#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnc n LEU 58 N 0.00 1.94 -0.98 1.08 -0.00 -1.26 -3.68 117.00 114.10 2pnc n LEU 58 Ca 0.00 -0.64 0.11 0.00 -0.00 0.00 0.00 56.01 55.48 2pnc n LEU 58 Cb 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 43.42 43.55 2pnc n LEU 58 CO 0.00 0.33 0.64 0.49 -0.00 0.00 0.00 177.39 178.85 2pnc n PHE 59 N 0.42 0.21 -2.11 1.47 3.72 -1.26 -4.77 117.46 115.14 2pnc n PHE 59 Ca 0.16 -0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 2pnc n PHE 59 Cb 0.44 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.95 2pnc n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pnc s ALA 60 N -1.66 3.56 0.52 4.37 0.00 -1.24 -4.82 121.76 122.49 2pnc s ALA 60 Ca 0.31 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 53.28 2pnc s ALA 60 Cb 0.20 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2pnc s ALA 60 CO 0.29 -0.64 1.31 -0.51 0.00 0.00 0.00 175.76 176.21 2pnc s ASP 61 N 0.11 5.48 0.14 0.00 -0.00 -1.26 -4.88 116.67 116.26 2pnc s ASP 61 Ca 0.56 2.66 -0.35 0.00 -0.00 0.00 0.00 52.55 55.42 2pnc s ASP 61 Cb -0.40 -2.63 -0.16 0.00 -0.00 0.00 0.00 42.92 39.74 2pnc s ASP 61 CO 0.44 -1.41 1.36 0.18 -0.00 0.00 0.00 175.17 175.73 2pnc n LEU 62 N -0.89 2.07 -4.79 1.23 4.77 -1.26 -4.95 117.00 113.16 2pnc n LEU 62 Ca 0.10 1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 2pnc n LEU 62 Cb 0.46 -1.27 0.15 0.00 -2.33 0.00 0.00 43.42 40.42 2pnc n LEU 62 CO 0.52 -0.89 0.73 -0.94 -1.33 0.00 0.00 177.39 175.48 2pnc s SER 63 N 0.44 3.31 0.23 -1.43 1.04 -1.26 -4.72 113.70 111.31 2pnc s SER 63 Ca 0.79 0.85 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 2pnc s SER 63 Cb -0.84 -1.33 0.19 0.00 0.10 0.00 0.00 66.02 64.14 2pnc s SER 63 CO 0.46 -2.66 1.84 -0.09 0.98 0.00 0.00 173.24 173.77 2pnc h ARG 64 N -1.58 1.24 -0.46 4.02 2.43 -1.95 0.19 114.38 118.28 2pnc h ARG 64 Ca -0.49 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2pnc h ARG 64 Cb 1.32 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2pnc h ARG 64 CO 0.57 0.93 0.29 1.49 -1.51 0.00 0.00 179.97 181.74 2pnc h GLU 65 N 1.23 0.61 -0.45 0.20 4.81 -2.00 -0.94 114.58 118.04 2pnc h GLU 65 Ca 0.30 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2pnc h GLU 65 Cb 0.07 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2pnc h GLU 65 CO -0.04 0.43 0.08 0.93 -0.73 0.00 0.00 179.01 179.68 2pnc h GLU 66 N 0.61 0.75 -0.67 1.92 5.08 -1.82 -2.27 114.58 118.18 2pnc h GLU 66 Ca 0.17 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2pnc h GLU 66 Cb -0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2pnc h GLU 66 CO -0.03 0.76 0.44 -0.07 -1.00 0.00 0.00 179.01 179.11 2pnc h LEU 67 N 0.61 0.77 -0.18 1.33 -0.00 -0.38 -2.09 115.31 115.37 2pnc h LEU 67 Ca 0.14 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 2pnc h LEU 67 Cb 0.37 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2pnc h LEU 67 CO 0.01 0.55 -0.12 0.74 -0.00 0.00 0.00 178.44 179.62 2pnc h THR 68 N 0.90 1.32 -0.75 0.22 2.02 -0.99 -2.89 112.91 112.74 2pnc h THR 68 Ca 0.24 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 2pnc h THR 68 Cb -0.11 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2pnc h THR 68 CO -0.05 0.37 0.25 0.74 0.37 0.00 0.00 175.52 177.19 2pnc h THR 69 N 0.08 1.26 -0.59 3.16 2.02 -1.16 -1.50 112.91 116.19 2pnc h THR 69 Ca 0.04 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2pnc h THR 69 Cb 0.63 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2pnc h THR 69 CO 0.03 0.35 0.17 0.58 0.37 0.00 0.00 175.52 177.02 2pnc h VAL 70 N 1.11 1.24 -0.90 3.16 2.07 -1.43 -0.38 116.25 121.12 2pnc h VAL 70 Ca 0.24 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2pnc h VAL 70 Cb 0.29 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2pnc h VAL 70 CO -0.01 0.32 0.50 0.24 0.02 0.00 0.00 177.57 178.64 2pnc h MET 71 N 0.83 1.25 -0.06 1.57 2.86 -1.26 0.19 114.93 120.32 2pnc h MET 71 Ca 0.19 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2pnc h MET 71 Cb 0.31 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2pnc h MET 71 CO -0.00 0.91 0.02 0.77 1.06 0.00 0.00 176.91 179.67 2pnc h SER 72 N 1.26 0.08 -0.84 1.22 0.02 -0.93 -0.61 113.55 113.75 2pnc h SER 72 Ca 0.32 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2pnc h SER 72 Cb 0.02 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2pnc h SER 72 CO -0.05 0.26 0.54 0.15 -1.14 0.00 0.00 176.83 176.59 2pnc h PHE 73 N -0.10 1.09 -0.20 3.45 3.04 -0.84 -1.65 116.94 121.73 2pnc h PHE 73 Ca 0.02 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2pnc h PHE 73 Cb 0.21 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2pnc h PHE 73 CO -0.01 0.70 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.74 2pnc h LEU 74 N 1.15 0.33 -0.23 0.59 3.38 -0.47 -2.08 115.31 117.97 2pnc h LEU 74 Ca 0.31 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 2pnc h LEU 74 Cb -0.09 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2pnc h LEU 74 CO -0.06 0.53 -0.80 0.74 0.09 0.00 0.00 178.44 178.94 2pnc h THR 75 N 0.31 1.32 -0.52 0.22 2.02 -0.63 -1.98 112.91 113.64 2pnc h THR 75 Ca 0.06 -2.08 -0.10 0.00 0.77 0.00 0.00 66.41 65.05 2pnc h THR 75 Cb 0.51 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 2pnc h THR 75 CO 0.03 0.65 -0.07 -0.61 0.37 0.00 0.00 175.52 175.88 2pnc h GLN 76 N 0.42 0.97 0.16 6.66 4.15 -1.13 -3.30 115.11 123.05 2pnc h GLN 76 Ca -0.05 -0.35 -0.30 0.00 0.77 0.00 0.00 58.65 58.71 2pnc h GLN 76 Cb 1.41 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 29.05 2pnc h GLN 76 CO 0.15 1.02 -1.41 1.96 -1.93 0.00 0.00 178.83 178.62 2pnc h GLN 77 N 0.84 0.34 -1.86 1.69 1.08 -1.43 -3.36 115.11 112.41 2pnc h GLN 77 Ca 0.14 -0.58 -0.41 0.00 -1.45 0.00 0.00 58.65 56.35 2pnc h GLN 77 Cb 0.63 0.22 -0.15 0.00 -0.05 0.00 0.00 27.48 28.12 2pnc h GLN 77 CO 0.04 1.25 0.31 1.28 -0.95 0.00 0.00 178.83 180.77 2pnc n LEU 78 N -3.56 6.33 0.00 1.46 4.77 -0.75 -5.00 117.00 120.25 2pnc n LEU 78 Ca -0.14 -3.73 0.07 0.00 -0.03 0.00 0.00 56.01 52.19 2pnc n LEU 78 Cb 1.05 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2pnc n LEU 78 CO 0.55 1.57 -0.10 0.61 -1.33 0.00 0.00 177.39 178.69 2pnc n GLY 79 N 0.90 -1.16 1.35 -0.72 0.00 -1.26 -4.16 105.19 100.15 2pnc n GLY 79 Ca 0.42 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2pnc n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pnc n PRO 80 N -2.62 3.20 -0.25 1.61 -0.04 -1.26 -4.35 135.00 131.29 2pnc n PRO 80 Ca 0.00 -2.37 0.07 0.00 -0.04 0.00 0.00 63.50 61.17 2pnc n PRO 80 Cb 0.25 -1.76 0.20 0.00 -0.04 0.00 0.00 33.50 32.14 2pnc n PRO 80 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pnc n ASP 81 N 0.95 3.25 -4.76 3.54 3.85 -1.26 -4.99 116.55 117.12 2pnc n ASP 81 Ca 0.21 -2.09 -0.35 0.00 -0.71 0.00 0.00 54.79 51.86 2pnc n ASP 81 Cb 0.74 -0.31 0.03 0.00 -1.35 0.00 0.00 41.12 40.23 2pnc n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2pnc s LEU 82 N -1.16 3.60 0.06 -2.12 1.43 -1.26 -4.48 118.68 114.76 2pnc s LEU 82 Ca 0.30 2.20 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 2pnc s LEU 82 Cb 0.17 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 2pnc s LEU 82 CO 0.19 -1.50 -0.15 -0.69 0.23 0.00 0.00 176.35 174.43 2pnc s VAL 83 N -1.89 1.15 0.04 -1.59 1.01 0.45 -5.00 120.40 114.57 2pnc s VAL 83 Ca 0.73 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2pnc s VAL 83 Cb -0.25 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 2pnc s VAL 83 CO 0.34 -0.14 1.89 -0.62 0.00 0.00 0.00 175.10 176.57 2pnc s ASP 84 N -1.56 6.48 0.60 3.32 3.68 -1.26 -4.26 116.67 123.68 2pnc s ASP 84 Ca -0.00 2.63 0.30 0.00 2.13 0.00 0.00 52.55 57.61 2pnc s ASP 84 Cb -0.09 -2.54 1.69 0.00 -1.45 0.00 0.00 42.92 40.53 2pnc s ASP 84 CO 0.02 -1.02 2.08 0.00 0.13 0.00 0.00 175.17 176.37 2pnc h ALA 85 N 9.99 1.74 0.00 3.66 0.00 -1.84 -0.53 119.26 132.28 2pnc h ALA 85 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2pnc h ALA 85 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pnc h ALA 85 CO 0.94 -0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2pnc h ALA 86 N 1.70 1.39 0.00 0.00 0.00 -1.87 -3.15 119.26 117.33 2pnc h ALA 86 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnc h ALA 86 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2pnc h ALA 86 CO -0.00 0.12 -0.18 1.04 0.00 0.00 0.00 179.25 180.23 2pnc n GLN 87 N -3.78 0.88 -2.97 0.00 1.13 -0.24 -4.38 117.38 108.03 2pnc n GLN 87 Ca -0.02 -1.83 -0.40 0.00 -1.94 0.00 0.00 57.00 52.82 2pnc n GLN 87 Cb 0.20 -1.05 -0.06 0.00 0.11 0.00 0.00 30.24 29.44 2pnc n GLN 87 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pnc s ALA 88 N -1.56 3.43 0.40 -1.58 0.00 -1.02 -4.97 121.76 116.45 2pnc s ALA 88 Ca 0.17 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.49 2pnc s ALA 88 Cb 0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 2pnc s ALA 88 CO 0.02 0.25 0.60 1.03 0.00 0.00 0.00 175.76 177.66 2pnc s ARG 89 N -0.94 3.27 0.43 0.00 3.00 -1.26 -4.66 118.95 118.79 2pnc s ARG 89 Ca 0.37 -0.44 0.20 0.00 0.00 0.00 0.00 55.73 55.86 2pnc s ARG 89 Cb -0.23 -2.62 1.16 0.00 0.00 0.00 0.00 34.95 33.26 2pnc s ARG 89 CO 0.26 -0.06 1.82 -1.35 0.00 0.00 0.00 175.30 175.98 2pnc h PRO 90 N 0.59 0.33 -0.00 3.54 0.11 -1.93 0.17 132.00 134.80 2pnc h PRO 90 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pnc h PRO 90 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2pnc h PRO 90 CO 0.59 0.22 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.43 2pnc n SER 91 N -4.51 0.21 -4.91 -2.05 3.41 -1.25 -4.27 113.62 100.25 2pnc n SER 91 Ca 0.22 -0.51 -0.27 0.00 -0.26 0.00 0.00 58.87 58.05 2pnc n SER 91 Cb 0.83 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.67 2pnc n SER 91 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pnc s ASP 92 N -2.40 5.51 -0.14 4.04 1.01 0.58 -2.27 116.67 123.00 2pnc s ASP 92 Ca 0.33 0.78 -0.04 0.00 0.71 0.00 0.00 52.55 54.33 2pnc s ASP 92 Cb 0.21 -1.71 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 2pnc s ASP 92 CO 0.44 -1.15 -0.01 0.20 0.21 0.00 0.00 175.17 174.86 2pnc s ASN 93 N -4.33 5.09 0.11 0.27 0.01 -1.26 -2.43 114.94 112.40 2pnc s ASN 93 Ca 0.55 -0.01 -0.17 0.00 -0.71 0.00 0.00 52.86 52.52 2pnc s ASN 93 Cb -0.11 -1.75 0.04 0.00 0.41 0.00 0.00 41.25 39.85 2pnc s ASN 93 CO 0.46 0.22 0.42 0.00 -1.51 0.00 0.00 177.10 176.69 2pnc s VAL 95 N -3.56 4.79 0.15 0.00 1.01 -1.26 -1.59 120.40 119.94 2pnc s VAL 95 Ca 0.01 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 2pnc s VAL 95 Cb 0.01 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2pnc s VAL 95 CO -0.10 -0.61 1.61 0.15 0.00 0.00 0.00 175.10 176.15 2pnc h PHE 96 N 8.88 0.96 -2.34 5.22 3.04 -0.87 -3.40 116.94 128.42 2pnc h PHE 96 Ca -0.25 -0.16 0.07 0.00 3.98 0.00 0.00 57.97 61.61 2pnc h PHE 96 Cb 1.09 -0.25 -0.16 0.00 2.56 0.00 0.00 35.95 39.20 2pnc h PHE 96 CO 0.74 0.89 0.42 -1.54 -2.02 0.00 0.00 178.31 176.80 2pnc s SER 97 N -6.35 -0.43 -0.04 0.41 1.04 -1.17 0.35 113.70 107.52 2pnc s SER 97 Ca -0.12 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2pnc s SER 97 Cb 0.12 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2pnc s SER 97 CO 0.82 -0.66 0.04 -0.69 0.98 0.00 0.00 173.24 173.73 2pnc s VAL 98 N -2.91 -0.04 0.25 5.02 1.01 -0.69 -1.43 120.40 121.61 2pnc s VAL 98 Ca 0.02 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 2pnc s VAL 98 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 2pnc s VAL 98 CO -0.07 0.16 0.40 -1.83 0.00 0.00 0.00 175.10 173.75 2pnc s GLU 99 N 1.75 1.53 0.26 2.72 -1.05 -0.76 -4.05 118.70 119.10 2pnc s GLU 99 Ca -0.00 -1.42 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 2pnc s GLU 99 Cb -0.12 0.42 -0.13 0.00 -0.44 0.00 0.00 34.13 33.85 2pnc s GLU 99 CO -0.03 -0.61 1.35 -0.11 0.95 0.00 0.00 175.26 176.80 2pnc n LEU 100 N -0.39 3.02 -4.52 1.83 7.94 -1.26 0.13 117.00 123.76 2pnc n LEU 100 Ca -0.00 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 2pnc n LEU 100 Cb 0.63 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.09 2pnc n LEU 100 CO 0.26 -0.59 0.30 -1.58 -1.11 0.00 0.00 177.39 174.68 2pnc s GLN 101 N -0.75 3.29 0.08 1.96 2.00 -0.20 -4.49 119.66 121.55 2pnc s GLN 101 Ca 0.65 -0.42 -0.35 0.00 -2.00 0.00 0.00 55.36 53.24 2pnc s GLN 101 Cb -0.65 -3.94 -0.14 0.00 0.80 0.00 0.00 33.01 29.08 2pnc s GLN 101 CO 0.53 -0.93 1.59 1.28 -0.50 0.00 0.00 175.29 177.25 2pnc n LEU 102 N 6.06 2.80 -4.77 3.68 4.32 -1.26 -4.52 117.00 123.30 2pnc n LEU 102 Ca -0.03 1.07 -0.32 0.00 -0.02 0.00 0.00 56.01 56.71 2pnc n LEU 102 Cb 0.48 -1.35 0.06 0.00 -1.62 0.00 0.00 43.42 40.99 2pnc n LEU 102 CO 0.51 -0.42 0.72 -2.16 -1.22 0.00 0.00 177.39 174.82 2pnc s PRO 103 N 1.48 2.65 0.27 3.23 0.04 -1.26 -4.98 135.00 136.42 2pnc s PRO 103 Ca 0.83 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 2pnc s PRO 103 Cb -0.76 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 2pnc s PRO 103 CO 0.43 -1.35 1.54 -2.14 0.04 0.00 0.00 177.00 175.52 2pnc s PRO 104 N -4.44 4.18 0.13 0.56 0.02 -1.26 -4.91 135.00 129.28 2pnc s PRO 104 Ca 0.64 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.98 2pnc s PRO 104 Cb -0.19 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 2pnc s PRO 104 CO 0.47 -0.56 1.67 -0.22 -0.33 0.00 0.00 177.00 178.04 2pnc h LYS 105 N 5.02 0.63 -0.69 5.54 3.64 -1.98 -0.59 116.57 128.14 2pnc h LYS 105 Ca -0.46 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2pnc h LYS 105 Cb 1.22 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 2pnc h LYS 105 CO 0.79 0.60 0.36 0.00 -2.27 0.00 0.00 179.45 178.93 2pnc h ALA 106 N 1.00 0.93 -0.10 5.00 0.00 -1.99 0.21 119.26 124.31 2pnc h ALA 106 Ca 0.14 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 2pnc h ALA 106 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pnc h ALA 106 CO -0.01 -0.01 -0.78 0.00 0.00 0.00 0.00 179.25 178.45 2pnc h ALA 107 N 1.39 0.42 -0.12 0.00 0.00 -1.92 -1.54 119.26 117.50 2pnc h ALA 107 Ca 0.33 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2pnc h ALA 107 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pnc h ALA 107 CO -0.23 0.73 0.05 0.00 0.00 0.00 0.00 179.25 179.80 2pnc h ALA 108 N 0.72 0.16 -0.57 0.00 0.00 -0.47 -1.28 119.26 117.82 2pnc h ALA 108 Ca -0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2pnc h ALA 108 Cb 1.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2pnc h ALA 108 CO 0.15 -0.27 -0.06 -0.07 0.00 0.00 0.00 179.25 179.00 2pnc h LEU 109 N 0.05 1.04 -0.93 0.00 3.38 -0.65 -0.94 115.31 117.26 2pnc h LEU 109 Ca 0.04 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2pnc h LEU 109 Cb 0.14 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2pnc h LEU 109 CO -0.00 1.13 0.60 0.00 0.09 0.00 0.00 178.44 180.25 2pnc h ALA 110 N 0.95 1.25 -0.11 1.53 0.00 -1.17 0.76 119.26 122.47 2pnc h ALA 110 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pnc h ALA 110 Cb 0.63 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pnc h ALA 110 CO 0.04 0.43 -0.03 1.25 0.00 0.00 0.00 179.25 180.94 2pnc h HIS 111 N 1.13 0.24 -0.35 0.00 -0.00 -0.96 -0.05 115.15 115.16 2pnc h HIS 111 Ca 0.38 -0.05 -0.17 0.00 -0.00 0.00 0.00 60.37 60.53 2pnc h HIS 111 Cb 0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2pnc h HIS 111 CO -0.01 0.53 -0.44 -0.07 -0.00 0.00 0.00 177.93 177.94 2pnc h LEU 112 N -0.11 0.99 0.00 0.26 3.38 -0.73 -2.90 115.31 116.20 2pnc h LEU 112 Ca 0.03 -0.48 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 2pnc h LEU 112 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2pnc h LEU 112 CO 0.01 1.28 -1.68 0.47 0.09 0.00 0.00 178.44 178.61 2pnc n ASP 113 N -4.04 1.89 -1.14 -0.43 8.00 0.26 -4.55 116.55 116.54 2pnc n ASP 113 Ca -0.03 0.40 0.11 0.00 0.71 0.00 0.00 54.79 55.98 2pnc n ASP 113 Cb 0.57 -0.91 0.27 0.00 -0.02 0.00 0.00 41.12 41.03 2pnc n ASP 113 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pnc n ARG 114 N -4.38 2.45 -1.00 -1.24 1.74 -0.09 -4.94 116.66 109.22 2pnc n ARG 114 Ca -0.39 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 2pnc n ARG 114 Cb 0.73 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2pnc n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 115 N 1.50 0.19 3.70 -0.13 0.00 -0.85 -4.93 105.19 104.66 2pnc n GLY 115 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2pnc n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnc s SER 116 N -2.00 3.65 0.57 1.61 0.01 -0.92 -4.93 113.70 111.68 2pnc s SER 116 Ca 0.00 2.32 -0.21 0.00 1.31 0.00 0.00 55.95 59.37 2pnc s SER 116 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2pnc s SER 116 CO 0.00 -2.63 1.32 -2.65 0.41 0.00 0.00 173.24 169.69 2pnc n PRO 117 N -3.32 1.55 -1.83 12.44 -0.02 -1.26 -4.10 135.00 138.46 2pnc n PRO 117 Ca 0.13 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 2pnc n PRO 117 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2pnc n PRO 117 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2pnc s PRO 118 N -2.95 3.97 0.71 0.52 0.02 -1.26 -4.65 135.00 131.36 2pnc s PRO 118 Ca 0.74 2.48 -0.15 0.00 0.02 0.00 0.00 61.00 64.09 2pnc s PRO 118 Cb -0.41 -2.86 0.03 0.00 0.02 0.00 0.00 34.50 31.28 2pnc s PRO 118 CO 0.48 -0.61 1.15 -1.25 -0.33 0.00 0.00 177.00 176.44 2pnc s PRO 119 N -2.21 2.39 0.08 5.54 0.04 -1.26 -4.90 135.00 134.68 2pnc s PRO 119 Ca 0.55 1.55 -0.35 0.00 0.04 0.00 0.00 61.00 62.79 2pnc s PRO 119 Cb -0.45 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 2pnc s PRO 119 CO 0.60 -1.60 1.57 0.00 0.04 0.00 0.00 177.00 177.61 2pnc n ALA 120 N -2.70 0.61 -2.64 8.56 0.00 -1.26 -4.92 120.51 118.16 2pnc n ALA 120 Ca 0.12 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2pnc n ALA 120 Cb 0.51 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 2pnc n ALA 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pnc s ARG 121 N 1.45 4.14 0.26 0.00 3.52 -1.26 -4.96 118.95 122.11 2pnc s ARG 121 Ca 0.84 0.92 0.05 0.00 -0.13 0.00 0.00 55.73 57.41 2pnc s ARG 121 Cb -0.77 -3.66 -0.06 0.00 -1.56 0.00 0.00 34.95 28.90 2pnc s ARG 121 CO 0.44 -0.58 -0.02 -1.21 -0.81 0.00 0.00 175.30 173.12 2pnc s GLU 122 N 2.94 1.47 0.19 5.12 2.02 -1.26 -0.20 118.70 128.98 2pnc s GLU 122 Ca 0.36 -1.75 0.09 0.00 0.02 0.00 0.00 54.97 53.69 2pnc s GLU 122 Cb -0.15 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 2pnc s GLU 122 CO 0.09 -0.04 -0.19 0.00 0.02 0.00 0.00 175.26 175.13 2pnc s ALA 123 N -3.22 2.19 -0.20 5.21 0.00 0.36 -1.03 121.76 125.07 2pnc s ALA 123 Ca 0.30 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2pnc s ALA 123 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2pnc s ALA 123 CO 0.11 0.25 -0.12 -1.17 0.00 0.00 0.00 175.76 174.83 2pnc s LEU 124 N -2.88 2.56 -0.19 0.00 2.96 0.35 -0.63 118.68 120.87 2pnc s LEU 124 Ca 0.19 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2pnc s LEU 124 Cb -0.05 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2pnc s LEU 124 CO 0.08 0.01 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2pnc s ALA 125 N 1.30 2.95 -0.30 5.97 0.00 -0.06 -1.82 121.76 129.79 2pnc s ALA 125 Ca 0.04 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2pnc s ALA 125 Cb -0.14 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2pnc s ALA 125 CO -0.06 -0.07 0.37 0.42 0.00 0.00 0.00 175.76 176.42 2pnc s ILE 126 N 0.86 5.16 -0.17 0.00 1.01 -0.51 -0.92 121.20 126.64 2pnc s ILE 126 Ca -0.00 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 2pnc s ILE 126 Cb -0.14 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 2pnc s ILE 126 CO 0.02 0.05 -0.14 -0.69 0.00 0.00 0.00 174.94 174.17 2pnc s VAL 127 N 2.07 2.71 -0.56 2.92 1.01 0.33 -0.10 120.40 128.78 2pnc s VAL 127 Ca 0.14 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2pnc s VAL 127 Cb -0.16 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2pnc s VAL 127 CO 0.11 0.50 1.04 -0.36 0.00 0.00 0.00 175.10 176.39 2pnc s PHE 128 N 0.97 2.73 -1.16 5.22 2.99 -0.62 -0.67 117.98 127.44 2pnc s PHE 128 Ca -0.02 0.18 -0.07 0.00 0.00 0.00 0.00 56.93 57.02 2pnc s PHE 128 Cb -0.15 -4.24 0.25 0.00 0.00 0.00 0.00 43.02 38.88 2pnc s PHE 128 CO -0.02 -1.43 1.61 1.19 -0.00 0.00 0.00 175.22 176.57 2pnc n PHE 129 N 7.84 2.77 1.62 0.36 3.01 0.66 -2.52 117.46 131.19 2pnc n PHE 129 Ca 0.05 -2.76 0.15 0.00 1.01 0.00 0.00 57.45 55.90 2pnc n PHE 129 Cb 0.48 -1.57 0.69 0.00 -0.01 0.00 0.00 39.48 39.07 2pnc n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnc n GLY 130 N 2.05 -0.69 2.94 1.37 0.00 -1.02 -2.28 105.19 107.56 2pnc n GLY 130 Ca 0.31 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2pnc n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 131 N 1.16 4.92 3.63 -0.02 0.00 -0.96 -4.30 105.19 109.63 2pnc n GLY 131 Ca 0.19 -2.67 -0.03 0.00 0.00 0.00 0.00 46.02 43.51 2pnc n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pnc s GLN 132 N -2.46 0.09 0.30 1.61 -2.07 -1.26 -4.95 119.66 110.92 2pnc s GLN 132 Ca 0.32 -0.03 0.01 0.00 -1.82 0.00 0.00 55.36 53.85 2pnc s GLN 132 Cb 0.04 0.04 0.73 0.00 -1.09 0.00 0.00 33.01 32.73 2pnc s GLN 132 CO 0.05 -0.04 1.59 -1.35 -1.32 0.00 0.00 175.29 174.22 2pnc h PRO 133 N 2.01 0.05 -3.26 9.60 0.11 -1.96 -3.25 132.00 135.30 2pnc h PRO 133 Ca -0.04 -0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.44 2pnc h PRO 133 Cb 1.14 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 2pnc h PRO 133 CO 0.20 0.03 -0.71 1.14 -0.21 0.00 0.00 178.00 178.46 2pnc s GLN 134 N -5.99 1.45 0.33 1.05 -2.07 -1.26 -5.11 119.66 108.05 2pnc s GLN 134 Ca -0.13 -2.09 -0.29 0.00 -1.82 0.00 0.00 55.36 51.03 2pnc s GLN 134 Cb 0.28 -2.65 -0.10 0.00 -1.09 0.00 0.00 33.01 29.45 2pnc s GLN 134 CO 0.77 -1.12 1.35 -2.14 -1.32 0.00 0.00 175.29 172.83 2pnc s PRO 135 N 0.31 4.31 0.28 9.60 0.02 -1.23 -5.05 135.00 143.24 2pnc s PRO 135 Ca 0.16 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 2pnc s PRO 135 Cb -0.24 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 2pnc s PRO 135 CO -0.02 -0.26 0.35 0.54 -0.33 0.00 0.00 177.00 177.28 2pnc s ASN 136 N -0.36 0.60 -0.17 2.53 2.20 -0.97 -4.11 114.94 114.66 2pnc s ASN 136 Ca 0.50 -1.38 -0.04 0.00 -0.94 0.00 0.00 52.86 51.00 2pnc s ASN 136 Cb -0.41 0.55 -0.03 0.00 -2.00 0.00 0.00 41.25 39.37 2pnc s ASN 136 CO 0.54 -1.10 -0.02 -0.69 -2.94 0.00 0.00 177.10 172.89 2pnc s VAL 137 N -3.63 3.93 -0.07 3.54 1.01 -0.50 -0.24 120.40 124.44 2pnc s VAL 137 Ca 0.33 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2pnc s VAL 137 Cb 0.02 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2pnc s VAL 137 CO 0.17 0.47 -0.19 -0.89 0.00 0.00 0.00 175.10 174.66 2pnc s THR 138 N 0.61 2.61 -0.26 3.92 2.01 0.16 -4.03 115.64 120.66 2pnc s THR 138 Ca -0.02 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 2pnc s THR 138 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2pnc s THR 138 CO 0.02 0.57 0.14 -1.61 -0.69 0.00 0.00 174.62 173.05 2pnc s GLU 139 N -0.25 3.85 -0.11 4.92 2.02 -1.26 -0.51 118.70 127.36 2pnc s GLU 139 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.63 2pnc s GLU 139 Cb -0.13 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 2pnc s GLU 139 CO 0.03 -0.16 -0.16 -0.51 0.02 0.00 0.00 175.26 174.49 2pnc s LEU 140 N 1.63 2.59 -0.34 1.80 1.43 -0.09 -1.36 118.68 124.34 2pnc s LEU 140 Ca 0.07 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 2pnc s LEU 140 Cb -0.15 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2pnc s LEU 140 CO 0.08 0.21 0.53 -0.69 0.23 0.00 0.00 176.35 176.70 2pnc s VAL 141 N 0.10 5.00 -0.14 -1.59 1.01 0.34 -0.88 120.40 124.24 2pnc s VAL 141 Ca -0.07 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 2pnc s VAL 141 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2pnc s VAL 141 CO 0.05 -0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.23 2pnc s VAL 142 N 2.43 3.97 -0.05 2.92 1.01 0.20 -1.98 120.40 128.90 2pnc s VAL 142 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2pnc s VAL 142 Cb -0.15 -2.73 0.10 0.00 0.00 0.00 0.00 36.38 33.60 2pnc s VAL 142 CO 0.13 0.51 1.32 -0.83 0.00 0.00 0.00 175.10 176.23 2pnc s GLY 143 N 0.15 -0.19 0.18 4.51 0.00 -1.17 -0.49 107.32 110.31 2pnc s GLY 143 Ca -0.01 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 2pnc s GLY 143 CO 0.03 5.44 0.52 2.56 0.00 0.00 0.00 173.10 181.65 2pnc s PRO 144 N -2.04 3.85 0.45 2.90 0.04 -1.26 -1.26 135.00 137.68 2pnc s PRO 144 Ca 0.29 0.32 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 2pnc s PRO 144 Cb 0.00 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 2pnc s PRO 144 CO -0.02 0.41 0.99 -0.51 0.04 0.00 0.00 177.00 177.91 2pnc s LEU 145 N -2.41 3.92 0.46 -3.56 1.43 0.72 -2.00 118.68 117.25 2pnc s LEU 145 Ca 0.42 1.82 0.25 0.00 -1.03 0.00 0.00 54.13 55.60 2pnc s LEU 145 Cb -0.13 -4.51 0.59 0.00 0.03 0.00 0.00 46.19 42.17 2pnc s LEU 145 CO 0.20 -0.54 1.70 1.55 0.23 0.00 0.00 176.35 179.49 2pnc h PRO 146 N 1.83 0.00 -4.61 1.29 0.13 -2.02 -3.41 132.00 125.21 2pnc h PRO 146 Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 2pnc h PRO 146 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 2pnc h PRO 146 CO 0.60 0.02 -0.64 -1.14 -0.23 0.00 0.00 178.00 176.61 2pnc s GLN 147 N -3.32 1.87 0.56 0.86 2.00 -0.88 -4.94 119.66 115.81 2pnc s GLN 147 Ca 0.05 -1.76 -0.20 0.00 -2.00 0.00 0.00 55.36 51.46 2pnc s GLN 147 Cb 0.06 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 30.45 2pnc s GLN 147 CO 0.64 -0.95 1.19 -2.14 -0.50 0.00 0.00 175.29 173.53 2pnc s PRO 148 N 1.06 3.18 0.00 1.67 0.02 -0.85 -4.11 135.00 135.98 2pnc s PRO 148 Ca 0.07 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2pnc s PRO 148 Cb -0.21 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2pnc s PRO 148 CO -0.05 -1.03 0.00 -1.13 -0.33 0.00 0.00 177.00 174.46 2pnc n SER 149 N -1.35 0.08 -4.50 2.53 3.41 -0.39 -4.82 113.62 108.58 2pnc n SER 149 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.49 2pnc n SER 149 Cb 0.50 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2pnc n SER 149 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2pnc s TYR 150 N -0.17 2.22 -0.43 7.33 -0.85 -0.67 -5.04 117.35 119.74 2pnc s TYR 150 Ca 0.00 -0.60 0.07 0.00 -0.52 0.00 0.00 57.07 56.01 2pnc s TYR 150 Cb 0.00 -1.30 0.18 0.00 0.38 0.00 0.00 41.96 41.22 2pnc s TYR 150 CO 0.00 0.44 0.59 1.41 -1.52 0.00 0.00 175.55 176.46 2pnc s MET 151 N -3.67 0.85 -0.03 -3.49 1.75 -1.26 -3.06 119.30 110.40 2pnc s MET 151 Ca 0.32 -0.70 -0.06 0.00 -1.25 0.00 0.00 55.69 53.99 2pnc s MET 151 Cb 0.04 -0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.46 2pnc s MET 151 CO 0.15 -1.24 0.22 -0.98 -0.65 0.00 0.00 175.02 172.52 2pnc s ARG 152 N 1.40 3.52 -0.38 4.11 1.70 -0.84 -4.85 118.95 123.62 2pnc s ARG 152 Ca 0.21 -0.13 -0.24 0.00 -0.47 0.00 0.00 55.73 55.10 2pnc s ARG 152 Cb -0.05 -3.12 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 2pnc s ARG 152 CO -0.06 0.69 0.83 0.34 -1.08 0.00 0.00 175.30 176.02 2pnc s ASP 153 N -1.55 6.57 -0.11 -2.89 3.68 -1.26 -0.51 116.67 120.59 2pnc s ASP 153 Ca 0.24 0.35 0.16 0.00 2.13 0.00 0.00 52.55 55.43 2pnc s ASP 153 Cb -0.13 -2.42 0.59 0.00 -1.45 0.00 0.00 42.92 39.52 2pnc s ASP 153 CO 0.13 -0.81 1.51 1.33 0.13 0.00 0.00 175.17 177.46 2pnc n VAL 154 N 5.93 1.84 0.35 1.11 0.24 -0.46 -4.71 118.33 122.62 2pnc n VAL 154 Ca 0.04 -1.35 -0.16 0.00 -2.04 0.00 0.00 64.34 60.84 2pnc n VAL 154 Cb 0.48 0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.85 2pnc n VAL 154 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2pnc h THR 155 N 3.07 0.19 -0.72 3.34 2.02 -1.91 -0.51 112.91 118.40 2pnc h THR 155 Ca 0.00 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2pnc h THR 155 Cb 1.34 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2pnc h THR 155 CO 0.20 0.02 0.31 0.58 0.37 0.00 0.00 175.52 177.00 2pnc h VAL 156 N -1.11 1.24 -0.12 3.16 2.07 -1.85 0.13 116.25 119.77 2pnc h VAL 156 Ca -0.09 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2pnc h VAL 156 Cb 0.73 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2pnc h VAL 156 CO 0.15 0.30 0.09 -0.08 0.02 0.00 0.00 177.57 178.05 2pnc h GLU 157 N 1.02 0.03 0.00 1.57 4.81 -1.84 0.31 114.58 120.47 2pnc h GLU 157 Ca 0.24 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.13 2pnc h GLU 157 Cb 0.18 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 2pnc h GLU 157 CO -0.02 0.02 -2.36 0.54 -0.73 0.00 0.00 179.01 176.46 2pnc n ARG 158 N -4.51 0.69 -0.09 1.92 1.74 -0.20 -4.63 116.66 111.57 2pnc n ARG 158 Ca -0.00 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.10 2pnc n ARG 158 Cb 0.19 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.18 2pnc n ARG 158 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pnc n HIS 159 N -2.71 0.00 -2.19 -1.55 8.25 0.40 -4.98 115.22 112.43 2pnc n HIS 159 Ca -0.31 -0.66 -0.20 0.00 -0.26 0.00 0.00 57.72 56.29 2pnc n HIS 159 Cb 1.11 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 2pnc n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pnc n GLY 160 N -0.89 0.12 0.00 -1.41 0.00 0.09 -4.79 105.19 98.31 2pnc n GLY 160 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2pnc n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 161 N -0.83 0.68 3.47 -0.02 0.00 -1.18 -5.01 105.19 102.30 2pnc n GLY 161 Ca -0.23 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 2pnc n GLY 161 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pnc n PRO 162 N -1.67 0.48 -3.39 1.61 -0.02 -1.26 -4.08 135.00 126.66 2pnc n PRO 162 Ca 0.00 0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 61.23 2pnc n PRO 162 Cb 0.00 -1.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 2pnc n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pnc s LEU 163 N 0.44 5.57 0.41 2.45 1.43 -1.26 -5.03 118.68 122.70 2pnc s LEU 163 Ca 0.68 -1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 2pnc s LEU 163 Cb -0.42 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.50 2pnc s LEU 163 CO 0.55 -0.63 0.88 -2.65 0.23 0.00 0.00 176.35 174.73 2pnc n PRO 164 N 5.22 1.11 0.26 1.29 -0.02 -1.26 -1.41 135.00 140.18 2pnc n PRO 164 Ca -0.12 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2pnc n PRO 164 Cb 0.44 -1.88 0.67 0.00 -0.02 0.00 0.00 33.50 32.71 2pnc n PRO 164 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2pnc h TYR 165 N 1.34 0.00 0.00 6.00 -0.00 -1.90 -2.48 116.97 119.93 2pnc h TYR 165 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 2pnc h TYR 165 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.09 2pnc h TYR 165 CO 0.42 0.14 0.00 2.48 -0.00 0.00 0.00 178.16 181.20 2pnc n TYR 166 N -3.53 0.00 0.07 -3.82 0.18 -1.26 -2.97 117.16 105.83 2pnc n TYR 166 Ca -0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.74 2pnc n TYR 166 Cb 0.29 -0.45 -0.06 0.00 -0.38 0.00 0.00 39.34 38.73 2pnc n TYR 166 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pnc h ARG 167 N 0.00 0.00 -6.49 -3.48 3.08 -1.73 -3.45 114.38 102.32 2pnc h ARG 167 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2pnc h ARG 167 Cb 0.35 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.50 2pnc h ARG 167 CO 0.00 0.64 0.25 2.89 -1.07 0.00 0.00 179.97 182.67 2pnc n ARG 168 N -3.19 1.47 -0.81 0.04 1.85 -1.16 -4.53 116.66 110.33 2pnc n ARG 168 Ca -0.03 0.52 -0.32 0.00 -1.00 0.00 0.00 57.85 57.02 2pnc n ARG 168 Cb 0.86 -1.96 0.15 0.00 -1.05 0.00 0.00 32.46 30.46 2pnc n ARG 168 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2pnc n PRO 169 N 1.05 -0.27 -2.59 2.89 -0.04 -1.26 -4.92 135.00 129.85 2pnc n PRO 169 Ca 0.10 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 2pnc n PRO 169 Cb 0.31 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 2pnc n PRO 169 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pnc s VAL 170 N -2.46 4.50 0.57 0.52 1.01 -1.26 -5.00 120.40 118.27 2pnc s VAL 170 Ca 0.68 1.77 -0.20 0.00 0.00 0.00 0.00 61.98 64.22 2pnc s VAL 170 Cb -0.25 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2pnc s VAL 170 CO 0.57 -0.33 1.21 -0.22 0.00 0.00 0.00 175.10 176.33 2pnc s LEU 171 N 3.56 3.73 0.41 3.92 2.96 -1.26 -4.84 118.68 127.15 2pnc s LEU 171 Ca 0.47 2.40 0.08 0.00 -0.22 0.00 0.00 54.13 56.86 2pnc s LEU 171 Cb -0.15 -4.53 0.88 0.00 0.50 0.00 0.00 46.19 42.89 2pnc s LEU 171 CO 0.13 -1.48 2.03 0.25 -1.32 0.00 0.00 176.35 175.96 2pnc h LEU 172 N 1.10 0.47 -1.14 -0.68 5.85 -1.91 0.14 115.31 119.15 2pnc h LEU 172 Ca -0.50 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 2pnc h LEU 172 Cb 1.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2pnc h LEU 172 CO 0.56 0.33 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.76 2pnc h ARG 173 N 0.55 0.44 -0.41 1.25 9.65 -1.85 -1.90 114.38 122.11 2pnc h ARG 173 Ca 0.19 -0.13 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 2pnc h ARG 173 Cb 0.08 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2pnc h ARG 173 CO -0.05 0.58 -0.26 1.49 2.80 0.00 0.00 179.97 184.53 2pnc h GLU 174 N 0.41 0.89 0.10 0.20 4.81 -1.03 -1.58 114.58 118.38 2pnc h GLU 174 Ca 0.08 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2pnc h GLU 174 Cb 0.49 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2pnc h GLU 174 CO 0.03 1.07 -0.05 1.88 -0.73 0.00 0.00 179.01 181.21 2pnc h TYR 175 N 0.71 -0.13 -0.88 0.92 0.99 -1.06 -1.50 116.97 116.02 2pnc h TYR 175 Ca 0.08 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.87 2pnc h TYR 175 Cb 0.83 0.04 -0.06 0.00 1.00 0.00 0.00 36.73 38.55 2pnc h TYR 175 CO 0.06 0.05 0.57 -0.07 -0.00 0.00 0.00 178.16 178.77 2pnc h LEU 176 N -0.28 0.89 -1.23 3.88 3.38 -1.33 0.45 115.31 121.07 2pnc h LEU 176 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2pnc h LEU 176 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2pnc h LEU 176 CO 0.02 0.58 -0.34 0.44 0.09 0.00 0.00 178.44 179.24 2pnc h ASP 177 N 1.01 0.08 0.03 -0.43 5.19 -1.14 -1.44 116.42 119.73 2pnc h ASP 177 Ca 0.37 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.56 2pnc h ASP 177 Cb 0.17 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2pnc h ASP 177 CO -0.13 0.42 -0.71 0.40 -3.12 0.00 0.00 179.24 176.10 2pnc h ILE 178 N 0.07 1.32 -0.28 0.35 2.04 0.08 -2.54 117.51 118.55 2pnc h ILE 178 Ca 0.01 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 2pnc h ILE 178 Cb 0.64 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2pnc h ILE 178 CO 0.05 0.62 0.09 0.44 0.00 0.00 0.00 178.15 179.35 2pnc h ASP 179 N 0.43 0.40 -0.10 1.72 3.32 -0.72 -0.81 116.42 120.65 2pnc h ASP 179 Ca -0.03 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.87 2pnc h ASP 179 Cb 1.31 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 2pnc h ASP 179 CO 0.14 0.49 -0.39 1.56 -1.72 0.00 0.00 179.24 179.32 2pnc h GLN 180 N 0.29 -0.46 -0.31 3.56 1.08 -1.27 0.19 115.11 118.18 2pnc h GLN 180 Ca 0.09 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 2pnc h GLN 180 Cb 0.23 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 2pnc h GLN 180 CO -0.00 -0.31 -0.11 1.98 -0.95 0.00 0.00 178.83 179.44 2pnc h MET 181 N -0.48 -0.05 -0.51 1.46 4.05 -1.33 0.57 114.93 118.63 2pnc h MET 181 Ca 0.08 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2pnc h MET 181 Cb 0.61 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 2pnc h MET 181 CO -0.37 -0.03 0.29 0.82 0.23 0.00 0.00 176.91 177.85 2pnc h ILE 182 N -0.05 1.01 0.00 1.77 2.04 -0.67 0.14 117.51 121.75 2pnc h ILE 182 Ca 0.16 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2pnc h ILE 182 Cb 0.29 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2pnc h ILE 182 CO -0.35 0.10 -0.54 -0.26 0.00 0.00 0.00 178.15 177.10 2pnc h PHE 183 N 0.57 0.00 0.00 1.37 -1.00 -0.02 0.13 116.94 117.98 2pnc h PHE 183 Ca 0.22 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.68 2pnc h PHE 183 Cb 0.07 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.57 2pnc h PHE 183 CO -0.08 0.00 -2.21 0.09 -1.61 0.00 0.00 178.31 174.50 2pnc n ASN 184 N -2.77 2.21 -0.08 2.17 5.03 0.19 -4.64 115.26 117.36 2pnc n ASN 184 Ca 0.02 -0.11 -0.10 0.00 0.87 0.00 0.00 54.58 55.27 2pnc n ASN 184 Cb 0.53 -0.23 -0.10 0.00 -1.02 0.00 0.00 39.78 38.96 2pnc n ASN 184 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2pnc n ARG 185 N -3.08 1.07 0.00 3.52 1.74 0.41 -4.77 116.66 115.55 2pnc n ARG 185 Ca -0.37 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2pnc n ARG 185 Cb 0.92 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2pnc n ARG 185 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2pnc n GLU 186 N -2.78 0.00 -0.25 5.56 -0.58 -0.67 -4.46 120.64 117.46 2pnc n GLU 186 Ca -0.28 0.18 0.04 0.00 -0.42 0.00 0.00 57.16 56.68 2pnc n GLU 186 Cb 0.91 -0.62 0.14 0.00 -0.57 0.00 0.00 31.44 31.30 2pnc n GLU 186 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pnc h LEU 187 N 0.00 -0.44 -1.82 -4.62 3.38 -1.01 0.48 115.31 111.29 2pnc h LEU 187 Ca 0.00 0.20 0.37 0.00 0.09 0.00 0.00 57.88 58.54 2pnc h LEU 187 Cb 0.00 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2pnc h LEU 187 CO 0.00 -0.20 0.90 -0.65 0.09 0.00 0.00 178.44 178.59 2pnc h PRO 188 N 0.07 0.08 0.00 1.13 0.11 -1.82 0.51 132.00 132.08 2pnc h PRO 188 Ca 0.39 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 2pnc h PRO 188 Cb 0.67 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 2pnc h PRO 188 CO -0.69 0.05 -0.08 1.96 -0.21 0.00 0.00 178.00 179.04 2pnc h GLN 189 N 0.08 0.00 -1.12 1.05 4.20 -1.11 -2.74 115.11 115.46 2pnc h GLN 189 Ca 0.65 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.79 2pnc h GLN 189 Cb 2.38 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 29.74 2pnc h GLN 189 CO -0.11 0.08 -0.72 0.00 -0.67 0.00 0.00 178.83 177.41 2pnc n ALA 190 N -2.26 5.09 -0.12 3.87 0.00 0.18 -4.42 120.51 122.83 2pnc n ALA 190 Ca -0.02 -4.04 -0.04 0.00 0.00 0.00 0.00 53.44 49.35 2pnc n ALA 190 Cb 0.19 -0.47 0.17 0.00 0.00 0.00 0.00 19.45 19.35 2pnc n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc h ALA 191 N 2.37 1.16 -0.38 0.00 0.00 -1.42 -2.71 119.26 118.28 2pnc h ALA 191 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2pnc h ALA 191 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2pnc h ALA 191 CO 0.82 0.56 0.13 0.78 0.00 0.00 0.00 179.25 181.54 2pnc h GLY 192 N 0.97 0.64 2.00 0.00 0.00 -1.87 -0.70 103.07 104.11 2pnc h GLY 192 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2pnc h GLY 192 CO 0.01 0.35 -0.63 -0.24 0.00 0.00 0.00 176.54 176.03 2pnc h VAL 193 N 0.47 1.27 0.02 4.60 3.04 -1.92 -3.07 116.25 120.67 2pnc h VAL 193 Ca 0.12 -2.30 -0.25 0.00 -1.01 0.00 0.00 66.70 63.26 2pnc h VAL 193 Cb 0.25 2.31 0.01 0.00 -2.01 0.00 0.00 31.29 31.84 2pnc h VAL 193 CO -0.00 0.62 -1.04 -0.07 -1.01 0.00 0.00 177.57 176.07 2pnc h LEU 194 N 0.00 0.70 -1.06 3.16 4.07 -1.33 -1.44 115.31 119.41 2pnc h LEU 194 Ca -0.01 -0.58 0.03 0.00 0.08 0.00 0.00 57.88 57.40 2pnc h LEU 194 Cb 1.26 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 42.72 2pnc h LEU 194 CO 0.08 1.39 0.63 0.45 -1.08 0.00 0.00 178.44 179.91 2pnc h HIS 195 N 0.28 1.18 0.01 1.13 3.86 -1.16 0.11 115.15 120.56 2pnc h HIS 195 Ca -0.11 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 2pnc h HIS 195 Cb 1.69 -0.39 0.01 0.00 1.06 0.00 0.00 27.41 29.77 2pnc h HIS 195 CO 0.08 0.69 -0.25 1.25 0.86 0.00 0.00 177.93 180.56 2pnc h HIS 196 N 1.22 0.23 -0.03 2.45 -0.00 -1.47 -2.77 115.15 114.79 2pnc h HIS 196 Ca 0.38 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.51 2pnc h HIS 196 Cb -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.39 2pnc h HIS 196 CO -0.00 0.97 -0.41 0.00 -0.00 0.00 0.00 177.93 178.49 2pnc n SER 199 N -0.20 -0.74 -4.63 0.00 2.88 -0.98 -4.55 113.62 105.40 2pnc n SER 199 Ca 0.08 -0.94 -0.63 0.00 -1.33 0.00 0.00 58.87 56.05 2pnc n SER 199 Cb 0.87 -1.20 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 2pnc n SER 199 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pnc n TYR 200 N -3.32 1.72 -2.33 0.66 9.36 -0.80 -1.88 117.16 120.56 2pnc n TYR 200 Ca -0.01 0.89 -0.02 0.00 3.32 0.00 0.00 57.90 62.07 2pnc n TYR 200 Cb 0.39 -2.31 -0.00 0.00 -0.63 0.00 0.00 39.34 36.79 2pnc n TYR 200 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2pnc n LYS 201 N 5.20 -2.65 -1.71 2.98 5.02 -1.26 -4.62 118.16 121.12 2pnc n LYS 201 Ca 0.35 0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 56.45 2pnc n LYS 201 Cb 0.00 -4.59 0.05 0.00 -0.02 0.00 0.00 35.03 30.47 2pnc n LYS 201 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pnc n GLN 202 N -2.41 3.09 -0.85 1.97 6.02 -0.79 -4.78 117.38 119.63 2pnc n GLN 202 Ca -0.03 -3.72 0.00 0.00 -0.01 0.00 0.00 57.00 53.24 2pnc n GLN 202 Cb 0.47 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.45 2pnc n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnc n GLY 203 N -0.78 0.53 2.05 1.08 0.00 -1.26 -5.05 105.19 101.74 2pnc n GLY 203 Ca 0.54 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2pnc n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 204 N -2.85 1.51 3.79 -0.02 0.00 -1.21 -5.08 105.19 101.32 2pnc n GLY 204 Ca 0.00 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 2pnc n GLY 204 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pnc s GLN 205 N -3.53 4.13 0.59 1.61 2.00 -1.26 -4.72 119.66 118.49 2pnc s GLN 205 Ca 0.33 1.40 -0.16 0.00 -2.00 0.00 0.00 55.36 54.93 2pnc s GLN 205 Cb -0.02 -2.41 -0.04 0.00 0.80 0.00 0.00 33.01 31.34 2pnc s GLN 205 CO 0.21 -0.15 1.05 0.15 -0.50 0.00 0.00 175.29 176.06 2pnc s LYS 206 N -2.72 3.33 0.06 1.67 -0.14 -1.26 -4.72 119.74 115.96 2pnc s LYS 206 Ca 0.60 1.18 0.03 0.00 -1.36 0.00 0.00 55.97 56.42 2pnc s LYS 206 Cb -0.18 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 2pnc s LYS 206 CO 0.23 -0.80 0.05 -0.51 -0.76 0.00 0.00 175.35 173.56 2pnc s LEU 207 N -4.53 3.68 0.19 3.17 1.43 -1.26 0.74 118.68 122.09 2pnc s LEU 207 Ca 0.63 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2pnc s LEU 207 Cb -0.16 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2pnc s LEU 207 CO 0.37 0.20 0.05 -1.48 0.23 0.00 0.00 176.35 175.72 2pnc s LEU 208 N -2.20 1.80 -0.04 1.79 0.05 0.43 -4.83 118.68 115.68 2pnc s LEU 208 Ca 0.26 -1.26 -0.01 0.00 0.05 0.00 0.00 54.13 53.18 2pnc s LEU 208 Cb -0.12 0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 44.08 2pnc s LEU 208 CO 0.19 -0.68 0.03 0.42 -0.55 0.00 0.00 176.35 175.76 2pnc s THR 209 N -3.83 4.42 -0.16 5.48 -4.23 -1.26 -1.16 115.64 114.90 2pnc s THR 209 Ca 0.29 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2pnc s THR 209 Cb 0.07 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.98 2pnc s THR 209 CO 0.07 0.47 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.39 2pnc s MET 210 N -1.32 3.07 0.80 3.99 -1.94 0.50 -4.92 119.30 119.48 2pnc s MET 210 Ca 0.18 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.23 2pnc s MET 210 Cb -0.12 -2.54 0.07 0.00 2.01 0.00 0.00 34.83 34.25 2pnc s MET 210 CO 0.08 -0.08 1.10 1.21 -0.01 0.00 0.00 175.02 177.31 2pnc s ASN 211 N 1.00 4.46 0.19 3.03 2.47 -1.26 -1.43 114.94 123.41 2pnc s ASN 211 Ca -0.02 1.33 -0.16 0.00 0.42 0.00 0.00 52.86 54.43 2pnc s ASN 211 Cb -0.15 -2.06 0.02 0.00 -1.45 0.00 0.00 41.25 37.61 2pnc s ASN 211 CO -0.05 -1.99 0.48 -0.94 -3.72 0.00 0.00 177.10 170.87 2pnc s SER 212 N -3.88 -0.19 -0.02 -4.21 1.04 -1.25 -4.90 113.70 100.30 2pnc s SER 212 Ca 0.61 -0.59 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 2pnc s SER 212 Cb -0.15 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2pnc s SER 212 CO 0.54 -1.03 0.54 0.00 0.98 0.00 0.00 173.24 174.27 2pnc s ALA 213 N -3.90 -1.38 1.27 5.32 0.00 -1.26 -4.71 121.76 117.10 2pnc s ALA 213 Ca 0.12 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 2pnc s ALA 213 Cb -0.00 0.12 0.31 0.00 0.00 0.00 0.00 23.12 23.54 2pnc s ALA 213 CO -0.01 -0.37 1.05 -2.30 0.00 0.00 0.00 175.76 174.12 2pnc n PRO 214 N 0.89 -3.29 -3.39 0.00 -0.02 -1.26 -1.33 135.00 126.59 2pnc n PRO 214 Ca -0.20 -1.68 -0.28 0.00 -2.02 0.00 0.00 63.50 59.32 2pnc n PRO 214 Cb 0.58 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 2pnc n PRO 214 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnc n ARG 215 N -4.88 2.67 -0.98 -0.52 1.74 -1.26 -4.85 116.66 108.57 2pnc n ARG 215 Ca 0.15 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.55 2pnc n ARG 215 Cb 0.58 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 2pnc n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 216 N 0.85 0.49 0.00 -0.13 0.00 -1.08 -0.37 105.19 104.94 2pnc n GLY 216 Ca 0.30 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2pnc n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pnc n VAL 217 N 9.00 0.16 -3.83 1.61 0.24 -1.26 -5.04 118.33 119.22 2pnc n VAL 217 Ca 0.00 -0.54 -0.06 0.00 -2.04 0.00 0.00 64.34 61.69 2pnc n VAL 217 Cb 0.00 0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 2pnc n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pnc s GLN 218 N -0.16 1.65 0.08 7.34 -2.07 -1.26 -5.09 119.66 120.14 2pnc s GLN 218 Ca 0.00 -0.90 -0.31 0.00 -1.82 0.00 0.00 55.36 52.33 2pnc s GLN 218 Cb 0.00 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.40 2pnc s GLN 218 CO 0.00 -0.75 1.68 -1.12 -1.32 0.00 0.00 175.29 173.78 2pnc s SER 219 N -2.92 6.57 0.00 12.60 0.01 -1.26 -2.61 113.70 126.10 2pnc s SER 219 Ca 0.11 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2pnc s SER 219 Cb -0.05 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2pnc s SER 219 CO 0.05 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2pnc n GLY 220 N 4.03 0.90 3.79 3.44 0.00 -1.26 -5.09 105.19 111.00 2pnc n GLY 220 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2pnc n GLY 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pnc s ASP 221 N -1.81 7.30 -0.40 1.61 1.01 -1.07 -4.98 116.67 118.32 2pnc s ASP 221 Ca 0.00 1.60 0.11 0.00 0.71 0.00 0.00 52.55 54.96 2pnc s ASP 221 Cb 0.00 -2.48 0.33 0.00 1.01 0.00 0.00 42.92 41.77 2pnc s ASP 221 CO 0.00 0.15 0.70 -1.14 0.21 0.00 0.00 175.17 175.09 2pnc n ARG 222 N 1.31 1.12 -4.00 8.23 0.63 -1.08 -4.70 116.66 118.16 2pnc n ARG 222 Ca -0.04 -3.48 -0.31 0.00 -0.92 0.00 0.00 57.85 53.09 2pnc n ARG 222 Cb 0.49 -1.66 -0.16 0.00 0.45 0.00 0.00 32.46 31.59 2pnc n ARG 222 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2pnc s SER 223 N -2.25 3.69 -0.09 6.15 0.01 0.50 -1.92 113.70 119.80 2pnc s SER 223 Ca 0.40 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2pnc s SER 223 Cb 0.30 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 2pnc s SER 223 CO -0.09 -0.17 -0.05 -0.89 0.41 0.00 0.00 173.24 172.45 2pnc s THR 224 N 1.34 3.87 -0.49 1.44 2.01 0.44 -2.65 115.64 121.60 2pnc s THR 224 Ca -0.03 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 2pnc s THR 224 Cb -0.17 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.75 2pnc s THR 224 CO -0.07 0.58 0.96 0.26 -0.69 0.00 0.00 174.62 175.66 2pnc s TRP 225 N -0.56 2.87 -0.24 4.92 0.52 -1.26 -0.68 118.94 124.51 2pnc s TRP 225 Ca 0.09 0.34 -0.10 0.00 0.02 0.00 0.00 56.10 56.44 2pnc s TRP 225 Cb -0.12 -4.06 -0.05 0.00 -1.15 0.00 0.00 33.47 28.09 2pnc s TRP 225 CO 0.02 -1.19 0.16 -0.06 0.02 0.00 0.00 176.95 175.89 2pnc s PHE 226 N 3.92 3.28 0.18 -1.98 0.08 -0.39 -3.87 117.98 119.21 2pnc s PHE 226 Ca 0.37 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.44 2pnc s PHE 226 Cb -0.10 -2.28 -0.07 0.00 -0.57 0.00 0.00 43.02 40.00 2pnc s PHE 226 CO 0.26 0.01 0.59 0.20 -0.10 0.00 0.00 175.22 176.18 2pnc s GLY 227 N 1.18 2.45 -0.24 4.36 0.00 -0.52 -1.30 107.32 113.26 2pnc s GLY 227 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.61 2pnc s GLY 227 CO 0.05 0.18 0.13 -0.42 0.00 0.00 0.00 173.10 173.04 2pnc s ILE 228 N -1.56 5.03 0.07 0.90 -1.09 0.05 -0.37 121.20 124.22 2pnc s ILE 228 Ca 0.41 0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 2pnc s ILE 228 Cb -0.14 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2pnc s ILE 228 CO 0.20 0.35 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.78 2pnc s TYR 229 N 1.12 1.47 0.35 3.97 2.02 -0.31 -1.71 117.35 124.26 2pnc s TYR 229 Ca 0.06 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 2pnc s TYR 229 Cb -0.14 -0.84 -0.11 0.00 -0.40 0.00 0.00 41.96 40.47 2pnc s TYR 229 CO 0.04 0.10 1.46 0.71 -1.57 0.00 0.00 175.55 176.29 2pnc s TYR 230 N -1.06 2.73 -1.08 2.71 2.02 -0.58 -0.43 117.35 121.65 2pnc s TYR 230 Ca 0.03 1.16 -0.07 0.00 -0.37 0.00 0.00 57.07 57.82 2pnc s TYR 230 Cb -0.09 -3.94 0.28 0.00 -0.40 0.00 0.00 41.96 37.80 2pnc s TYR 230 CO 0.02 -2.81 1.16 -1.71 -1.57 0.00 0.00 175.55 170.65 2pnc n ASN 231 N 0.87 5.57 -0.10 2.29 2.85 0.23 -4.68 115.26 122.29 2pnc n ASN 231 Ca 0.02 -3.14 -0.06 0.00 -0.11 0.00 0.00 54.58 51.29 2pnc n ASN 231 Cb 0.40 -1.31 0.01 0.00 1.24 0.00 0.00 39.78 40.11 2pnc n ASN 231 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2pnc h ILE 232 N 3.62 0.84 0.00 -1.44 1.08 -1.84 -3.40 117.51 116.37 2pnc h ILE 232 Ca 0.18 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 2pnc h ILE 232 Cb 0.81 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2pnc h ILE 232 CO 1.07 0.04 0.00 0.41 -0.69 0.00 0.00 178.15 178.97 2pnc n THR 233 N -5.09 0.00 -3.89 -0.27 -1.04 -1.26 -5.04 114.28 97.70 2pnc n THR 233 Ca 0.01 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.67 2pnc n THR 233 Cb 0.15 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.61 2pnc n THR 233 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2pnc s LYS 234 N -0.36 3.45 1.46 -2.82 2.20 -1.26 -5.01 119.74 117.40 2pnc s LYS 234 Ca 0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2pnc s LYS 234 Cb 0.00 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2pnc s LYS 234 CO 0.00 0.72 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 2pnc n GLY 235 N 1.39 2.70 3.62 5.54 0.00 -1.26 -3.98 105.19 113.19 2pnc n GLY 235 Ca -0.15 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2pnc n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pnc s GLY 236 N 0.00 1.35 0.00 -0.02 0.00 -1.26 -4.86 107.32 102.52 2pnc s GLY 236 Ca 0.00 -0.17 0.27 0.00 0.00 0.00 0.00 44.72 44.82 2pnc s GLY 236 CO 0.00 2.49 1.96 -1.05 0.00 0.00 0.00 173.10 176.49 2pnc n PRO 237 N 7.52 0.58 -0.20 2.90 -0.02 -1.26 -2.82 135.00 141.70 2pnc n PRO 237 Ca 0.13 0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 2pnc n PRO 237 Cb 0.48 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.61 2pnc n PRO 237 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pnc n TYR 238 N -1.17 0.39 1.39 6.00 4.01 -1.26 -4.41 117.16 122.11 2pnc n TYR 238 Ca 0.16 -0.78 0.13 0.00 -0.16 0.00 0.00 57.90 57.25 2pnc n TYR 238 Cb 0.17 -0.16 0.47 0.00 -0.31 0.00 0.00 39.34 39.50 2pnc n TYR 238 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pnc n LEU 239 N -0.61 1.58 -3.29 7.72 4.32 -1.13 -3.80 117.00 121.80 2pnc n LEU 239 Ca 0.14 -0.58 -0.25 0.00 -0.02 0.00 0.00 56.01 55.30 2pnc n LEU 239 Cb 0.61 -0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 42.30 2pnc n LEU 239 CO 0.07 0.29 -0.07 1.41 -1.22 0.00 0.00 177.39 177.87 2pnc n HIS 240 N 0.24 2.03 -2.27 -1.77 8.25 -1.26 -4.95 115.22 115.49 2pnc n HIS 240 Ca 0.18 -3.91 -0.41 0.00 -0.26 0.00 0.00 57.72 53.32 2pnc n HIS 240 Cb 0.35 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 2pnc n HIS 240 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2pnc s PRO 241 N -2.08 4.41 0.23 -0.41 0.04 -1.26 -1.53 135.00 134.40 2pnc s PRO 241 Ca 0.39 1.99 0.20 0.00 0.04 0.00 0.00 61.00 63.62 2pnc s PRO 241 Cb 0.18 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.54 2pnc s PRO 241 CO -0.06 -0.24 1.17 0.28 0.04 0.00 0.00 177.00 178.19 2pnc h VAL 242 N 3.88 0.22 0.00 -0.36 2.07 -1.71 -3.44 116.25 116.92 2pnc h VAL 242 Ca -0.44 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2pnc h VAL 242 Cb 1.21 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2pnc h VAL 242 CO 0.78 0.13 0.00 0.61 0.02 0.00 0.00 177.57 179.11 2pnc n GLY 243 N 1.22 0.82 3.35 2.17 0.00 -1.26 -4.76 105.19 106.73 2pnc n GLY 243 Ca -0.01 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2pnc n GLY 243 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 244 N 0.00 2.99 -0.03 0.99 2.96 -1.26 0.83 118.68 125.16 2pnc s LEU 244 Ca 0.00 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2pnc s LEU 244 Cb 0.00 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2pnc s LEU 244 CO 0.00 0.01 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.32 2pnc s GLU 245 N 1.33 1.15 -0.17 1.98 2.02 -0.53 -0.77 118.70 123.71 2pnc s GLU 245 Ca 0.04 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2pnc s GLU 245 Cb -0.14 -1.04 -0.02 0.00 0.10 0.00 0.00 34.13 33.03 2pnc s GLU 245 CO -0.01 0.11 -0.07 -0.51 0.02 0.00 0.00 175.26 174.80 2pnc s LEU 246 N 0.25 2.96 -1.04 1.80 1.43 -0.42 -1.55 118.68 122.11 2pnc s LEU 246 Ca -0.05 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 2pnc s LEU 246 Cb -0.10 -1.71 0.13 0.00 0.03 0.00 0.00 46.19 44.54 2pnc s LEU 246 CO 0.01 0.11 1.29 -0.22 0.23 0.00 0.00 176.35 177.77 2pnc s LEU 247 N 0.69 4.79 -0.09 1.79 0.20 -0.44 -1.26 118.68 124.37 2pnc s LEU 247 Ca -0.04 -2.27 -0.20 0.00 0.69 0.00 0.00 54.13 52.31 2pnc s LEU 247 Cb -0.15 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 2pnc s LEU 247 CO 0.02 -1.03 0.57 0.54 -0.29 0.00 0.00 176.35 176.16 2pnc s VAL 248 N 2.74 5.12 -0.72 1.68 0.11 0.14 -0.15 120.40 129.31 2pnc s VAL 248 Ca 0.39 1.16 -0.17 0.00 -2.93 0.00 0.00 61.98 60.43 2pnc s VAL 248 Cb -0.03 -3.91 0.15 0.00 -1.53 0.00 0.00 36.38 31.06 2pnc s VAL 248 CO -0.06 0.30 0.76 -0.62 -3.33 0.00 0.00 175.10 172.16 2pnc s ASP 249 N 0.64 6.47 -0.48 3.54 2.15 0.42 -0.42 116.67 129.00 2pnc s ASP 249 Ca 0.31 -2.05 0.03 0.00 0.43 0.00 0.00 52.55 51.27 2pnc s ASP 249 Cb -0.16 -2.27 0.56 0.00 -0.30 0.00 0.00 42.92 40.75 2pnc s ASP 249 CO 0.14 -0.87 1.83 0.00 -0.17 0.00 0.00 175.17 176.10 2pnc n HIS 250 N 5.33 2.75 -0.03 -5.34 1.44 -0.81 -2.70 115.22 115.85 2pnc n HIS 250 Ca 0.04 -2.18 -0.13 0.00 -2.01 0.00 0.00 57.72 53.44 2pnc n HIS 250 Cb 0.45 -0.98 -0.09 0.00 0.12 0.00 0.00 29.99 29.49 2pnc n HIS 250 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2pnc h LYS 251 N 1.36 0.19 -6.83 -1.40 3.64 -1.88 -3.47 116.57 108.19 2pnc h LYS 251 Ca 0.54 -0.12 -0.56 0.00 -1.27 0.00 0.00 60.65 59.24 2pnc h LYS 251 Cb 1.98 0.01 0.18 0.00 -0.41 0.00 0.00 32.23 33.99 2pnc h LYS 251 CO 1.10 0.69 -0.05 0.00 -2.27 0.00 0.00 179.45 178.92 2pnc n ALA 252 N -2.42 -0.54 0.21 5.00 0.00 -1.26 -4.91 120.51 116.58 2pnc n ALA 252 Ca -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.29 2pnc n ALA 252 Cb 0.35 -2.03 0.37 0.00 0.00 0.00 0.00 19.45 18.14 2pnc n ALA 252 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2pnc h LEU 253 N -0.12 0.00 -8.59 0.00 4.07 -1.94 -3.41 115.31 105.32 2pnc h LEU 253 Ca -0.47 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 56.79 2pnc h LEU 253 Cb 1.35 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.89 2pnc h LEU 253 CO 0.46 0.27 -0.46 -0.62 -1.08 0.00 0.00 178.44 177.02 2pnc s ASP 254 N -6.25 6.07 0.48 -0.43 3.68 -1.26 -3.85 116.67 115.10 2pnc s ASP 254 Ca 0.01 -0.69 0.21 0.00 2.13 0.00 0.00 52.55 54.22 2pnc s ASP 254 Cb 0.10 -2.14 1.24 0.00 -1.45 0.00 0.00 42.92 40.66 2pnc s ASP 254 CO 0.66 -0.35 1.94 -0.65 0.13 0.00 0.00 175.17 176.90 2pnc h PRO 255 N 8.56 0.20 0.00 4.34 0.11 -1.98 -0.36 132.00 142.87 2pnc h PRO 255 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2pnc h PRO 255 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pnc h PRO 255 CO 0.68 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.61 2pnc h ALA 256 N 1.67 1.00 -0.02 -0.75 0.00 -1.96 -1.78 119.26 117.42 2pnc h ALA 256 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pnc h ALA 256 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pnc h ALA 256 CO -0.07 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 178.84 2pnc n ASP 257 N -2.96 1.96 -4.76 0.00 8.00 -0.14 -4.95 116.55 113.69 2pnc n ASP 257 Ca -0.01 -1.57 -0.38 0.00 0.71 0.00 0.00 54.79 53.54 2pnc n ASP 257 Cb 0.16 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2pnc n ASP 257 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2pnc s TRP 258 N -2.13 2.72 0.05 1.24 0.51 -0.67 -4.96 118.94 115.70 2pnc s TRP 258 Ca 0.31 1.45 0.00 0.00 -2.12 0.00 0.00 56.10 55.74 2pnc s TRP 258 Cb 0.20 -3.59 -0.03 0.00 -0.81 0.00 0.00 33.47 29.24 2pnc s TRP 258 CO 0.38 -2.05 -0.04 0.95 -0.51 0.00 0.00 176.95 175.68 2pnc s THR 259 N -1.38 0.34 -0.19 2.01 -4.23 -1.10 -4.97 115.64 106.12 2pnc s THR 259 Ca 0.63 -1.53 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2pnc s THR 259 Cb -0.35 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 2pnc s THR 259 CO 0.43 -0.78 0.34 0.68 -0.54 0.00 0.00 174.62 174.75 2pnc s VAL 260 N -2.96 5.25 -0.12 2.29 -7.23 -1.26 0.16 120.40 116.53 2pnc s VAL 260 Ca 0.01 0.59 0.21 0.00 -1.81 0.00 0.00 61.98 60.98 2pnc s VAL 260 Cb 0.01 -3.67 -0.20 0.00 0.56 0.00 0.00 36.38 33.07 2pnc s VAL 260 CO -0.05 0.30 0.64 0.00 -0.31 0.00 0.00 175.10 175.68 2pnc n GLN 261 N 4.18 0.64 -3.54 4.82 1.13 0.79 -4.93 117.38 120.47 2pnc n GLN 261 Ca -0.10 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.82 2pnc n GLN 261 Cb 0.51 -1.65 -0.05 0.00 0.11 0.00 0.00 30.24 29.17 2pnc n GLN 261 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2pnc s LYS 262 N -3.25 0.79 -0.01 -1.09 2.20 -1.24 -4.84 119.74 112.29 2pnc s LYS 262 Ca -0.05 0.07 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 2pnc s LYS 262 Cb 0.11 0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 2pnc s LYS 262 CO 0.85 -0.27 -0.19 0.54 -0.36 0.00 0.00 175.35 175.92 2pnc s VAL 263 N -1.60 1.49 -0.28 4.02 0.11 0.57 -1.33 120.40 123.38 2pnc s VAL 263 Ca -0.03 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.17 2pnc s VAL 263 Cb -0.00 -1.24 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2pnc s VAL 263 CO 0.01 0.42 0.01 0.12 -3.33 0.00 0.00 175.10 172.33 2pnc s PHE 264 N -0.45 3.15 -0.36 1.54 5.36 -0.60 0.11 117.98 126.73 2pnc s PHE 264 Ca 0.07 -1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 54.60 2pnc s PHE 264 Cb -0.07 -2.15 0.09 0.00 -0.34 0.00 0.00 43.02 40.55 2pnc s PHE 264 CO -0.01 -0.70 0.11 0.12 -1.46 0.00 0.00 175.22 173.29 2pnc s PHE 265 N 1.37 3.52 -1.51 10.12 2.19 0.80 -1.46 117.98 133.01 2pnc s PHE 265 Ca -0.00 -2.36 -0.09 0.00 0.33 0.00 0.00 56.93 54.80 2pnc s PHE 265 Cb -0.18 -2.82 0.07 0.00 -1.31 0.00 0.00 43.02 38.79 2pnc s PHE 265 CO -0.01 -0.92 0.72 1.04 1.83 0.00 0.00 175.22 177.88 2pnc n GLN 266 N 4.54 -4.11 0.00 10.12 6.02 0.24 -2.09 117.38 132.10 2pnc n GLN 266 Ca -0.05 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2pnc n GLN 266 Cb 0.42 -5.05 0.00 0.00 1.02 0.00 0.00 30.24 26.63 2pnc n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnc n GLY 267 N -1.68 1.74 3.74 1.08 0.00 -1.26 -5.01 105.19 103.78 2pnc n GLY 267 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2pnc n GLY 267 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnc s ARG 268 N -0.11 2.78 -0.08 1.61 3.00 -0.89 -5.12 118.95 120.14 2pnc s ARG 268 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 55.73 54.98 2pnc s ARG 268 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 34.95 32.24 2pnc s ARG 268 CO 0.00 0.57 0.10 0.71 0.00 0.00 0.00 175.30 176.68 2pnc s TYR 269 N -1.31 3.44 0.12 -0.53 1.51 -1.26 -0.14 117.35 119.18 2pnc s TYR 269 Ca 0.26 0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 2pnc s TYR 269 Cb -0.12 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2pnc s TYR 269 CO 0.19 0.63 -0.10 0.71 -1.11 0.00 0.00 175.55 175.87 2pnc s TYR 270 N -1.05 1.16 -0.04 2.71 1.51 0.29 -4.97 117.35 116.97 2pnc s TYR 270 Ca 0.17 -0.72 -0.23 0.00 -1.01 0.00 0.00 57.07 55.29 2pnc s TYR 270 Cb -0.12 -0.61 -0.17 0.00 -0.11 0.00 0.00 41.96 40.95 2pnc s TYR 270 CO 0.07 0.03 0.99 1.49 -1.11 0.00 0.00 175.55 177.02 2pnc h GLU 271 N 3.17 -0.21 -4.80 -0.62 4.57 -1.89 0.16 114.58 114.96 2pnc h GLU 271 Ca -0.37 0.01 -0.37 0.00 -1.18 0.00 0.00 59.36 57.45 2pnc h GLU 271 Cb 1.19 0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.68 2pnc h GLU 271 CO 0.58 0.22 -0.57 0.54 -1.18 0.00 0.00 179.01 178.61 2pnc s ASN 272 N -5.45 1.14 0.16 1.04 2.20 -1.26 -3.66 114.94 109.11 2pnc s ASN 272 Ca -0.14 -1.54 -0.06 0.00 -0.94 0.00 0.00 52.86 50.19 2pnc s ASN 272 Cb 0.01 0.41 0.02 0.00 -2.00 0.00 0.00 41.25 39.69 2pnc s ASN 272 CO 0.52 -0.90 1.44 -0.07 -2.94 0.00 0.00 177.10 175.15 2pnc h LEU 273 N 2.33 0.71 -0.51 3.54 3.38 -1.93 -2.79 115.31 120.04 2pnc h LEU 273 Ca -0.33 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.30 2pnc h LEU 273 Cb 1.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2pnc h LEU 273 CO 0.50 1.16 0.20 0.00 0.09 0.00 0.00 178.44 180.38 2pnc h ALA 274 N 0.85 0.63 -0.78 1.53 0.00 -1.92 0.11 119.26 119.67 2pnc h ALA 274 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pnc h ALA 274 Cb 1.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2pnc h ALA 274 CO 0.12 -0.19 0.51 0.37 0.00 0.00 0.00 179.25 180.06 2pnc h GLN 275 N 0.39 0.98 -0.38 0.00 4.15 -1.91 0.58 115.11 118.92 2pnc h GLN 275 Ca 0.24 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2pnc h GLN 275 Cb 0.24 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2pnc h GLN 275 CO -0.23 0.65 0.22 1.25 -1.93 0.00 0.00 178.83 178.79 2pnc h LEU 276 N 1.01 0.35 -0.10 -2.39 5.85 -1.01 0.44 115.31 119.47 2pnc h LEU 276 Ca 0.30 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2pnc h LEU 276 Cb -0.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2pnc h LEU 276 CO -0.09 0.25 0.05 -0.08 -0.34 0.00 0.00 178.44 178.23 2pnc h GLU 277 N 0.44 0.14 -0.19 1.25 4.57 -0.23 -1.16 114.58 119.40 2pnc h GLU 277 Ca 0.15 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 2pnc h GLU 277 Cb 0.01 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 2pnc h GLU 277 CO -0.08 0.22 -0.17 0.93 -1.18 0.00 0.00 179.01 178.73 2pnc h GLU 278 N 0.03 -0.18 -0.95 1.92 5.08 0.53 0.40 114.58 121.41 2pnc h GLU 278 Ca 0.03 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2pnc h GLU 278 Cb 0.12 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2pnc h GLU 278 CO -0.00 -0.12 0.59 1.96 -1.00 0.00 0.00 179.01 180.44 2pnc h GLN 279 N -0.19 1.00 -0.27 2.33 1.08 -0.04 -2.32 115.11 116.70 2pnc h GLN 279 Ca 0.12 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2pnc h GLN 279 Cb 0.37 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2pnc h GLN 279 CO -0.30 0.66 -0.05 0.35 -0.95 0.00 0.00 178.83 178.53 2pnc h PHE 280 N 1.02 0.57 -0.52 2.96 3.57 -0.27 0.57 116.94 124.83 2pnc h PHE 280 Ca 0.43 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2pnc h PHE 280 Cb 0.29 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2pnc h PHE 280 CO -0.02 0.71 0.35 0.93 -2.23 0.00 0.00 178.31 178.05 2pnc h GLU 281 N 0.26 0.63 0.00 1.11 4.39 -0.65 0.67 114.58 120.99 2pnc h GLU 281 Ca 0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2pnc h GLU 281 Cb 0.52 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2pnc h GLU 281 CO 0.02 0.42 0.00 0.00 -1.16 0.00 0.00 179.01 178.29 2pnc n ALA 282 N -2.47 2.47 -1.31 3.43 0.00 -0.90 -4.86 120.51 116.87 2pnc n ALA 282 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 2pnc n ALA 282 Cb 0.10 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 2pnc n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnc n GLY 283 N 0.80 0.64 1.89 0.00 0.00 0.23 -4.92 105.19 103.82 2pnc n GLY 283 Ca 0.18 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.45 2pnc n GLY 283 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pnc n GLN 284 N -2.61 4.86 -3.69 1.61 6.02 0.18 -4.85 117.38 118.90 2pnc n GLN 284 Ca -0.05 -3.13 -0.19 0.00 -0.01 0.00 0.00 57.00 53.62 2pnc n GLN 284 Cb 0.23 -2.27 -0.18 0.00 1.02 0.00 0.00 30.24 29.04 2pnc n GLN 284 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pnc s VAL 285 N -2.76 -0.10 -0.04 5.09 1.01 -1.24 -4.80 120.40 117.56 2pnc s VAL 285 Ca 0.54 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.67 2pnc s VAL 285 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.62 2pnc s VAL 285 CO 0.16 0.16 0.74 0.21 0.00 0.00 0.00 175.10 176.36 2pnc s ASN 286 N 1.95 7.07 -0.17 3.32 2.47 -1.26 -4.90 114.94 123.42 2pnc s ASN 286 Ca 0.02 1.28 0.01 0.00 0.42 0.00 0.00 52.86 54.59 2pnc s ASN 286 Cb -0.12 -2.44 0.01 0.00 -1.45 0.00 0.00 41.25 37.26 2pnc s ASN 286 CO -0.03 -0.10 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.37 2pnc s VAL 287 N 0.63 2.18 -0.52 -5.21 1.01 -1.26 -5.06 120.40 112.17 2pnc s VAL 287 Ca 0.39 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 2pnc s VAL 287 Cb -0.19 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2pnc s VAL 287 CO 0.20 0.53 1.04 -0.69 0.00 0.00 0.00 175.10 176.18 2pnc s VAL 288 N 1.18 4.28 0.19 2.92 1.01 -1.26 -4.93 120.40 123.80 2pnc s VAL 288 Ca 0.02 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 2pnc s VAL 288 Cb -0.14 -4.57 -0.09 0.00 0.00 0.00 0.00 36.38 31.58 2pnc s VAL 288 CO -0.09 -1.07 1.37 0.68 0.00 0.00 0.00 175.10 175.98 2pnc s VAL 289 N 4.25 3.06 -0.24 2.92 -7.23 -1.26 -4.80 120.40 117.09 2pnc s VAL 289 Ca 0.39 0.85 -0.10 0.00 -1.81 0.00 0.00 61.98 61.30 2pnc s VAL 289 Cb -0.09 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 2pnc s VAL 289 CO 0.25 0.11 0.15 -0.63 -0.31 0.00 0.00 175.10 174.68 2pnc s ILE 290 N 0.31 5.32 0.02 -0.62 -1.09 0.17 -5.02 121.20 120.29 2pnc s ILE 290 Ca 0.59 0.17 -0.39 0.00 -2.23 0.00 0.00 60.65 58.79 2pnc s ILE 290 Cb -0.38 -3.48 -0.19 0.00 -1.58 0.00 0.00 42.46 36.82 2pnc s ILE 290 CO 0.38 0.35 1.08 -2.65 -1.23 0.00 0.00 174.94 172.87 2pnc n PRO 291 N 4.25 0.16 0.00 2.79 -0.01 -1.26 -4.73 135.00 136.19 2pnc n PRO 291 Ca -0.15 0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.40 2pnc n PRO 291 Cb 0.52 -1.55 0.00 0.00 -0.01 0.00 0.00 33.50 32.46 2pnc n PRO 291 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 2pnc n ASP 292 N 1.65 0.00 0.00 2.55 8.00 -1.26 -5.06 116.55 122.43 2pnc n ASP 292 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2pnc n ASP 292 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2pnc n ASP 292 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2pnc n ARG 321 N 4.95 0.00 -4.12 -1.24 3.00 -1.26 -4.08 116.66 113.91 2pnc n ARG 321 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2pnc n ARG 321 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 2pnc n ARG 321 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2pnc s PHE 322 N 0.00 0.78 0.32 -0.14 -0.71 -1.26 -0.80 117.98 116.17 2pnc s PHE 322 Ca 0.00 -0.72 -0.07 0.00 -1.04 0.00 0.00 56.93 55.10 2pnc s PHE 322 Cb 0.00 -0.46 0.01 0.00 -1.21 0.00 0.00 43.02 41.36 2pnc s PHE 322 CO 0.00 -0.12 0.51 -1.54 -1.34 0.00 0.00 175.22 172.73 2pnc s SER 323 N -2.35 0.51 -0.05 1.98 1.04 -0.94 -4.95 113.70 108.94 2pnc s SER 323 Ca 0.01 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.13 2pnc s SER 323 Cb -0.02 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.80 2pnc s SER 323 CO -0.02 -1.30 0.09 0.54 0.98 0.00 0.00 173.24 173.52 2pnc s VAL 324 N -3.22 -0.15 -0.38 5.02 0.11 -1.26 -1.09 120.40 119.43 2pnc s VAL 324 Ca 0.26 0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2pnc s VAL 324 Cb -0.01 -0.19 0.09 0.00 -1.53 0.00 0.00 36.38 34.74 2pnc s VAL 324 CO 0.16 0.17 0.16 -1.10 -3.33 0.00 0.00 175.10 171.15 2pnc s GLN 325 N 2.16 2.22 6.86 1.54 -1.52 -0.65 -4.96 119.66 125.31 2pnc s GLN 325 Ca 0.04 -1.60 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 2pnc s GLN 325 Cb -0.12 -3.51 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 2pnc s GLN 325 CO -0.04 -0.93 0.00 0.41 -0.25 0.00 0.00 175.29 174.49 2pnc n GLY 326 N 4.66 2.26 0.98 3.09 0.00 -1.26 -2.62 105.19 112.30 2pnc n GLY 326 Ca -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2pnc n GLY 326 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pnc n ASN 327 N 10.11 2.98 -4.32 1.61 6.94 -1.26 -4.95 115.26 126.37 2pnc n ASN 327 Ca 0.00 -1.93 -0.32 0.00 -0.02 0.00 0.00 54.58 52.31 2pnc n ASN 327 Cb 0.00 -0.16 -0.16 0.00 -2.36 0.00 0.00 39.78 37.10 2pnc n ASN 327 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pnc s ARG 328 N -1.68 2.78 -0.09 -3.83 1.04 -1.08 0.11 118.95 116.21 2pnc s ARG 328 Ca 0.35 -0.82 -0.11 0.00 -1.04 0.00 0.00 55.73 54.11 2pnc s ARG 328 Cb 0.21 -2.31 -0.05 0.00 -2.04 0.00 0.00 34.95 30.76 2pnc s ARG 328 CO 0.31 0.36 0.27 0.08 -0.04 0.00 0.00 175.30 176.28 2pnc s VAL 329 N -0.09 5.29 -0.39 4.99 1.01 -0.08 -1.63 120.40 129.50 2pnc s VAL 329 Ca -0.04 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2pnc s VAL 329 Cb -0.14 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.82 2pnc s VAL 329 CO 0.04 0.55 0.23 0.00 0.00 0.00 0.00 175.10 175.93 2pnc s ALA 330 N -0.70 1.37 0.78 5.51 0.00 -0.25 -2.67 121.76 125.80 2pnc s ALA 330 Ca 0.18 -2.15 -0.06 0.00 0.00 0.00 0.00 51.96 49.93 2pnc s ALA 330 Cb -0.14 -1.70 0.13 0.00 0.00 0.00 0.00 23.12 21.42 2pnc s ALA 330 CO 0.07 -2.09 1.09 -1.54 0.00 0.00 0.00 175.76 173.30 2pnc s SER 331 N 0.75 4.10 0.44 0.00 1.04 -0.72 -2.22 113.70 117.10 2pnc s SER 331 Ca 0.19 0.00 0.30 0.00 0.48 0.00 0.00 55.95 56.93 2pnc s SER 331 Cb -0.21 -0.35 1.34 0.00 0.10 0.00 0.00 66.02 66.89 2pnc s SER 331 CO -0.01 -2.05 1.90 0.77 0.98 0.00 0.00 173.24 174.84 2pnc h SER 332 N -0.86 0.00 0.00 7.02 4.64 -1.35 -3.26 113.55 119.74 2pnc h SER 332 Ca -0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.79 2pnc h SER 332 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2pnc h SER 332 CO 0.44 0.00 -1.46 0.18 -0.87 0.00 0.00 176.83 175.12 2pnc n LEU 333 N -2.70 0.26 -4.41 5.97 4.77 -1.26 -4.80 117.00 114.82 2pnc n LEU 333 Ca 0.01 -0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2pnc n LEU 333 Cb 0.22 0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2pnc n LEU 333 CO 0.22 0.21 -0.49 0.26 -1.33 0.00 0.00 177.39 176.25 2pnc s TRP 334 N -2.16 2.13 -0.13 -1.77 0.52 -1.23 -0.75 118.94 115.54 2pnc s TRP 334 Ca -0.04 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.62 2pnc s TRP 334 Cb 0.02 -0.99 0.05 0.00 -1.15 0.00 0.00 33.47 31.40 2pnc s TRP 334 CO 0.26 0.53 0.30 0.99 0.02 0.00 0.00 176.95 179.06 2pnc s THR 335 N -2.23 -0.08 0.10 2.01 2.01 -0.60 -1.75 115.64 115.11 2pnc s THR 335 Ca 0.23 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 2pnc s THR 335 Cb -0.05 -0.47 0.08 0.00 0.01 0.00 0.00 72.50 72.07 2pnc s THR 335 CO 0.11 0.06 0.67 0.72 -0.69 0.00 0.00 174.62 175.49 2pnc s PHE 336 N 1.42 -0.51 -0.28 4.92 -0.71 -1.09 0.11 117.98 121.84 2pnc s PHE 336 Ca -0.09 0.39 -0.08 0.00 -1.04 0.00 0.00 56.93 56.11 2pnc s PHE 336 Cb -0.10 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 2pnc s PHE 336 CO -0.10 -0.76 0.11 -1.12 -1.34 0.00 0.00 175.22 172.01 2pnc s SER 337 N -2.51 5.33 0.32 1.98 0.01 0.27 -0.91 113.70 118.19 2pnc s SER 337 Ca 0.01 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.93 2pnc s SER 337 Cb -0.01 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 2pnc s SER 337 CO -0.10 -0.11 0.48 0.72 0.41 0.00 0.00 173.24 174.64 2pnc s PHE 338 N 1.61 3.39 0.00 2.43 -0.12 0.12 -0.35 117.98 125.05 2pnc s PHE 338 Ca 0.05 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 2pnc s PHE 338 Cb -0.16 -1.83 0.00 0.00 -0.63 0.00 0.00 43.02 40.40 2pnc s PHE 338 CO 0.05 0.17 0.00 0.41 -0.05 0.00 0.00 175.22 175.80 2pnc n GLY 339 N -1.65 1.26 3.41 1.99 0.00 -0.94 -4.76 105.19 104.50 2pnc n GLY 339 Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 2pnc n GLY 339 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 340 N 0.00 -1.07 0.29 0.99 2.96 -1.26 -2.91 118.68 117.68 2pnc s LEU 340 Ca 0.00 1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 54.84 2pnc s LEU 340 Cb 0.00 2.01 -0.09 0.00 0.50 0.00 0.00 46.19 48.60 2pnc s LEU 340 CO 0.00 -0.24 1.00 -0.83 -1.32 0.00 0.00 176.35 174.96 2pnc s GLY 341 N 2.81 2.98 0.59 7.98 0.00 -0.62 -4.92 107.32 116.15 2pnc s GLY 341 Ca 0.02 0.68 0.30 0.00 0.00 0.00 0.00 44.72 45.72 2pnc s GLY 341 CO -0.18 1.21 2.16 0.00 0.00 0.00 0.00 173.10 176.29 2pnc h ALA 342 N 3.63 1.67 0.00 3.20 0.00 -1.91 -2.81 119.26 123.04 2pnc h ALA 342 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pnc h ALA 342 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pnc h ALA 342 CO 0.66 -0.19 -0.83 1.19 0.00 0.00 0.00 179.25 180.08 2pnc n PHE 343 N -3.77 0.00 -0.01 0.00 3.72 -1.26 -0.77 117.46 115.37 2pnc n PHE 343 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2pnc n PHE 343 Cb 0.24 0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 2pnc n PHE 343 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2pnc h SER 344 N 0.00 0.77 -1.95 4.37 0.02 -1.84 -2.78 113.55 112.13 2pnc h SER 344 Ca 0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2pnc h SER 344 Cb 0.83 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2pnc h SER 344 CO 0.00 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.53 2pnc n GLY 345 N 0.50 -1.31 3.73 -3.77 0.00 -1.07 -4.08 105.19 99.20 2pnc n GLY 345 Ca -0.05 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2pnc n GLY 345 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnc s PRO 346 N 0.00 2.63 0.06 1.61 0.04 -1.26 -1.59 135.00 136.49 2pnc s PRO 346 Ca 0.00 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 2pnc s PRO 346 Cb 0.00 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2pnc s PRO 346 CO 0.00 -1.54 0.56 -0.98 0.04 0.00 0.00 177.00 175.09 2pnc s ARG 347 N -3.33 1.10 -0.01 4.56 1.70 -1.15 -1.31 118.95 120.51 2pnc s ARG 347 Ca 0.81 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.88 2pnc s ARG 347 Cb -0.37 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 2pnc s ARG 347 CO 0.40 -0.41 -0.04 0.08 -1.08 0.00 0.00 175.30 174.25 2pnc s VAL 348 N -2.55 0.34 0.14 4.99 1.01 0.93 -2.21 120.40 123.05 2pnc s VAL 348 Ca -0.05 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2pnc s VAL 348 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2pnc s VAL 348 CO -0.02 0.12 -0.20 -0.36 0.00 0.00 0.00 175.10 174.64 2pnc s PHE 349 N 0.14 1.83 -1.26 5.22 0.40 0.53 -0.24 117.98 124.60 2pnc s PHE 349 Ca -0.01 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 2pnc s PHE 349 Cb -0.05 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.54 2pnc s PHE 349 CO -0.00 0.28 0.98 -3.47 0.70 0.00 0.00 175.22 173.71 2pnc n ASP 350 N 0.65 -2.75 -4.66 1.36 4.64 -0.41 -0.56 116.55 114.81 2pnc n ASP 350 Ca -0.16 -0.65 -0.43 0.00 -1.38 0.00 0.00 54.79 52.18 2pnc n ASP 350 Cb 0.55 -4.88 -0.02 0.00 -1.04 0.00 0.00 41.12 35.73 2pnc n ASP 350 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2pnc s VAL 351 N -3.40 3.94 -0.14 5.18 1.01 -0.59 -4.12 120.40 122.27 2pnc s VAL 351 Ca 0.13 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 2pnc s VAL 351 Cb -0.06 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2pnc s VAL 351 CO 0.75 -0.10 -0.06 -0.13 0.00 0.00 0.00 175.10 175.56 2pnc s ARG 352 N 3.70 1.47 -0.38 2.72 0.52 0.12 -0.69 118.95 126.41 2pnc s ARG 352 Ca 0.64 -0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 55.28 2pnc s ARG 352 Cb -0.27 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.42 2pnc s ARG 352 CO 0.22 -0.35 0.55 0.12 0.02 0.00 0.00 175.30 175.87 2pnc s PHE 353 N 1.68 3.14 -1.37 -0.53 5.36 -0.31 -1.55 117.98 124.39 2pnc s PHE 353 Ca 0.03 0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 55.99 2pnc s PHE 353 Cb -0.14 -3.06 0.03 0.00 -0.34 0.00 0.00 43.02 39.51 2pnc s PHE 353 CO -0.08 -0.66 1.08 1.04 -1.46 0.00 0.00 175.22 175.15 2pnc n GLN 354 N 5.90 -7.05 -0.25 10.12 6.02 0.07 -2.65 117.38 129.54 2pnc n GLN 354 Ca -0.04 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2pnc n GLN 354 Cb 0.48 -5.75 0.00 0.00 1.02 0.00 0.00 30.24 25.99 2pnc n GLN 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnc n GLY 355 N -1.79 1.45 3.52 1.08 0.00 -1.26 -5.03 105.19 103.17 2pnc n GLY 355 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2pnc n GLY 355 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnc s GLU 356 N -0.37 3.52 0.04 1.61 2.12 -1.08 -5.03 118.70 119.50 2pnc s GLU 356 Ca 0.00 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 2pnc s GLU 356 Cb 0.00 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 2pnc s GLU 356 CO 0.00 0.33 1.13 0.50 -0.54 0.00 0.00 175.26 176.67 2pnc s ARG 357 N 0.13 4.47 -0.22 4.30 3.52 -1.26 -1.16 118.95 128.72 2pnc s ARG 357 Ca -0.01 1.65 0.02 0.00 -0.13 0.00 0.00 55.73 57.26 2pnc s ARG 357 Cb -0.14 -3.39 -0.15 0.00 -1.56 0.00 0.00 34.95 29.72 2pnc s ARG 357 CO 0.03 -0.19 -0.19 1.28 -0.81 0.00 0.00 175.30 175.42 2pnc n LEU 358 N 3.93 2.92 -3.79 -0.88 4.77 0.14 -4.54 117.00 119.54 2pnc n LEU 358 Ca 0.08 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 2pnc n LEU 358 Cb 0.48 -0.74 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 2pnc n LEU 358 CO 0.54 0.86 -0.25 0.00 -1.33 0.00 0.00 177.39 177.22 2pnc s ALA 359 N -2.44 -0.23 0.18 -1.18 0.00 -1.23 0.52 121.76 117.38 2pnc s ALA 359 Ca -0.29 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2pnc s ALA 359 Cb 0.08 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.98 2pnc s ALA 359 CO 0.51 -0.10 1.51 -0.92 0.00 0.00 0.00 175.76 176.76 2pnc h TYR 360 N 6.66 0.83 -2.52 0.00 3.20 -1.71 -1.57 116.97 121.85 2pnc h TYR 360 Ca -0.35 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.16 2pnc h TYR 360 Cb 1.17 -0.17 -0.24 0.00 1.54 0.00 0.00 36.73 39.03 2pnc h TYR 360 CO 0.43 1.02 -0.19 -2.00 -1.64 0.00 0.00 178.16 175.78 2pnc s GLU 361 N -4.16 0.51 -0.18 1.82 2.12 -1.25 -1.29 118.70 116.27 2pnc s GLU 361 Ca -0.08 0.79 -0.01 0.00 0.36 0.00 0.00 54.97 56.02 2pnc s GLU 361 Cb 0.11 0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.69 2pnc s GLU 361 CO 0.85 -0.11 -0.01 0.42 -0.54 0.00 0.00 175.26 175.87 2pnc s ILE 362 N 0.90 0.85 0.01 -3.70 1.01 0.66 -1.15 121.20 119.78 2pnc s ILE 362 Ca -0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 2pnc s ILE 362 Cb -0.06 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2pnc s ILE 362 CO -0.07 -0.05 0.02 -0.94 0.00 0.00 0.00 174.94 173.90 2pnc s SER 363 N 1.73 0.14 0.34 3.58 1.04 -0.85 -0.05 113.70 119.62 2pnc s SER 363 Ca -0.01 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 2pnc s SER 363 Cb -0.16 0.12 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2pnc s SER 363 CO -0.07 -0.26 1.21 -0.22 0.98 0.00 0.00 173.24 174.88 2pnc s LEU 364 N -1.18 4.39 -0.09 2.42 2.96 -0.43 -0.77 118.68 125.99 2pnc s LEU 364 Ca -0.13 2.48 -0.03 0.00 -0.22 0.00 0.00 54.13 56.24 2pnc s LEU 364 Cb -0.08 -3.75 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 2pnc s LEU 364 CO -0.00 -0.47 -0.10 0.00 -1.32 0.00 0.00 176.35 174.45 2pnc n GLN 365 N 0.69 0.19 -3.60 1.98 1.13 0.81 -4.43 117.38 114.16 2pnc n GLN 365 Ca 0.01 0.07 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 2pnc n GLN 365 Cb 0.44 -0.93 -0.07 0.00 0.11 0.00 0.00 30.24 29.79 2pnc n GLN 365 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2pnc s GLU 366 N -2.16 0.89 -0.14 -1.09 2.56 -1.19 -4.67 118.70 112.89 2pnc s GLU 366 Ca -0.12 0.57 0.03 0.00 0.00 0.00 0.00 54.97 55.45 2pnc s GLU 366 Cb 0.04 0.42 0.01 0.00 2.00 0.00 0.00 34.13 36.60 2pnc s GLU 366 CO 0.17 -0.20 -0.22 0.00 -0.56 0.00 0.00 175.26 174.45 2pnc s ALA 367 N -0.40 2.26 0.23 6.30 0.00 -1.26 -0.96 121.76 127.92 2pnc s ALA 367 Ca -0.05 -1.07 0.11 0.00 0.00 0.00 0.00 51.96 50.95 2pnc s ALA 367 Cb -0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2pnc s ALA 367 CO 0.05 0.02 -0.21 0.20 0.00 0.00 0.00 175.76 175.82 2pnc s GLY 368 N 0.75 1.78 -0.13 0.00 0.00 0.74 -0.82 107.32 109.63 2pnc s GLY 368 Ca -0.09 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 42.84 2pnc s GLY 368 CO -0.00 -1.77 0.32 0.00 0.00 0.00 0.00 173.10 171.64 2pnc s ALA 369 N -2.01 -0.77 -0.15 3.20 0.00 -1.16 -1.51 121.76 119.35 2pnc s ALA 369 Ca 0.25 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2pnc s ALA 369 Cb -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2pnc s ALA 369 CO 0.12 -0.22 -0.14 0.08 0.00 0.00 0.00 175.76 175.61 2pnc s VAL 370 N 1.19 1.57 0.42 0.00 1.01 -0.84 -0.01 120.40 123.74 2pnc s VAL 370 Ca -0.08 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2pnc s VAL 370 Cb -0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2pnc s VAL 370 CO -0.09 0.44 0.45 -0.31 0.00 0.00 0.00 175.10 175.59 2pnc s TYR 371 N 1.48 2.72 0.08 5.22 1.51 -0.94 -0.98 117.35 126.43 2pnc s TYR 371 Ca 0.05 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 2pnc s TYR 371 Cb -0.13 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 2pnc s TYR 371 CO -0.11 -0.24 0.06 0.20 -1.11 0.00 0.00 175.55 174.35 2pnc s GLY 372 N -4.22 0.41 0.00 0.71 0.00 -0.43 -4.75 107.32 99.05 2pnc s GLY 372 Ca 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2pnc s GLY 372 CO 0.30 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.86 2pnc n GLY 373 N 0.02 1.37 0.99 0.20 0.00 -1.25 -3.81 105.19 102.70 2pnc n GLY 373 Ca -0.13 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2pnc n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pnc n ASN 374 N 0.00 3.41 -4.78 1.61 6.94 -1.26 -4.30 115.26 116.88 2pnc n ASN 374 Ca 0.00 -1.99 -0.32 0.00 -0.02 0.00 0.00 54.58 52.25 2pnc n ASN 374 Cb 0.00 -0.35 -0.07 0.00 -2.36 0.00 0.00 39.78 37.00 2pnc n ASN 374 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2pnc s THR 375 N -1.02 4.68 0.00 5.53 -4.23 -1.26 -4.98 115.64 114.37 2pnc s THR 375 Ca 0.36 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2pnc s THR 375 Cb 0.19 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2pnc s THR 375 CO 0.24 0.28 0.87 -2.65 -0.54 0.00 0.00 174.62 172.82 2pnc n PRO 376 N 0.96 0.00 -0.20 3.99 -0.02 -1.26 -1.22 135.00 137.25 2pnc n PRO 376 Ca -0.12 0.70 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2pnc n PRO 376 Cb 0.52 -1.37 0.10 0.00 -0.02 0.00 0.00 33.50 32.74 2pnc n PRO 376 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pnc h ALA 377 N -1.51 0.63 -0.29 3.55 0.00 -1.98 -0.60 119.26 119.07 2pnc h ALA 377 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pnc h ALA 377 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pnc h ALA 377 CO 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 179.25 178.99 2pnc h ALA 378 N 1.54 1.67 0.00 0.00 0.00 -1.85 -1.12 119.26 119.50 2pnc h ALA 378 Ca 0.32 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2pnc h ALA 378 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pnc h ALA 378 CO -0.50 0.27 -0.69 0.00 0.00 0.00 0.00 179.25 178.33 2pnc h MET 379 N 0.40 0.00 0.00 0.00 -0.00 0.32 -2.63 114.93 113.02 2pnc h MET 379 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.79 2pnc h MET 379 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.68 2pnc h MET 379 CO -0.01 0.31 -1.87 1.47 -0.00 0.00 0.00 176.91 176.81 2pnc n LEU 380 N -3.06 0.00 -4.63 -0.10 -0.00 -0.69 -4.77 117.00 103.75 2pnc n LEU 380 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2pnc n LEU 380 Cb 0.70 0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 44.11 2pnc n LEU 380 CO 0.40 0.01 1.51 -0.89 -0.00 0.00 0.00 177.39 178.42 2pnc s THR 381 N -3.28 3.43 -0.17 1.47 2.01 -0.46 -4.48 115.64 114.17 2pnc s THR 381 Ca -0.07 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2pnc s THR 381 Cb 0.12 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.24 2pnc s THR 381 CO 0.78 -0.17 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.31 2pnc s ARG 382 N 4.92 1.90 -0.06 4.92 1.81 -0.44 -2.22 118.95 129.77 2pnc s ARG 382 Ca 0.80 -0.61 -0.10 0.00 -1.72 0.00 0.00 55.73 54.10 2pnc s ARG 382 Cb -0.30 -2.13 -0.05 0.00 -0.45 0.00 0.00 34.95 32.02 2pnc s ARG 382 CO 0.33 -0.36 0.26 0.71 -0.68 0.00 0.00 175.30 175.56 2pnc s TYR 383 N 1.52 3.65 -0.57 -0.53 2.02 0.98 -4.05 117.35 120.38 2pnc s TYR 383 Ca 0.02 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.50 2pnc s TYR 383 Cb -0.15 -2.09 0.21 0.00 -0.40 0.00 0.00 41.96 39.54 2pnc s TYR 383 CO -0.09 0.69 0.55 -1.33 -1.57 0.00 0.00 175.55 173.80 2pnc n MET 384 N 1.85 1.51 0.30 -0.62 2.81 -1.26 -3.01 117.12 118.70 2pnc n MET 384 Ca -0.17 -4.04 0.11 0.00 -1.81 0.00 0.00 57.70 51.79 2pnc n MET 384 Cb 0.54 -1.95 0.55 0.00 -0.71 0.00 0.00 33.22 31.65 2pnc n MET 384 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2pnc h ASP 385 N 4.77 0.00 0.37 7.83 3.32 -1.37 0.16 116.42 131.50 2pnc h ASP 385 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2pnc h ASP 385 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2pnc h ASP 385 CO 0.64 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.62 2pnc n SER 386 N -2.83 0.21 0.14 6.45 3.41 -1.26 -0.42 113.62 119.31 2pnc n SER 386 Ca -0.00 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 2pnc n SER 386 Cb 0.62 -0.60 0.47 0.00 -0.26 0.00 0.00 64.21 64.44 2pnc n SER 386 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2pnc h GLY 387 N 1.54 0.00 0.00 5.00 0.00 -0.85 -3.28 103.07 105.48 2pnc h GLY 387 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2pnc h GLY 387 CO 0.00 0.00 -1.85 0.69 0.00 0.00 0.00 176.54 175.38 2pnc n PHE 388 N -2.34 0.00 0.00 5.60 3.01 0.44 -4.76 117.46 119.40 2pnc n PHE 388 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2pnc n PHE 388 Cb 0.31 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 2pnc n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnc n GLY 389 N 2.60 2.52 0.24 1.37 0.00 -0.12 -4.68 105.19 107.12 2pnc n GLY 389 Ca -0.27 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.08 2pnc n GLY 389 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pnc h MET 390 N 0.00 0.00 0.03 1.61 2.86 -1.59 0.15 114.93 117.99 2pnc h MET 390 Ca 0.00 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 2pnc h MET 390 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2pnc h MET 390 CO 0.00 0.17 -1.42 0.78 1.06 0.00 0.00 176.91 177.50 2pnc h GLY 391 N 0.78 0.07 1.10 8.32 0.00 -1.45 -3.15 103.07 108.75 2pnc h GLY 391 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.26 2pnc h GLY 391 CO 0.02 0.15 0.36 -1.82 0.00 0.00 0.00 176.54 175.26 2pnc h TYR 392 N -0.77 0.30 -0.55 5.60 3.20 -0.91 -0.67 116.97 123.16 2pnc h TYR 392 Ca -0.37 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2pnc h TYR 392 Cb 1.47 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.64 2pnc h TYR 392 CO 0.09 0.14 0.00 1.19 -1.64 0.00 0.00 178.16 177.94 2pnc n PHE 393 N -4.46 1.55 -2.07 -3.82 3.72 0.52 -4.97 117.46 107.94 2pnc n PHE 393 Ca 0.09 -0.68 -0.35 0.00 -0.05 0.00 0.00 57.45 56.46 2pnc n PHE 393 Cb 0.40 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 2pnc n PHE 393 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pnc s ALA 394 N -2.24 2.60 0.22 4.37 0.00 -0.26 -0.46 121.76 125.99 2pnc s ALA 394 Ca 0.50 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.33 2pnc s ALA 394 Cb 0.35 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2pnc s ALA 394 CO 0.19 -0.99 -0.19 0.95 0.00 0.00 0.00 175.76 175.73 2pnc s THR 395 N -1.91 2.11 0.22 0.00 -4.23 -0.26 -4.82 115.64 106.76 2pnc s THR 395 Ca 0.72 -2.19 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 2pnc s THR 395 Cb -0.24 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.39 2pnc s THR 395 CO 0.32 -0.39 1.57 -2.84 -0.54 0.00 0.00 174.62 172.74 2pnc s PRO 396 N -3.25 4.19 -0.24 3.99 0.02 -1.26 -4.58 135.00 133.87 2pnc s PRO 396 Ca 0.23 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 2pnc s PRO 396 Cb -0.05 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.37 2pnc s PRO 396 CO 0.10 -0.59 1.24 -0.51 -0.33 0.00 0.00 177.00 176.91 2pnc s LEU 397 N 0.38 4.03 -0.41 -5.54 1.43 -0.39 -4.96 118.68 113.22 2pnc s LEU 397 Ca 0.67 1.41 -0.28 0.00 -1.03 0.00 0.00 54.13 54.90 2pnc s LEU 397 Cb -0.45 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 2pnc s LEU 397 CO 0.38 -0.89 1.74 -0.63 0.23 0.00 0.00 176.35 177.18 2pnc s ILE 398 N 3.85 3.53 0.23 -0.59 1.01 -1.26 -4.91 121.20 123.05 2pnc s ILE 398 Ca 0.54 0.50 -0.32 0.00 0.00 0.00 0.00 60.65 61.37 2pnc s ILE 398 Cb -0.18 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 2pnc s ILE 398 CO 0.17 -0.59 1.62 0.54 0.00 0.00 0.00 174.94 176.68 2pnc n ARG 399 N 8.53 2.54 -0.11 2.79 1.74 -1.26 -0.73 116.66 130.16 2pnc n ARG 399 Ca 0.21 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 2pnc n ARG 399 Cb 0.48 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 2pnc n ARG 399 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pnc n GLY 400 N 3.14 1.62 1.01 -0.13 0.00 0.96 -4.80 105.19 106.99 2pnc n GLY 400 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2pnc n GLY 400 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pnc n VAL 401 N -2.00 0.89 0.08 1.61 0.31 -0.26 -4.80 118.33 114.17 2pnc n VAL 401 Ca 0.00 0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 64.52 2pnc n VAL 401 Cb 0.00 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 2pnc n VAL 401 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2pnc h ASP 402 N -0.02 0.25 -5.00 4.52 3.32 -1.24 -3.46 116.42 114.79 2pnc h ASP 402 Ca 0.00 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.67 2pnc h ASP 402 Cb 0.02 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 39.29 2pnc h ASP 402 CO 0.00 1.08 -0.59 0.00 -1.72 0.00 0.00 179.24 178.01 2pnc n PRO 404 N 1.42 0.81 -0.39 0.00 -0.02 -1.26 -0.02 135.00 135.54 2pnc n PRO 404 Ca -0.23 0.29 0.31 0.00 -2.02 0.00 0.00 63.50 61.84 2pnc n PRO 404 Cb 0.56 -1.60 0.59 0.00 -0.02 0.00 0.00 33.50 33.03 2pnc n PRO 404 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2pnc h TYR 405 N 2.20 0.56 -0.58 6.00 0.05 -1.88 -0.91 116.97 122.41 2pnc h TYR 405 Ca -0.38 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.24 2pnc h TYR 405 Cb 1.38 -0.15 -0.11 0.00 1.01 0.00 0.00 36.73 38.86 2pnc h TYR 405 CO 0.49 -0.08 0.17 1.28 -1.05 0.00 0.00 178.16 178.96 2pnc n LEU 406 N -4.65 5.30 -4.78 3.88 4.77 -1.26 -4.76 117.00 115.50 2pnc n LEU 406 Ca 0.32 -3.30 -0.29 0.00 -0.03 0.00 0.00 56.01 52.70 2pnc n LEU 406 Cb 1.18 -0.69 0.13 0.00 -2.33 0.00 0.00 43.42 41.72 2pnc n LEU 406 CO 0.23 0.88 0.71 0.00 -1.33 0.00 0.00 177.39 177.88 2pnc s ALA 407 N -3.03 1.75 -0.37 -1.18 0.00 -0.35 -5.01 121.76 113.58 2pnc s ALA 407 Ca 0.51 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 2pnc s ALA 407 Cb 0.42 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2pnc s ALA 407 CO 0.10 -2.27 0.55 0.99 0.00 0.00 0.00 175.76 175.12 2pnc s THR 408 N -3.23 4.97 -0.08 0.00 2.01 -0.76 -4.94 115.64 113.61 2pnc s THR 408 Ca 0.64 0.29 -0.05 0.00 0.31 0.00 0.00 61.69 62.88 2pnc s THR 408 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2pnc s THR 408 CO 0.54 -0.30 0.14 -0.31 -0.69 0.00 0.00 174.62 173.99 2pnc s TYR 409 N 2.49 3.53 0.02 4.92 1.51 -1.26 -0.74 117.35 127.81 2pnc s TYR 409 Ca 0.20 0.43 0.04 0.00 -1.01 0.00 0.00 57.07 56.73 2pnc s TYR 409 Cb -0.15 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 2pnc s TYR 409 CO 0.14 0.68 -0.13 -1.64 -1.11 0.00 0.00 175.55 173.49 2pnc s MET 410 N -1.35 0.92 0.63 -0.62 -1.94 -0.42 -4.94 119.30 111.58 2pnc s MET 410 Ca 0.19 -0.64 -0.06 0.00 -1.71 0.00 0.00 55.69 53.47 2pnc s MET 410 Cb -0.12 -0.90 0.03 0.00 2.01 0.00 0.00 34.83 35.84 2pnc s MET 410 CO 0.09 0.23 0.95 -0.51 -0.01 0.00 0.00 175.02 175.77 2pnc s ASP 411 N -0.86 5.31 0.08 3.03 1.01 -1.26 -0.33 116.67 123.65 2pnc s ASP 411 Ca 0.02 0.63 0.03 0.00 0.71 0.00 0.00 52.55 53.94 2pnc s ASP 411 Cb -0.07 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 2pnc s ASP 411 CO 0.01 -1.26 -0.10 0.86 0.21 0.00 0.00 175.17 174.89 2pnc s TRP 412 N -3.09 0.98 0.03 4.23 -0.00 0.23 -4.74 118.94 116.58 2pnc s TRP 412 Ca 0.56 -0.60 0.05 0.00 -0.00 0.00 0.00 56.10 56.11 2pnc s TRP 412 Cb -0.11 -0.55 -0.02 0.00 -0.00 0.00 0.00 33.47 32.79 2pnc s TRP 412 CO 0.45 -0.02 -0.15 -1.01 -0.00 0.00 0.00 176.95 176.22 2pnc s HIS 413 N -2.05 1.27 0.09 5.86 3.76 -1.26 0.11 115.29 123.07 2pnc s HIS 413 Ca 0.01 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.39 2pnc s HIS 413 Cb -0.05 -0.76 0.04 0.00 1.11 0.00 0.00 32.58 32.91 2pnc s HIS 413 CO 0.00 0.03 0.43 -0.59 -0.85 0.00 0.00 174.74 173.77 2pnc s PHE 414 N -0.80 -0.27 -0.30 1.40 -0.71 -0.80 -4.87 117.98 111.63 2pnc s PHE 414 Ca 0.02 0.10 -0.01 0.00 -1.04 0.00 0.00 56.93 56.00 2pnc s PHE 414 Cb -0.08 0.27 0.10 0.00 -1.21 0.00 0.00 43.02 42.10 2pnc s PHE 414 CO 0.01 -0.66 0.09 0.14 -1.34 0.00 0.00 175.22 173.46 2pnc s VAL 415 N -3.20 0.94 -0.08 -2.49 -7.23 -1.26 -1.01 120.40 106.07 2pnc s VAL 415 Ca -0.01 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2pnc s VAL 415 Cb 0.01 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.29 2pnc s VAL 415 CO -0.08 -0.62 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.37 2pnc s VAL 416 N 1.59 0.60 -1.37 1.32 1.01 -1.26 -1.71 120.40 120.58 2pnc s VAL 416 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 2pnc s VAL 416 Cb -0.17 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2pnc s VAL 416 CO -0.23 0.29 0.98 -0.62 0.00 0.00 0.00 175.10 175.52 2pnc n GLU 417 N 4.98 -6.27 -3.63 2.72 1.02 0.16 -4.99 120.64 114.62 2pnc n GLU 417 Ca -0.10 0.71 -0.11 0.00 -0.02 0.00 0.00 57.16 57.63 2pnc n GLU 417 Cb 0.50 -5.59 -0.07 0.00 -0.02 0.00 0.00 31.44 26.26 2pnc n GLU 417 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2pnc s SER 418 N -3.74 -0.63 -0.09 1.62 0.15 -1.26 -3.27 113.70 106.48 2pnc s SER 418 Ca 0.37 1.20 0.14 0.00 0.70 0.00 0.00 55.95 58.37 2pnc s SER 418 Cb -0.18 1.22 0.56 0.00 -1.71 0.00 0.00 66.02 65.92 2pnc s SER 418 CO 0.78 -0.21 1.43 0.00 1.20 0.00 0.00 173.24 176.45 2pnc n GLN 419 N 2.60 3.13 -3.89 5.44 10.64 -1.26 -4.81 117.38 129.22 2pnc n GLN 419 Ca -0.14 -2.21 -0.15 0.00 -1.83 0.00 0.00 57.00 52.67 2pnc n GLN 419 Cb 0.56 -1.76 -0.15 0.00 -0.86 0.00 0.00 30.24 28.03 2pnc n GLN 419 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2pnc s THR 420 N -1.78 0.09 0.30 -0.39 -4.23 -1.26 -5.01 115.64 103.35 2pnc s THR 420 Ca 0.40 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 2pnc s THR 420 Cb 0.26 -0.15 -0.12 0.00 1.34 0.00 0.00 72.50 73.82 2pnc s THR 420 CO 0.19 0.09 1.49 -2.65 -0.54 0.00 0.00 174.62 173.19 2pnc n PRO 421 N 3.75 2.45 -4.13 3.99 -0.02 -1.26 -4.88 135.00 134.89 2pnc n PRO 421 Ca -0.22 0.87 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 2pnc n PRO 421 Cb 0.54 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2pnc n PRO 421 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2pnc s LYS 422 N -0.95 2.62 -0.16 -0.52 3.01 -0.18 -4.97 119.74 118.60 2pnc s LYS 422 Ca 0.62 -0.93 -0.03 0.00 -1.01 0.00 0.00 55.97 54.63 2pnc s LYS 422 Cb -0.54 -2.52 -0.02 0.00 -1.01 0.00 0.00 37.83 33.74 2pnc s LYS 422 CO 0.53 0.50 -0.07 0.99 0.51 0.00 0.00 175.35 177.81 2pnc s THR 423 N -1.58 3.56 -0.58 2.17 2.01 -1.26 -1.90 115.64 118.05 2pnc s THR 423 Ca 0.28 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 2pnc s THR 423 Cb -0.10 -2.55 0.14 0.00 0.01 0.00 0.00 72.50 70.00 2pnc s THR 423 CO 0.20 0.49 0.53 -0.22 -0.69 0.00 0.00 174.62 174.94 2pnc s LEU 424 N 0.51 6.25 0.30 4.42 0.20 0.29 -4.95 118.68 125.71 2pnc s LEU 424 Ca -0.05 -1.94 -0.29 0.00 0.69 0.00 0.00 54.13 52.54 2pnc s LEU 424 Cb -0.15 -2.20 -0.10 0.00 -0.43 0.00 0.00 46.19 43.31 2pnc s LEU 424 CO 0.03 -0.80 1.40 -1.00 -0.29 0.00 0.00 176.35 175.69 2pnc s HIS 425 N 1.36 2.95 -1.42 5.38 3.76 -1.26 -0.60 115.29 125.45 2pnc s HIS 425 Ca 0.06 1.19 -0.01 0.00 -0.15 0.00 0.00 55.06 56.15 2pnc s HIS 425 Cb -0.27 -3.81 0.01 0.00 1.11 0.00 0.00 32.58 29.62 2pnc s HIS 425 CO 0.01 -2.45 0.41 -0.25 -0.85 0.00 0.00 174.74 171.61 2pnc n ASP 426 N 1.44 -0.33 0.08 1.40 10.43 -1.24 -4.15 116.55 124.19 2pnc n ASP 426 Ca 0.03 -1.02 -0.02 0.00 2.57 0.00 0.00 54.79 56.35 2pnc n ASP 426 Cb 0.41 -2.98 0.22 0.00 1.84 0.00 0.00 41.12 40.61 2pnc n ASP 426 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pnc h ALA 427 N 0.84 1.09 -2.44 2.24 0.00 -0.60 -1.04 119.26 119.35 2pnc h ALA 427 Ca -0.63 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.29 2pnc h ALA 427 Cb 1.38 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 2pnc h ALA 427 CO 0.63 0.59 -0.77 -0.06 0.00 0.00 0.00 179.25 179.64 2pnc s PHE 428 N -4.18 2.14 -0.10 0.00 0.40 -0.32 -4.47 117.98 111.45 2pnc s PHE 428 Ca -0.05 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2pnc s PHE 428 Cb 0.13 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.74 2pnc s PHE 428 CO 0.78 0.58 0.23 0.00 0.70 0.00 0.00 175.22 177.50 2pnc s VAL 430 N 1.08 1.89 0.09 0.00 1.01 0.08 -0.96 120.40 123.59 2pnc s VAL 430 Ca -0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2pnc s VAL 430 Cb -0.09 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2pnc s VAL 430 CO -0.07 0.52 0.52 0.72 0.00 0.00 0.00 175.10 176.79 2pnc s PHE 431 N 0.40 -0.41 -0.08 5.22 -0.71 -0.54 -1.84 117.98 120.03 2pnc s PHE 431 Ca -0.18 0.34 -0.17 0.00 -1.04 0.00 0.00 56.93 55.87 2pnc s PHE 431 Cb -0.18 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 2pnc s PHE 431 CO 0.08 -0.70 0.47 -1.21 -1.34 0.00 0.00 175.22 172.51 2pnc s GLU 432 N -2.98 4.24 -0.18 1.99 0.41 -1.25 0.10 118.70 121.03 2pnc s GLU 432 Ca -0.02 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 2pnc s GLU 432 Cb -0.00 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.98 2pnc s GLU 432 CO -0.06 0.31 -0.17 -1.14 -0.49 0.00 0.00 175.26 173.70 2pnc s GLN 433 N 0.14 3.08 -0.34 1.61 2.00 0.10 -4.91 119.66 121.35 2pnc s GLN 433 Ca 0.26 -0.79 -0.28 0.00 -2.00 0.00 0.00 55.36 52.54 2pnc s GLN 433 Cb -0.16 -2.62 -0.01 0.00 0.80 0.00 0.00 33.01 31.02 2pnc s GLN 433 CO 0.11 -0.15 1.73 1.21 -0.50 0.00 0.00 175.29 177.70 2pnc s ASN 434 N 1.18 5.98 0.55 6.67 3.84 -1.26 -0.95 114.94 130.94 2pnc s ASN 434 Ca 0.02 1.24 0.30 0.00 0.21 0.00 0.00 52.86 54.63 2pnc s ASN 434 Cb -0.14 -2.53 1.46 0.00 -0.55 0.00 0.00 41.25 39.50 2pnc s ASN 434 CO -0.08 -1.65 1.91 0.50 -2.79 0.00 0.00 177.10 174.98 2pnc h LYS 435 N 12.47 0.00 0.00 0.43 1.63 0.12 -3.45 116.57 127.77 2pnc h LYS 435 Ca -0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2pnc h LYS 435 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2pnc h LYS 435 CO 1.04 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 177.45 2pnc n GLY 436 N -1.65 0.75 2.82 5.01 0.00 -1.26 -5.04 105.19 105.82 2pnc n GLY 436 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2pnc n GLY 436 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pnc s LEU 437 N 0.00 1.38 0.21 0.99 2.96 -1.26 -5.09 118.68 117.86 2pnc s LEU 437 Ca 0.00 0.01 -0.32 0.00 -0.22 0.00 0.00 54.13 53.60 2pnc s LEU 437 Cb 0.00 -0.10 -0.12 0.00 0.50 0.00 0.00 46.19 46.47 2pnc s LEU 437 CO 0.00 -0.08 1.69 -2.16 -1.32 0.00 0.00 176.35 174.48 2pnc s PRO 438 N 0.73 4.14 0.19 0.98 0.04 -1.26 -3.67 135.00 136.14 2pnc s PRO 438 Ca -0.06 2.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 2pnc s PRO 438 Cb -0.09 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.47 2pnc s PRO 438 CO -0.02 -0.72 1.83 1.25 0.04 0.00 0.00 177.00 179.39 2pnc h LEU 439 N 6.64 0.77 -7.40 -3.56 5.85 -1.33 -3.46 115.31 112.82 2pnc h LEU 439 Ca -0.43 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2pnc h LEU 439 Cb 1.20 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.93 2pnc h LEU 439 CO 0.94 0.59 0.12 0.00 -0.34 0.00 0.00 178.44 179.74 2pnc s ARG 440 N -6.02 1.35 -0.05 1.25 1.70 -1.21 -5.01 118.95 110.96 2pnc s ARG 440 Ca -0.13 -0.70 0.06 0.00 -0.47 0.00 0.00 55.73 54.49 2pnc s ARG 440 Cb 0.14 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 35.06 2pnc s ARG 440 CO 0.77 -0.58 -0.24 1.03 -1.08 0.00 0.00 175.30 175.20 2pnc s ARG 441 N -3.82 2.32 0.00 3.89 0.52 -1.26 -1.07 118.95 119.53 2pnc s ARG 441 Ca 0.05 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 2pnc s ARG 441 Cb -0.01 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2pnc s ARG 441 CO -0.07 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2pnc n GLY 452 N 2.87 0.00 0.00 -3.53 0.00 -1.26 -4.70 105.19 98.57 2pnc n GLY 452 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2pnc n GLY 452 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 453 N 0.00 5.39 3.06 -0.02 0.00 -1.26 -5.18 105.19 107.18 2pnc n GLY 453 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 2pnc n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnc s VAL 454 N 1.59 0.58 0.71 1.61 0.11 -0.23 -5.01 120.40 119.75 2pnc s VAL 454 Ca 0.00 -1.04 -0.11 0.00 -2.93 0.00 0.00 61.98 57.90 2pnc s VAL 454 Cb 0.00 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2pnc s VAL 454 CO 0.00 -0.33 1.07 0.00 -3.33 0.00 0.00 175.10 172.51 2pnc s ALA 455 N -1.28 2.72 -0.29 1.54 0.00 -1.26 -1.18 121.76 122.00 2pnc s ALA 455 Ca -0.08 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.77 2pnc s ALA 455 Cb -0.09 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 19.99 2pnc s ALA 455 CO 0.01 -1.21 -0.04 -1.14 0.00 0.00 0.00 175.76 173.38 2pnc s GLN 456 N -5.17 2.14 -0.02 0.00 0.74 -1.24 -4.27 119.66 111.83 2pnc s GLN 456 Ca 0.58 -1.45 0.08 0.00 0.05 0.00 0.00 55.36 54.62 2pnc s GLN 456 Cb -0.13 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 2pnc s GLN 456 CO 0.54 -0.67 -0.26 0.95 -0.55 0.00 0.00 175.29 175.30 2pnc s THR 457 N 1.11 2.04 0.20 -0.34 -4.23 -1.26 0.16 115.64 113.32 2pnc s THR 457 Ca -0.04 -1.10 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 2pnc s THR 457 Cb -0.20 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2pnc s THR 457 CO -0.05 0.58 -0.18 0.68 -0.54 0.00 0.00 174.62 175.11 2pnc s VAL 458 N -0.57 1.97 -0.16 2.29 -7.23 -0.13 -4.38 120.40 112.20 2pnc s VAL 458 Ca 0.09 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 2pnc s VAL 458 Cb -0.10 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2pnc s VAL 458 CO -0.01 -0.40 0.24 -0.22 -0.31 0.00 0.00 175.10 174.40 2pnc s LEU 459 N -3.04 4.26 -0.19 1.32 2.96 -0.99 0.02 118.68 123.03 2pnc s LEU 459 Ca 0.21 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2pnc s LEU 459 Cb -0.04 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.39 2pnc s LEU 459 CO 0.09 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.42 2pnc s VAL 460 N 0.22 1.94 -0.36 1.68 1.01 0.28 -1.41 120.40 123.77 2pnc s VAL 460 Ca 0.15 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2pnc s VAL 460 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2pnc s VAL 460 CO 0.03 0.41 0.23 0.12 0.00 0.00 0.00 175.10 175.89 2pnc s PHE 461 N 1.31 3.22 0.15 5.22 5.36 -1.13 -1.46 117.98 130.65 2pnc s PHE 461 Ca 0.03 -0.54 0.10 0.00 -0.96 0.00 0.00 56.93 55.56 2pnc s PHE 461 Cb -0.14 -2.47 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 2pnc s PHE 461 CO -0.11 -0.49 -0.20 1.03 -1.46 0.00 0.00 175.22 173.99 2pnc s ARG 462 N 1.65 1.70 0.03 10.12 0.52 -0.13 -2.72 118.95 130.12 2pnc s ARG 462 Ca 0.05 -1.32 -0.23 0.00 -0.52 0.00 0.00 55.73 53.71 2pnc s ARG 462 Cb -0.18 -2.01 0.05 0.00 0.52 0.00 0.00 34.95 33.33 2pnc s ARG 462 CO 0.09 0.44 0.52 -1.54 0.02 0.00 0.00 175.30 174.83 2pnc s SER 463 N -2.40 -0.45 -0.08 0.23 1.04 -1.07 -2.44 113.70 108.53 2pnc s SER 463 Ca 0.19 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2pnc s SER 463 Cb -0.09 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2pnc s SER 463 CO 0.10 -0.69 -0.08 -0.69 0.98 0.00 0.00 173.24 172.86 2pnc s VAL 464 N -2.24 0.93 -0.16 5.02 1.01 -1.26 -0.43 120.40 123.27 2pnc s VAL 464 Ca -0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2pnc s VAL 464 Cb -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2pnc s VAL 464 CO -0.00 0.33 0.13 -0.44 0.00 0.00 0.00 175.10 175.12 2pnc s SER 465 N 1.11 6.29 -0.06 3.32 0.01 0.87 -1.11 113.70 124.13 2pnc s SER 465 Ca -0.07 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2pnc s SER 465 Cb -0.14 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.04 2pnc s SER 465 CO -0.01 0.30 -0.03 -0.89 0.41 0.00 0.00 173.24 173.02 2pnc s THR 466 N -0.35 0.50 -0.17 1.44 2.01 0.39 -0.29 115.64 119.18 2pnc s THR 466 Ca 0.11 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2pnc s THR 466 Cb -0.12 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 71.88 2pnc s THR 466 CO 0.01 0.24 0.02 -0.04 -0.69 0.00 0.00 174.62 174.17 2pnc s MET 467 N 1.34 0.70 -1.18 4.92 -1.94 -1.26 -4.70 119.30 117.18 2pnc s MET 467 Ca -0.04 -0.32 -0.06 0.00 -1.71 0.00 0.00 55.69 53.55 2pnc s MET 467 Cb -0.13 -1.88 -0.02 0.00 2.01 0.00 0.00 34.83 34.81 2pnc s MET 467 CO -0.02 -0.56 0.82 1.28 -0.01 0.00 0.00 175.02 176.53 2pnc n LEU 468 N 5.06 -3.90 -3.00 -0.03 4.77 -1.26 -4.76 117.00 113.87 2pnc n LEU 468 Ca -0.09 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 54.98 2pnc n LEU 468 Cb 0.48 -2.83 0.01 0.00 -2.33 0.00 0.00 43.42 38.75 2pnc n LEU 468 CO 0.13 0.33 -0.27 0.59 -1.33 0.00 0.00 177.39 176.84 2pnc n ASN 469 N -3.03 -7.26 0.00 -1.43 5.03 -1.26 -4.83 115.26 102.48 2pnc n ASN 469 Ca -0.19 0.63 0.00 0.00 0.87 0.00 0.00 54.58 55.90 2pnc n ASN 469 Cb 0.64 -3.98 0.00 0.00 -1.02 0.00 0.00 39.78 35.42 2pnc n ASN 469 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2pnc n ASP 471 N 0.28 0.00 -4.59 6.41 8.00 -0.69 -2.20 116.55 123.76 2pnc n ASP 471 Ca 0.02 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.13 2pnc n ASP 471 Cb 0.38 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 2pnc n ASP 471 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pnc s TYR 472 N 0.00 3.23 -0.35 1.24 4.12 0.61 -1.89 117.35 124.31 2pnc s TYR 472 Ca 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 57.07 57.23 2pnc s TYR 472 Cb 0.00 -2.56 0.00 0.00 -1.52 0.00 0.00 41.96 37.88 2pnc s TYR 472 CO 0.00 -0.27 0.21 0.54 0.02 0.00 0.00 175.55 176.06 2pnc s VAL 473 N 2.01 4.89 -0.22 0.71 0.11 -0.08 -0.09 120.40 127.72 2pnc s VAL 473 Ca 0.13 -0.51 -0.16 0.00 -2.93 0.00 0.00 61.98 58.50 2pnc s VAL 473 Cb -0.16 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2pnc s VAL 473 CO 0.11 -0.09 0.43 0.26 -3.33 0.00 0.00 175.10 172.48 2pnc s TRP 474 N 1.64 3.35 -0.02 1.54 0.52 0.43 -2.08 118.94 124.32 2pnc s TRP 474 Ca 0.04 0.62 0.07 0.00 0.02 0.00 0.00 56.10 56.85 2pnc s TRP 474 Cb -0.18 -2.58 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2pnc s TRP 474 CO 0.08 -0.08 -0.22 -0.51 0.02 0.00 0.00 176.95 176.23 2pnc s ASP 475 N 1.19 2.66 -0.31 2.95 1.11 0.19 -2.61 116.67 121.85 2pnc s ASP 475 Ca 0.20 -0.42 -0.02 0.00 0.18 0.00 0.00 52.55 52.49 2pnc s ASP 475 Cb -0.15 -0.38 0.10 0.00 1.07 0.00 0.00 42.92 43.56 2pnc s ASP 475 CO 0.09 0.26 0.12 -0.04 1.18 0.00 0.00 175.17 176.78 2pnc s MET 476 N -0.44 0.49 -0.22 8.23 -1.94 -1.10 0.59 119.30 124.91 2pnc s MET 476 Ca 0.06 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 2pnc s MET 476 Cb -0.09 -1.62 -0.05 0.00 2.01 0.00 0.00 34.83 35.08 2pnc s MET 476 CO -0.00 -1.01 0.22 0.54 -0.01 0.00 0.00 175.02 174.76 2pnc s VAL 477 N 1.78 5.33 -0.26 -6.03 0.11 0.20 -2.85 120.40 118.67 2pnc s VAL 477 Ca 0.10 0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 59.38 2pnc s VAL 477 Cb -0.17 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2pnc s VAL 477 CO -0.29 0.34 0.15 -0.36 -3.33 0.00 0.00 175.10 171.61 2pnc s PHE 478 N 0.98 3.21 0.21 1.54 0.40 -0.50 0.20 117.98 124.02 2pnc s PHE 478 Ca 0.11 0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.38 2pnc s PHE 478 Cb -0.13 -2.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.02 2pnc s PHE 478 CO 0.04 -0.14 0.50 0.71 0.70 0.00 0.00 175.22 177.04 2pnc s TYR 479 N 1.50 3.44 -1.52 0.36 1.51 0.16 -2.34 117.35 120.46 2pnc s TYR 479 Ca 0.07 0.77 0.07 0.00 -1.01 0.00 0.00 57.07 56.97 2pnc s TYR 479 Cb -0.15 -2.18 0.36 0.00 -0.11 0.00 0.00 41.96 39.88 2pnc s TYR 479 CO 0.07 0.30 1.05 -0.35 -1.11 0.00 0.00 175.55 175.52 2pnc n PRO 480 N -0.14 0.12 -0.20 -1.71 -0.04 -1.26 -1.50 135.00 130.27 2pnc n PRO 480 Ca -0.00 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2pnc n PRO 480 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2pnc n PRO 480 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pnc n ASN 481 N -1.24 3.08 0.00 3.54 6.94 -1.26 -4.80 115.26 121.52 2pnc n ASN 481 Ca 0.04 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2pnc n ASN 481 Cb 0.05 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2pnc n ASN 481 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pnc n GLY 482 N 0.88 0.51 3.82 4.83 0.00 -0.57 -4.83 105.19 109.83 2pnc n GLY 482 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2pnc n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnc s ALA 483 N -2.22 3.11 -0.09 4.61 0.00 -1.25 -4.72 121.76 121.20 2pnc s ALA 483 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2pnc s ALA 483 Cb 0.00 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.06 2pnc s ALA 483 CO 0.00 0.17 -0.10 0.42 0.00 0.00 0.00 175.76 176.25 2pnc s ILE 484 N -2.11 1.09 -0.28 0.00 1.01 -0.56 0.40 121.20 120.76 2pnc s ILE 484 Ca 0.60 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.79 2pnc s ILE 484 Cb -0.10 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2pnc s ILE 484 CO 0.14 0.36 0.05 -0.70 0.00 0.00 0.00 174.94 174.79 2pnc s GLU 485 N 1.13 3.08 -0.29 2.79 2.12 0.13 -0.78 118.70 126.87 2pnc s GLU 485 Ca -0.06 -0.86 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 2pnc s GLU 485 Cb -0.14 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2pnc s GLU 485 CO -0.02 -0.42 0.21 0.08 -0.54 0.00 0.00 175.26 174.58 2pnc s VAL 486 N 1.47 5.30 0.03 3.70 1.01 -0.96 0.62 120.40 131.56 2pnc s VAL 486 Ca 0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2pnc s VAL 486 Cb -0.17 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2pnc s VAL 486 CO 0.01 0.19 -0.13 -0.54 0.00 0.00 0.00 175.10 174.63 2pnc s LYS 487 N 1.78 0.91 -0.07 2.72 -0.14 0.20 -1.80 119.74 123.33 2pnc s LYS 487 Ca 0.07 -0.67 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 2pnc s LYS 487 Cb -0.16 -0.89 0.01 0.00 -1.68 0.00 0.00 37.83 35.10 2pnc s LYS 487 CO 0.11 0.23 -0.16 -1.17 -0.76 0.00 0.00 175.35 173.60 2pnc s LEU 488 N -0.94 1.79 -0.03 3.17 2.96 0.72 0.56 118.68 126.91 2pnc s LEU 488 Ca 0.02 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2pnc s LEU 488 Cb -0.07 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2pnc s LEU 488 CO 0.01 0.08 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.89 2pnc s HIS 489 N 0.48 2.11 0.21 5.38 3.76 -0.88 -1.97 115.29 124.38 2pnc s HIS 489 Ca -0.14 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.36 2pnc s HIS 489 Cb -0.15 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2pnc s HIS 489 CO 0.05 -0.08 0.31 0.00 -0.85 0.00 0.00 174.74 174.17 2pnc s ALA 490 N -0.43 3.89 -0.06 -1.40 0.00 -1.26 -0.91 121.76 121.59 2pnc s ALA 490 Ca 0.06 -1.18 -0.32 0.00 0.00 0.00 0.00 51.96 50.52 2pnc s ALA 490 Cb -0.10 -1.69 0.12 0.00 0.00 0.00 0.00 23.12 21.45 2pnc s ALA 490 CO 0.00 0.35 1.20 -0.08 0.00 0.00 0.00 175.76 177.23 2pnc s THR 491 N -1.91 0.00 0.00 0.00 -1.32 -0.79 -4.22 115.64 107.40 2pnc s THR 491 Ca 0.34 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2pnc s THR 491 Cb -0.10 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 2pnc s THR 491 CO 0.28 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2pnc n GLY 492 N -0.32 -0.49 3.69 6.08 0.00 -1.05 -1.71 105.19 111.39 2pnc n GLY 492 Ca -0.05 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2pnc n GLY 492 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnc s TYR 493 N 0.00 3.50 0.62 1.61 4.12 -0.94 -1.04 117.35 125.22 2pnc s TYR 493 Ca 0.00 1.37 -0.13 0.00 0.02 0.00 0.00 57.07 58.33 2pnc s TYR 493 Cb 0.00 -3.01 -0.03 0.00 -1.52 0.00 0.00 41.96 37.40 2pnc s TYR 493 CO 0.00 -0.13 1.03 0.96 0.02 0.00 0.00 175.55 177.43 2pnc s ILE 494 N 1.67 4.33 0.23 2.71 -4.36 -1.26 -4.94 121.20 119.58 2pnc s ILE 494 Ca 0.42 0.88 -0.30 0.00 -0.26 0.00 0.00 60.65 61.39 2pnc s ILE 494 Cb -0.18 -3.62 -0.09 0.00 1.25 0.00 0.00 42.46 39.83 2pnc s ILE 494 CO 0.17 -0.87 1.08 -0.94 0.24 0.00 0.00 174.94 174.62 2pnc s SER 495 N -3.62 7.32 0.30 4.36 1.04 -1.26 -4.85 113.70 117.00 2pnc s SER 495 Ca 0.58 2.15 0.09 0.00 0.48 0.00 0.00 55.95 59.25 2pnc s SER 495 Cb -0.12 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 2pnc s SER 495 CO 0.47 -0.14 0.06 -0.44 0.98 0.00 0.00 173.24 174.17 2pnc s SER 496 N -0.58 4.57 0.03 7.02 0.01 -1.25 -4.24 113.70 119.26 2pnc s SER 496 Ca 0.46 -0.73 -0.05 0.00 1.31 0.00 0.00 55.95 56.95 2pnc s SER 496 Cb -0.30 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 2pnc s SER 496 CO 0.37 -0.14 0.07 0.00 0.41 0.00 0.00 173.24 173.95 2pnc s ALA 497 N -2.38 -0.05 0.10 1.44 0.00 -0.76 -4.90 121.76 115.21 2pnc s ALA 497 Ca 0.34 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 2pnc s ALA 497 Cb -0.04 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 2pnc s ALA 497 CO 0.21 -0.27 1.64 0.12 0.00 0.00 0.00 175.76 177.46 2pnc s PHE 498 N -2.23 2.59 -0.38 0.00 5.36 -1.26 -0.30 117.98 121.75 2pnc s PHE 498 Ca -0.08 0.39 -0.28 0.00 -0.96 0.00 0.00 56.93 56.00 2pnc s PHE 498 Cb -0.04 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.70 2pnc s PHE 498 CO -0.03 -3.79 1.05 -1.17 -1.46 0.00 0.00 175.22 169.82 2pnc s LEU 499 N 2.22 3.87 0.15 6.12 2.96 -0.69 -4.73 118.68 128.57 2pnc s LEU 499 Ca 0.73 0.71 -0.20 0.00 -0.22 0.00 0.00 54.13 55.15 2pnc s LEU 499 Cb -0.41 -3.45 0.05 0.00 0.50 0.00 0.00 46.19 42.88 2pnc s LEU 499 CO 0.32 -0.99 0.52 0.72 -1.32 0.00 0.00 176.35 175.60 2pnc s PHE 500 N 3.84 -0.39 0.00 5.38 -0.71 -1.26 -4.83 117.98 120.01 2pnc s PHE 500 Ca 0.44 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.46 2pnc s PHE 500 Cb -0.11 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 2pnc s PHE 500 CO 0.21 -0.80 0.00 0.41 -1.34 0.00 0.00 175.22 173.71 2pnc n GLY 501 N -0.32 2.46 1.86 1.99 0.00 -1.26 -2.50 105.19 107.43 2pnc n GLY 501 Ca -0.16 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 2pnc n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnc n ALA 502 N 7.78 5.62 0.01 4.61 0.00 -1.26 -4.52 120.51 132.75 2pnc n ALA 502 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 53.44 52.15 2pnc n ALA 502 Cb 0.00 -1.94 0.27 0.00 0.00 0.00 0.00 19.45 17.78 2pnc n ALA 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc h ALA 503 N 2.46 1.28 0.00 0.00 0.00 -1.89 -2.19 119.26 118.92 2pnc h ALA 503 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pnc h ALA 503 Cb 1.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2pnc h ALA 503 CO 0.17 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.43 2pnc n ARG 504 N -4.22 0.02 0.12 0.00 3.00 -1.26 -0.35 116.66 113.98 2pnc n ARG 504 Ca 0.01 0.28 0.13 0.00 -0.01 0.00 0.00 57.85 58.26 2pnc n ARG 504 Cb 0.30 -1.55 0.44 0.00 0.00 0.00 0.00 32.46 31.65 2pnc n ARG 504 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2pnc n ARG 505 N -1.59 0.25 -0.52 5.56 0.63 -0.82 -3.46 116.66 116.70 2pnc n ARG 505 Ca 0.03 0.30 0.07 0.00 -0.92 0.00 0.00 57.85 57.33 2pnc n ARG 505 Cb 0.17 -1.85 0.14 0.00 0.45 0.00 0.00 32.46 31.37 2pnc n ARG 505 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2pnc n TYR 506 N -2.29 0.00 0.00 -0.14 4.01 0.53 -5.00 117.16 114.27 2pnc n TYR 506 Ca 0.04 -1.06 0.00 0.00 -0.16 0.00 0.00 57.90 56.72 2pnc n TYR 506 Cb 0.36 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2pnc n TYR 506 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnc n GLY 507 N -0.92 0.90 3.28 2.72 0.00 -1.08 -1.60 105.19 108.49 2pnc n GLY 507 Ca 0.15 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 2pnc n GLY 507 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pnc s ASN 508 N -4.00 2.71 0.01 1.61 0.01 -1.18 -4.16 114.94 109.94 2pnc s ASN 508 Ca 0.00 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.30 2pnc s ASN 508 Cb 0.00 -0.23 -0.06 0.00 0.41 0.00 0.00 41.25 41.37 2pnc s ASN 508 CO 0.00 0.19 1.48 -1.58 -1.51 0.00 0.00 177.10 175.68 2pnc s GLN 509 N -1.20 4.25 0.00 -0.60 0.74 -1.26 -0.45 119.66 121.13 2pnc s GLN 509 Ca 0.09 2.06 0.08 0.00 0.05 0.00 0.00 55.36 57.64 2pnc s GLN 509 Cb -0.09 -3.61 0.03 0.00 1.10 0.00 0.00 33.01 30.44 2pnc s GLN 509 CO 0.02 -0.64 0.66 1.33 -0.55 0.00 0.00 175.29 176.11 2pnc n VAL 510 N 4.75 0.00 -3.56 1.34 0.24 -0.51 -4.78 118.33 115.81 2pnc n VAL 510 Ca 0.14 -0.46 -0.02 0.00 -2.04 0.00 0.00 64.34 61.96 2pnc n VAL 510 Cb 0.43 1.13 0.01 0.00 -1.47 0.00 0.00 33.84 33.94 2pnc n VAL 510 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pnc n GLY 511 N 0.62 1.15 3.65 7.63 0.00 -1.20 -4.93 105.19 112.11 2pnc n GLY 511 Ca 0.04 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2pnc n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pnc s GLU 512 N -2.03 4.15 -1.41 1.61 -1.05 -1.26 -2.95 118.70 115.75 2pnc s GLU 512 Ca 0.10 1.48 0.00 0.00 -0.15 0.00 0.00 54.97 56.40 2pnc s GLU 512 Cb -0.02 -3.77 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 2pnc s GLU 512 CO 0.04 -0.81 0.00 0.72 0.95 0.00 0.00 175.26 176.16 2pnc n HIS 513 N 6.83 -0.28 -4.25 4.83 8.25 -1.26 -5.00 115.22 124.35 2pnc n HIS 513 Ca 0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.33 2pnc n HIS 513 Cb 0.46 -2.77 -0.17 0.00 1.12 0.00 0.00 29.99 28.63 2pnc n HIS 513 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2pnc s THR 514 N -2.61 1.15 -0.00 1.59 2.01 -1.15 -1.71 115.64 114.91 2pnc s THR 514 Ca 0.00 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2pnc s THR 514 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2pnc s THR 514 CO 0.00 0.37 0.03 -0.22 -0.69 0.00 0.00 174.62 174.12 2pnc s LEU 515 N 1.19 3.66 -0.57 4.42 2.96 0.59 -1.42 118.68 129.49 2pnc s LEU 515 Ca -0.04 0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.77 2pnc s LEU 515 Cb -0.14 -2.12 0.14 0.00 0.50 0.00 0.00 46.19 44.58 2pnc s LEU 515 CO -0.03 0.27 0.51 -0.83 -1.32 0.00 0.00 176.35 174.96 2pnc s GLY 516 N -1.64 2.18 0.43 7.98 0.00 0.40 -1.83 107.32 114.84 2pnc s GLY 516 Ca 0.21 -2.69 -0.25 0.00 0.00 0.00 0.00 44.72 41.99 2pnc s GLY 516 CO 0.12 1.19 1.28 -4.14 0.00 0.00 0.00 173.10 171.54 2pnc s PRO 517 N 1.27 3.85 0.68 2.90 0.02 -1.26 -3.09 135.00 139.37 2pnc s PRO 517 Ca 0.06 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 63.00 2pnc s PRO 517 Cb -0.26 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.63 2pnc s PRO 517 CO 0.00 -0.56 1.24 0.08 -0.33 0.00 0.00 177.00 177.42 2pnc s VAL 518 N -1.32 2.26 -0.16 3.83 1.01 -0.63 -4.61 120.40 120.79 2pnc s VAL 518 Ca 0.59 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 2pnc s VAL 518 Cb -0.36 -2.89 0.13 0.00 0.00 0.00 0.00 36.38 33.26 2pnc s VAL 518 CO 0.46 -0.05 1.03 -1.38 0.00 0.00 0.00 175.10 175.15 2pnc s HIS 519 N -1.71 -0.33 -0.05 5.22 -3.43 -1.09 -1.31 115.29 112.59 2pnc s HIS 519 Ca 0.78 0.51 0.00 0.00 -0.80 0.00 0.00 55.06 55.55 2pnc s HIS 519 Cb -0.32 0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 31.26 2pnc s HIS 519 CO 0.41 -0.33 -0.02 0.95 -2.00 0.00 0.00 174.74 173.75 2pnc s THR 520 N -1.38 4.06 -0.08 -5.38 -4.23 -0.16 -0.97 115.64 107.50 2pnc s THR 520 Ca 0.00 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2pnc s THR 520 Cb -0.01 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2pnc s THR 520 CO -0.01 0.53 0.04 -1.00 -0.54 0.00 0.00 174.62 173.64 2pnc s HIS 521 N -0.93 3.27 -0.01 3.99 3.76 -0.47 -1.99 115.29 122.90 2pnc s HIS 521 Ca 0.15 0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 2pnc s HIS 521 Cb -0.11 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.78 2pnc s HIS 521 CO 0.05 0.54 0.23 -1.12 -0.85 0.00 0.00 174.74 173.58 2pnc s SER 522 N -1.06 -0.10 -0.04 1.40 0.01 -0.57 -1.35 113.70 111.99 2pnc s SER 522 Ca 0.15 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 2pnc s SER 522 Cb -0.12 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2pnc s SER 522 CO 0.05 -0.38 0.11 0.00 0.41 0.00 0.00 173.24 173.43 2pnc s ALA 523 N -1.20 -0.25 -0.13 1.44 0.00 0.32 -0.19 121.76 121.74 2pnc s ALA 523 Ca -0.13 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 2pnc s ALA 523 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2pnc s ALA 523 CO 0.03 -0.07 -0.08 -1.58 0.00 0.00 0.00 175.76 174.06 2pnc s HIS 524 N 0.24 2.93 -0.03 0.00 2.46 -0.14 -1.83 115.29 118.93 2pnc s HIS 524 Ca -0.02 -0.37 0.07 0.00 0.47 0.00 0.00 55.06 55.21 2pnc s HIS 524 Cb -0.03 -1.88 -0.02 0.00 -0.13 0.00 0.00 32.58 30.52 2pnc s HIS 524 CO -0.01 -0.04 -0.24 0.71 -2.47 0.00 0.00 174.74 172.69 2pnc s TYR 525 N 0.19 2.41 -0.43 3.88 1.51 -0.47 -0.14 117.35 124.30 2pnc s TYR 525 Ca -0.04 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 2pnc s TYR 525 Cb -0.14 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2pnc s TYR 525 CO 0.04 -0.02 0.38 0.21 -1.11 0.00 0.00 175.55 175.05 2pnc s LYS 526 N -0.59 3.02 -0.68 -0.62 2.20 0.05 -1.72 119.74 121.41 2pnc s LYS 526 Ca 0.09 -0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 2pnc s LYS 526 Cb -0.10 -4.00 0.17 0.00 -1.51 0.00 0.00 37.83 32.39 2pnc s LYS 526 CO -0.00 -0.84 0.51 0.08 -0.36 0.00 0.00 175.35 174.74 2pnc s VAL 527 N 1.88 3.97 -1.18 4.02 1.01 0.30 -2.01 120.40 128.38 2pnc s VAL 527 Ca 0.08 -3.05 -0.18 0.00 0.00 0.00 0.00 61.98 58.82 2pnc s VAL 527 Cb -0.19 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.74 2pnc s VAL 527 CO 0.11 -0.92 1.54 -0.62 0.00 0.00 0.00 175.10 175.21 2pnc s ASP 528 N 0.68 6.81 0.05 3.32 2.15 -0.30 -0.40 116.67 128.98 2pnc s ASP 528 Ca 0.18 -2.35 -0.30 0.00 0.43 0.00 0.00 52.55 50.51 2pnc s ASP 528 Cb -0.18 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 2pnc s ASP 528 CO -0.05 -1.12 1.12 -0.76 -0.17 0.00 0.00 175.17 174.19 2pnc s LEU 529 N 3.53 4.38 -0.71 -1.34 1.43 -1.26 -1.86 118.68 122.85 2pnc s LEU 529 Ca 0.47 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.52 2pnc s LEU 529 Cb 0.01 -3.58 0.29 0.00 0.03 0.00 0.00 46.19 42.94 2pnc s LEU 529 CO 0.01 -0.38 1.00 0.47 0.23 0.00 0.00 176.35 177.67 2pnc n ASP 530 N 3.78 4.64 -4.61 2.29 8.00 0.19 -4.64 116.55 126.19 2pnc n ASP 530 Ca 0.07 -3.54 -0.43 0.00 0.71 0.00 0.00 54.79 51.61 2pnc n ASP 530 Cb 0.48 -0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2pnc n ASP 530 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pnc s VAL 531 N -3.30 3.26 -1.91 2.53 1.01 -1.25 -2.11 120.40 118.63 2pnc s VAL 531 Ca 0.42 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2pnc s VAL 531 Cb 0.18 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2pnc s VAL 531 CO -0.04 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2pnc n GLY 532 N 5.41 1.23 0.00 4.51 0.00 -1.26 -3.77 105.19 111.31 2pnc n GLY 532 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pnc n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnc n GLY 533 N -0.74 0.50 0.14 -0.02 0.00 -0.90 -4.81 105.19 99.35 2pnc n GLY 533 Ca -0.20 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.44 2pnc n GLY 533 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pnc h LEU 534 N 0.00 -0.20 -8.85 0.99 4.07 -1.84 -3.41 115.31 106.07 2pnc h LEU 534 Ca 0.00 -0.34 -0.55 0.00 0.08 0.00 0.00 57.88 57.07 2pnc h LEU 534 Cb 0.00 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2pnc h LEU 534 CO 0.00 0.31 1.48 -0.70 -1.08 0.00 0.00 178.44 178.45 2pnc s GLU 535 N -3.81 2.91 0.14 1.13 2.12 -1.26 -4.14 118.70 115.77 2pnc s GLU 535 Ca -0.13 1.71 0.08 0.00 0.36 0.00 0.00 54.97 56.98 2pnc s GLU 535 Cb 0.01 -4.39 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 2pnc s GLU 535 CO 0.52 -2.36 -0.18 -0.80 -0.54 0.00 0.00 175.26 171.90 2pnc s ASN 536 N 8.76 2.52 0.41 -1.70 0.02 -0.69 -4.24 114.94 120.02 2pnc s ASN 536 Ca 0.94 -0.79 0.07 0.00 -1.02 0.00 0.00 52.86 52.06 2pnc s ASN 536 Cb -0.26 -0.14 -0.08 0.00 0.02 0.00 0.00 41.25 40.79 2pnc s ASN 536 CO 0.32 -0.02 0.03 0.26 0.02 0.00 0.00 177.10 177.71 2pnc s TRP 537 N -1.73 2.51 -0.10 2.20 0.51 -0.01 -1.52 118.94 120.80 2pnc s TRP 537 Ca 0.11 -0.67 0.04 0.00 -2.12 0.00 0.00 56.10 53.46 2pnc s TRP 537 Cb -0.07 -1.80 0.00 0.00 -0.81 0.00 0.00 33.47 30.79 2pnc s TRP 537 CO 0.05 0.41 -0.22 0.08 -0.51 0.00 0.00 176.95 176.76 2pnc s VAL 538 N -2.70 1.94 -0.06 4.03 1.01 -1.26 -0.79 120.40 122.57 2pnc s VAL 538 Ca 0.35 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2pnc s VAL 538 Cb 0.09 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2pnc s VAL 538 CO 0.18 0.53 -0.17 0.26 0.00 0.00 0.00 175.10 175.90 2pnc s TRP 539 N 0.45 2.62 -0.31 5.22 0.52 -0.11 -1.03 118.94 126.30 2pnc s TRP 539 Ca -0.17 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 55.57 2pnc s TRP 539 Cb -0.17 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2pnc s TRP 539 CO 0.07 0.04 0.04 0.00 0.02 0.00 0.00 176.95 177.13 2pnc s ALA 540 N -0.50 2.92 -0.04 0.98 0.00 0.24 -1.86 121.76 123.51 2pnc s ALA 540 Ca 0.06 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.41 2pnc s ALA 540 Cb -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2pnc s ALA 540 CO 0.01 -1.19 -0.22 -1.21 0.00 0.00 0.00 175.76 173.15 2pnc s GLU 541 N 1.36 2.38 0.21 0.00 2.02 0.85 -1.15 118.70 124.37 2pnc s GLU 541 Ca -0.02 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 2pnc s GLU 541 Cb -0.19 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.87 2pnc s GLU 541 CO 0.01 0.52 0.35 -3.47 0.02 0.00 0.00 175.26 172.68 2pnc n ASP 542 N 2.58 -0.99 -4.73 -0.19 -0.08 -0.23 -0.75 116.55 112.16 2pnc n ASP 542 Ca -0.17 -1.98 -0.23 0.00 -1.51 0.00 0.00 54.79 50.91 2pnc n ASP 542 Cb 0.52 1.73 -0.06 0.00 2.34 0.00 0.00 41.12 45.65 2pnc n ASP 542 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pnc s MET 543 N -2.27 2.48 0.01 -0.67 0.23 -1.26 0.23 119.30 118.06 2pnc s MET 543 Ca 0.13 -1.39 -0.25 0.00 -1.03 0.00 0.00 55.69 53.15 2pnc s MET 543 Cb -0.02 -2.27 0.06 0.00 -1.53 0.00 0.00 34.83 31.07 2pnc s MET 543 CO 0.09 0.25 0.58 0.00 -2.03 0.00 0.00 175.02 173.91 2pnc s ALA 544 N -2.33 -1.49 -0.13 3.16 0.00 0.74 -4.79 121.76 116.92 2pnc s ALA 544 Ca 0.35 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 2pnc s ALA 544 Cb -0.05 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2pnc s ALA 544 CO 0.22 -0.46 -0.11 -0.06 0.00 0.00 0.00 175.76 175.36 2pnc s PHE 545 N -1.97 2.86 -0.17 0.00 0.40 -1.26 0.49 117.98 118.32 2pnc s PHE 545 Ca -0.08 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 2pnc s PHE 545 Cb -0.01 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.71 2pnc s PHE 545 CO 0.02 -0.12 -0.08 0.08 0.70 0.00 0.00 175.22 175.83 2pnc s VAL 546 N 0.22 1.34 -0.12 -0.44 1.01 -0.03 -4.84 120.40 117.55 2pnc s VAL 546 Ca -0.07 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2pnc s VAL 546 Cb -0.15 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 2pnc s VAL 546 CO 0.05 0.19 2.13 -0.81 0.00 0.00 0.00 175.10 176.65 2pnc n PRO 547 N 4.80 2.31 -4.24 2.72 -0.04 -1.26 -1.01 135.00 138.28 2pnc n PRO 547 Ca -0.13 0.73 -0.17 0.00 -0.04 0.00 0.00 63.50 63.89 2pnc n PRO 547 Cb 0.48 -3.15 -0.14 0.00 -0.04 0.00 0.00 33.50 30.65 2pnc n PRO 547 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2pnc s THR 548 N 6.84 0.61 0.44 0.52 2.01 -0.84 -4.94 115.64 120.28 2pnc s THR 548 Ca 0.96 -0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 2pnc s THR 548 Cb -0.38 -0.55 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 2pnc s THR 548 CO 0.38 0.06 1.31 0.00 -0.69 0.00 0.00 174.62 175.68 2pnc s ALA 549 N -0.43 3.16 -0.12 7.40 0.00 -1.26 -0.53 121.76 129.98 2pnc s ALA 549 Ca 0.01 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 2pnc s ALA 549 Cb -0.04 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2pnc s ALA 549 CO -0.00 -0.93 1.36 0.42 0.00 0.00 0.00 175.76 176.61 2pnc s ILE 550 N -1.30 4.07 0.40 0.00 1.09 -0.31 -4.82 121.20 120.33 2pnc s ILE 550 Ca 0.60 1.32 0.14 0.00 -1.10 0.00 0.00 60.65 61.61 2pnc s ILE 550 Cb -0.38 -3.85 0.36 0.00 -1.06 0.00 0.00 42.46 37.53 2pnc s ILE 550 CO 0.48 -0.10 1.86 -0.65 -0.10 0.00 0.00 174.94 176.43 2pnc h PRO 551 N 8.46 0.49 -0.33 2.79 0.11 -1.92 -0.34 132.00 141.25 2pnc h PRO 551 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2pnc h PRO 551 Cb 1.13 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pnc h PRO 551 CO 0.96 0.32 0.00 -2.67 -0.21 0.00 0.00 178.00 176.40 2pnc n TRP 552 N -4.54 0.42 -2.78 0.65 2.14 -1.26 -4.59 117.44 107.48 2pnc n TRP 552 Ca 0.18 -0.21 -0.06 0.00 2.07 0.00 0.00 57.50 59.49 2pnc n TRP 552 Cb 0.60 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 31.12 2pnc n TRP 552 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2pnc n SER 553 N 1.23 -3.25 -0.26 -0.67 2.88 -0.18 -5.05 113.62 108.32 2pnc n SER 553 Ca 0.18 -2.97 0.30 0.00 -1.33 0.00 0.00 58.87 55.05 2pnc n SER 553 Cb 0.55 1.69 0.70 0.00 -0.75 0.00 0.00 64.21 66.39 2pnc n SER 553 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2pnc h PRO 554 N 4.83 0.07 0.00 -1.46 0.11 -1.71 -0.94 132.00 132.91 2pnc h PRO 554 Ca 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2pnc h PRO 554 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pnc h PRO 554 CO 0.08 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 178.85 2pnc h GLU 555 N 0.07 0.00 -6.21 1.05 3.07 -1.97 -3.43 114.58 107.16 2pnc h GLU 555 Ca 0.51 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.83 2pnc h GLU 555 Cb 1.88 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.73 2pnc h GLU 555 CO -0.05 0.00 -0.57 -1.01 -1.40 0.00 0.00 179.01 175.98 2pnc s HIS 556 N -3.61 3.02 0.16 4.33 3.76 -0.36 -5.03 115.29 117.56 2pnc s HIS 556 Ca 0.02 -0.12 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 2pnc s HIS 556 Cb 0.09 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 2pnc s HIS 556 CO 0.53 0.54 -0.18 -0.65 -0.85 0.00 0.00 174.74 174.12 2pnc s GLN 557 N -3.61 1.26 -0.05 1.40 -0.21 -1.26 -1.16 119.66 116.02 2pnc s GLN 557 Ca 0.32 -1.39 -0.00 0.00 0.02 0.00 0.00 55.36 54.30 2pnc s GLN 557 Cb -0.08 -1.32 0.03 0.00 1.00 0.00 0.00 33.01 32.64 2pnc s GLN 557 CO 0.23 0.27 -0.01 -1.50 -2.12 0.00 0.00 175.29 172.17 2pnc s ILE 558 N -2.02 0.31 -0.62 1.08 2.07 0.31 -4.85 121.20 117.48 2pnc s ILE 558 Ca 0.15 0.08 -0.26 0.00 -1.41 0.00 0.00 60.65 59.21 2pnc s ILE 558 Cb -0.06 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2pnc s ILE 558 CO 0.06 0.21 2.04 -1.10 -1.91 0.00 0.00 174.94 174.23 2pnc s GLN 559 N 1.41 2.44 -0.55 3.50 -1.52 -1.26 -1.99 119.66 121.68 2pnc s GLN 559 Ca -0.04 0.72 -0.28 0.00 -1.95 0.00 0.00 55.36 53.81 2pnc s GLN 559 Cb -0.13 -4.52 0.03 0.00 -0.22 0.00 0.00 33.01 28.17 2pnc s GLN 559 CO -0.03 -3.02 1.15 0.50 -0.25 0.00 0.00 175.29 173.65 2pnc s ARG 560 N 7.44 3.55 0.18 2.91 6.06 -0.18 -4.71 118.95 134.20 2pnc s ARG 560 Ca 0.76 0.29 -0.30 0.00 -2.50 0.00 0.00 55.73 53.98 2pnc s ARG 560 Cb -0.13 -3.99 -0.09 0.00 0.06 0.00 0.00 34.95 30.80 2pnc s ARG 560 CO 0.19 -1.58 1.34 -1.17 -2.50 0.00 0.00 175.30 171.58 2pnc s LEU 561 N 4.73 4.40 0.22 -0.88 2.96 -1.26 -0.85 118.68 128.01 2pnc s LEU 561 Ca 0.43 2.39 -0.12 0.00 -0.22 0.00 0.00 54.13 56.61 2pnc s LEU 561 Cb -0.08 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2pnc s LEU 561 CO 0.27 -0.57 0.42 0.00 -1.32 0.00 0.00 176.35 175.15 2pnc s GLN 562 N 0.24 1.43 -0.07 1.98 -2.07 0.18 -4.96 119.66 116.39 2pnc s GLN 562 Ca 0.59 -1.21 -0.11 0.00 -1.82 0.00 0.00 55.36 52.81 2pnc s GLN 562 Cb -0.37 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 2pnc s GLN 562 CO 0.36 -0.58 0.27 0.08 -1.32 0.00 0.00 175.29 174.10 2pnc s VAL 563 N -4.00 5.29 -0.11 3.63 1.01 -1.26 -0.19 120.40 124.77 2pnc s VAL 563 Ca 0.21 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2pnc s VAL 563 Cb 0.01 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2pnc s VAL 563 CO 0.06 0.59 -0.09 0.42 0.00 0.00 0.00 175.10 176.08 2pnc s THR 564 N -0.94 3.46 0.02 3.92 -4.23 0.14 -4.91 115.64 113.08 2pnc s THR 564 Ca 0.19 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 2pnc s THR 564 Cb -0.14 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2pnc s THR 564 CO 0.08 0.54 -0.20 -0.13 -0.54 0.00 0.00 174.62 174.37 2pnc s ARG 565 N -0.05 1.43 -0.26 3.99 0.52 -1.26 -1.06 118.95 122.26 2pnc s ARG 565 Ca -0.01 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2pnc s ARG 565 Cb -0.14 -1.47 0.14 0.00 0.52 0.00 0.00 34.95 34.01 2pnc s ARG 565 CO 0.03 0.39 0.51 0.21 0.02 0.00 0.00 175.30 176.46 2pnc s LYS 566 N -0.86 0.46 -0.25 3.54 2.36 -0.30 -4.98 119.74 119.70 2pnc s LYS 566 Ca 0.07 0.96 -0.29 0.00 -2.55 0.00 0.00 55.97 54.16 2pnc s LYS 566 Cb -0.08 0.27 -0.00 0.00 -1.05 0.00 0.00 37.83 36.96 2pnc s LYS 566 CO 0.01 -0.48 1.30 -1.14 1.55 0.00 0.00 175.35 176.59 2pnc s GLN 567 N 2.73 4.01 0.40 4.03 0.74 -1.26 -0.59 119.66 129.71 2pnc s GLN 567 Ca 0.09 1.39 -0.25 0.00 0.05 0.00 0.00 55.36 56.65 2pnc s GLN 567 Cb -0.14 -3.85 -0.09 0.00 1.10 0.00 0.00 33.01 30.04 2pnc s GLN 567 CO -0.17 -1.00 1.14 -0.51 -0.55 0.00 0.00 175.29 174.19 2pnc s LEU 568 N 4.13 4.19 -0.10 3.68 1.02 -0.19 -4.98 118.68 126.43 2pnc s LEU 568 Ca 0.56 2.27 0.03 0.00 0.02 0.00 0.00 54.13 57.01 2pnc s LEU 568 Cb -0.19 -4.06 -0.08 0.00 0.02 0.00 0.00 46.19 41.89 2pnc s LEU 568 CO 0.21 -0.62 -0.06 -0.62 0.02 0.00 0.00 176.35 175.28 2pnc n GLU 569 N 0.06 0.96 -4.43 1.70 -0.58 -1.26 -4.49 120.64 112.61 2pnc n GLU 569 Ca 0.04 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.62 2pnc n GLU 569 Cb 0.47 -1.21 -0.10 0.00 -0.57 0.00 0.00 31.44 30.03 2pnc n GLU 569 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2pnc s THR 570 N -2.20 1.44 0.26 2.62 -4.23 -1.26 -0.58 115.64 111.68 2pnc s THR 570 Ca -0.11 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 2pnc s THR 570 Cb 0.03 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.58 2pnc s THR 570 CO 0.26 -0.21 1.90 -0.33 -0.54 0.00 0.00 174.62 175.71 2pnc h GLU 571 N 2.24 1.23 -0.06 3.99 5.08 -1.37 -2.19 114.58 123.50 2pnc h GLU 571 Ca -0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2pnc h GLU 571 Cb 1.23 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2pnc h GLU 571 CO 0.68 0.81 0.01 0.93 -1.00 0.00 0.00 179.01 180.45 2pnc h GLU 572 N 1.27 0.08 0.00 2.33 3.07 -1.89 -1.40 114.58 118.04 2pnc h GLU 572 Ca 0.41 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.21 2pnc h GLU 572 Cb 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2pnc h GLU 572 CO -0.13 0.08 -0.22 1.96 -1.40 0.00 0.00 179.01 179.30 2pnc h GLN 573 N 0.08 0.00 -0.54 2.33 4.20 -1.80 -3.19 115.11 116.19 2pnc h GLN 573 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2pnc h GLN 573 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2pnc h GLN 573 CO -0.00 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 2pnc n ALA 574 N -2.18 2.75 -3.50 3.87 0.00 -0.55 -4.76 120.51 116.15 2pnc n ALA 574 Ca 0.01 -1.54 -0.42 0.00 0.00 0.00 0.00 53.44 51.49 2pnc n ALA 574 Cb 0.51 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2pnc n ALA 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnc s ALA 575 N -1.64 4.01 -0.24 0.00 0.00 -1.07 -2.35 121.76 120.46 2pnc s ALA 575 Ca 0.43 -3.43 -0.21 0.00 0.00 0.00 0.00 51.96 48.75 2pnc s ALA 575 Cb 0.27 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2pnc s ALA 575 CO 0.22 -2.20 0.65 -0.06 0.00 0.00 0.00 175.76 174.37 2pnc s PHE 576 N -0.26 3.30 0.34 0.00 0.08 -0.29 -5.00 117.98 116.15 2pnc s PHE 576 Ca 0.20 0.87 -0.29 0.00 0.12 0.00 0.00 56.93 57.84 2pnc s PHE 576 Cb -0.13 -2.86 -0.12 0.00 -0.57 0.00 0.00 43.02 39.34 2pnc s PHE 576 CO -0.07 -0.31 1.39 -2.30 -0.10 0.00 0.00 175.22 173.83 2pnc n PRO 577 N 5.63 2.34 -1.89 0.24 -0.02 -1.26 -1.92 135.00 138.13 2pnc n PRO 577 Ca 0.00 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 2pnc n PRO 577 Cb 0.49 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 2pnc n PRO 577 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pnc s LEU 578 N -1.14 4.37 0.00 2.45 2.96 0.38 -2.71 118.68 124.99 2pnc s LEU 578 Ca 0.57 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 57.08 2pnc s LEU 578 Cb -0.54 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.57 2pnc s LEU 578 CO 0.60 -0.88 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 2pnc n GLY 579 N 3.93 2.84 3.83 7.98 0.00 -1.26 -4.80 105.19 117.71 2pnc n GLY 579 Ca 0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2pnc n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pnc s GLY 580 N -2.47 1.59 0.05 -0.02 0.00 -1.10 -5.05 107.32 100.32 2pnc s GLY 580 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 2pnc s GLY 580 CO 0.00 -0.06 0.56 0.00 0.00 0.00 0.00 173.10 173.60 2pnc s ALA 581 N -3.41 3.58 0.28 3.20 0.00 -1.26 -4.94 121.76 119.21 2pnc s ALA 581 Ca 0.64 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2pnc s ALA 581 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2pnc s ALA 581 CO 0.52 0.37 0.09 -1.54 0.00 0.00 0.00 175.76 175.19 2pnc s SER 582 N -0.94 1.50 0.13 0.00 1.04 -1.26 -4.99 113.70 109.18 2pnc s SER 582 Ca 0.29 -1.38 -0.35 0.00 0.48 0.00 0.00 55.95 54.99 2pnc s SER 582 Cb -0.19 0.10 -0.15 0.00 0.10 0.00 0.00 66.02 65.87 2pnc s SER 582 CO 0.18 -0.70 1.39 -2.65 0.98 0.00 0.00 173.24 172.44 2pnc n PRO 583 N -0.52 1.51 0.22 4.02 -0.02 -1.26 -4.86 135.00 134.10 2pnc n PRO 583 Ca -0.01 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 2pnc n PRO 583 Cb 0.66 -2.21 0.52 0.00 -0.02 0.00 0.00 33.50 32.46 2pnc n PRO 583 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pnc h ARG 584 N 4.75 0.00 -2.56 -0.52 3.08 -1.98 -3.33 114.38 113.82 2pnc h ARG 584 Ca -0.46 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 58.99 2pnc h ARG 584 Cb 1.31 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.95 2pnc h ARG 584 CO 0.80 0.25 -0.69 0.66 -1.07 0.00 0.00 179.97 179.92 2pnc n TYR 585 N -3.78 2.48 -3.71 3.04 4.01 0.07 -4.97 117.16 114.29 2pnc n TYR 585 Ca -0.01 -4.05 -0.36 0.00 -0.16 0.00 0.00 57.90 53.32 2pnc n TYR 585 Cb 0.35 -0.46 -0.09 0.00 -0.31 0.00 0.00 39.34 38.83 2pnc n TYR 585 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2pnc s LEU 586 N -1.60 4.12 -0.03 7.72 0.20 -1.25 -0.10 118.68 127.73 2pnc s LEU 586 Ca 0.32 0.15 -0.10 0.00 0.69 0.00 0.00 54.13 55.20 2pnc s LEU 586 Cb 0.06 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 2pnc s LEU 586 CO -0.11 0.11 0.22 -0.72 -0.29 0.00 0.00 176.35 175.56 2pnc s TYR 587 N 0.77 -0.12 -0.10 5.38 1.13 -0.78 -1.27 117.35 122.37 2pnc s TYR 587 Ca 0.07 0.24 -0.23 0.00 -1.41 0.00 0.00 57.07 55.74 2pnc s TYR 587 Cb -0.13 0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.74 2pnc s TYR 587 CO 0.02 -0.26 0.71 -0.51 -2.51 0.00 0.00 175.55 173.00 2pnc s LEU 588 N -0.86 4.27 0.11 -3.49 1.02 -0.82 -0.94 118.68 117.98 2pnc s LEU 588 Ca -0.09 1.14 0.11 0.00 0.02 0.00 0.00 54.13 55.30 2pnc s LEU 588 Cb -0.05 -3.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 2pnc s LEU 588 CO 0.02 -0.18 -0.26 0.00 0.02 0.00 0.00 176.35 175.94 2pnc s ALA 589 N 1.15 2.37 1.00 4.21 0.00 0.03 -1.54 121.76 128.97 2pnc s ALA 589 Ca 0.37 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2pnc s ALA 589 Cb -0.17 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.56 2pnc s ALA 589 CO 0.16 0.54 0.16 -1.13 0.00 0.00 0.00 175.76 175.49 2pnc n SER 590 N 1.09 0.01 0.10 0.00 3.41 0.10 -0.83 113.62 117.51 2pnc n SER 590 Ca -0.18 -1.06 -0.20 0.00 -0.26 0.00 0.00 58.87 57.17 2pnc n SER 590 Cb 0.53 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 2pnc n SER 590 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2pnc h LYS 591 N 0.00 0.37 -6.88 4.33 -0.00 -1.85 -3.43 116.57 109.11 2pnc h LYS 591 Ca -0.05 -0.63 -0.51 0.00 -0.00 0.00 0.00 60.65 59.45 2pnc h LYS 591 Cb 0.14 0.24 0.05 0.00 -0.00 0.00 0.00 32.23 32.66 2pnc h LYS 591 CO 0.04 1.27 0.56 -0.65 -0.00 0.00 0.00 179.45 180.67 2pnc s GLN 592 N -2.61 4.34 0.47 0.07 -0.21 -1.26 -4.93 119.66 115.53 2pnc s GLN 592 Ca -0.10 2.01 0.00 0.00 0.02 0.00 0.00 55.36 57.30 2pnc s GLN 592 Cb 0.06 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 31.08 2pnc s GLN 592 CO 0.88 -0.13 0.70 -1.12 -2.12 0.00 0.00 175.29 173.50 2pnc s SER 593 N -0.76 5.73 1.05 5.90 0.01 -1.26 -2.00 113.70 122.36 2pnc s SER 593 Ca 0.50 0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 2pnc s SER 593 Cb -0.35 -1.42 0.23 0.00 0.21 0.00 0.00 66.02 64.68 2pnc s SER 593 CO 0.46 -0.79 1.20 -0.46 0.41 0.00 0.00 173.24 174.06 2pnc n ASN 594 N -2.14 -0.34 0.01 2.44 6.94 0.88 -4.74 115.26 118.31 2pnc n ASN 594 Ca 0.03 -1.38 0.23 0.00 -0.02 0.00 0.00 54.58 53.43 2pnc n ASN 594 Cb 0.58 -0.95 0.68 0.00 -2.36 0.00 0.00 39.78 37.73 2pnc n ASN 594 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2pnc h LYS 595 N 0.00 0.00 -0.27 -3.83 3.64 -1.90 0.14 116.57 114.36 2pnc h LYS 595 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2pnc h LYS 595 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2pnc h LYS 595 CO 0.28 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.37 2pnc n TRP 596 N -3.61 0.33 -0.62 1.91 7.02 -1.26 -4.96 117.44 116.25 2pnc n TRP 596 Ca 0.12 -0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2pnc n TRP 596 Cb 0.85 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.74 2pnc n TRP 596 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pnc n GLY 597 N 1.36 0.67 3.78 6.99 0.00 0.50 -5.06 105.19 113.44 2pnc n GLY 597 Ca 0.17 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2pnc n GLY 597 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pnc s HIS 598 N -2.00 3.50 -0.29 1.61 3.76 -1.26 -4.73 115.29 115.88 2pnc s HIS 598 Ca 0.00 0.49 -0.38 0.00 -0.15 0.00 0.00 55.06 55.02 2pnc s HIS 598 Cb 0.00 -2.15 -0.14 0.00 1.11 0.00 0.00 32.58 31.40 2pnc s HIS 598 CO 0.00 0.43 1.94 -2.30 -0.85 0.00 0.00 174.74 173.95 2pnc n PRO 599 N 2.99 1.22 -1.77 8.40 -0.02 -1.26 -0.08 135.00 144.47 2pnc n PRO 599 Ca -0.16 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 2pnc n PRO 599 Cb 0.53 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 2pnc n PRO 599 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pnc s ARG 600 N 4.67 4.05 0.09 -0.52 0.52 -0.85 -4.72 118.95 122.19 2pnc s ARG 600 Ca 1.03 2.41 -0.13 0.00 -0.52 0.00 0.00 55.73 58.51 2pnc s ARG 600 Cb -0.97 -4.13 0.02 0.00 0.52 0.00 0.00 34.95 30.39 2pnc s ARG 600 CO 0.58 -1.05 0.30 0.20 0.02 0.00 0.00 175.30 175.36 2pnc s GLY 601 N 4.48 -0.10 -0.17 -3.53 0.00 -1.14 0.03 107.32 106.90 2pnc s GLY 601 Ca 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.31 2pnc s GLY 601 CO 0.37 -0.45 -0.07 -0.19 0.00 0.00 0.00 173.10 172.76 2pnc s TYR 602 N -3.46 2.93 0.05 1.90 1.51 -0.59 -0.46 117.35 119.22 2pnc s TYR 602 Ca 0.01 -0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 55.38 2pnc s TYR 602 Cb 0.02 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2pnc s TYR 602 CO -0.09 -0.26 0.31 -0.98 -1.11 0.00 0.00 175.55 173.42 2pnc s ARG 603 N 0.71 3.62 -0.37 -0.62 1.70 0.15 -1.94 118.95 122.20 2pnc s ARG 603 Ca -0.04 -0.04 -0.11 0.00 -0.47 0.00 0.00 55.73 55.07 2pnc s ARG 603 Cb -0.15 -3.02 0.02 0.00 -0.57 0.00 0.00 34.95 31.24 2pnc s ARG 603 CO 0.02 0.59 0.20 0.42 -1.08 0.00 0.00 175.30 175.45 2pnc s ILE 604 N -1.40 4.54 -0.39 4.99 1.01 -0.39 -1.56 121.20 128.00 2pnc s ILE 604 Ca 0.32 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 2pnc s ILE 604 Cb -0.13 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.90 2pnc s ILE 604 CO 0.19 -0.20 0.18 -1.58 0.00 0.00 0.00 174.94 173.53 2pnc s GLN 605 N 1.55 2.38 -0.33 2.79 0.74 -0.30 -4.60 119.66 121.89 2pnc s GLN 605 Ca 0.02 -1.52 -0.25 0.00 0.05 0.00 0.00 55.36 53.67 2pnc s GLN 605 Cb -0.19 -3.58 0.01 0.00 1.10 0.00 0.00 33.01 30.35 2pnc s GLN 605 CO 0.06 -0.91 0.87 0.95 -0.55 0.00 0.00 175.29 175.72 2pnc s THR 606 N 1.30 4.69 -0.40 -0.34 -4.23 -1.26 -0.09 115.64 115.31 2pnc s THR 606 Ca 0.03 1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 61.68 2pnc s THR 606 Cb -0.22 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.43 2pnc s THR 606 CO -0.00 -0.38 0.24 -0.69 -0.54 0.00 0.00 174.62 173.25 2pnc s VAL 607 N 3.21 4.46 -0.01 2.29 1.01 -0.29 -4.97 120.40 126.11 2pnc s VAL 607 Ca 0.36 -1.11 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 2pnc s VAL 607 Cb -0.13 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.73 2pnc s VAL 607 CO 0.15 -0.38 0.76 -0.94 0.00 0.00 0.00 175.10 174.69 2pnc s SER 608 N 1.87 -0.53 -1.11 3.32 1.04 -1.26 -0.97 113.70 116.07 2pnc s SER 608 Ca 0.02 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 2pnc s SER 608 Cb -0.21 0.48 0.29 0.00 0.10 0.00 0.00 66.02 66.68 2pnc s SER 608 CO 0.05 -0.65 1.61 0.49 0.98 0.00 0.00 173.24 175.72 2pnc n PHE 609 N 0.33 2.39 -1.60 5.02 3.01 -1.12 -4.97 117.46 120.52 2pnc n PHE 609 Ca -0.15 -2.60 -0.45 0.00 1.01 0.00 0.00 57.45 55.26 2pnc n PHE 609 Cb 0.60 -1.35 -0.02 0.00 -0.01 0.00 0.00 39.48 38.70 2pnc n PHE 609 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pnc n ALA 610 N 1.47 -0.14 -0.15 4.37 0.00 -1.09 -3.35 120.51 121.63 2pnc n ALA 610 Ca 0.32 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 2pnc n ALA 610 Cb 0.32 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 17.74 2pnc n ALA 610 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pnc h GLY 611 N 2.49 0.22 0.00 0.00 0.00 -1.79 -3.42 103.07 100.57 2pnc h GLY 611 Ca -0.41 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2pnc h GLY 611 CO 0.64 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.59 2pnc n GLY 612 N -1.38 2.75 3.77 4.60 0.00 -1.26 -4.41 105.19 109.26 2pnc n GLY 612 Ca 0.04 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2pnc n GLY 612 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnc s PRO 613 N -3.37 4.24 0.16 1.61 0.04 -1.26 -4.96 135.00 131.46 2pnc s PRO 613 Ca 0.00 2.38 -0.32 0.00 0.04 0.00 0.00 61.00 63.11 2pnc s PRO 613 Cb 0.00 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 2pnc s PRO 613 CO 0.00 -0.38 1.65 1.41 0.04 0.00 0.00 177.00 179.72 2pnc s MET 614 N -1.56 4.18 0.23 4.56 -2.45 -1.26 -4.93 119.30 118.07 2pnc s MET 614 Ca 0.53 2.46 -0.31 0.00 -1.25 0.00 0.00 55.69 57.12 2pnc s MET 614 Cb -0.43 -3.22 -0.14 0.00 1.25 0.00 0.00 34.83 32.28 2pnc s MET 614 CO 0.55 -0.69 1.18 -2.30 1.05 0.00 0.00 175.02 174.81 2pnc n PRO 615 N 4.33 1.47 0.00 4.11 -0.02 -1.26 -4.83 135.00 138.80 2pnc n PRO 615 Ca 0.15 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2pnc n PRO 615 Cb 0.38 -2.02 0.44 0.00 -0.02 0.00 0.00 33.50 32.27 2pnc n PRO 615 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2pnc n GLN 616 N 1.47 0.19 0.22 -0.52 6.02 -1.26 -1.74 117.38 121.75 2pnc n GLN 616 Ca 0.12 0.14 0.09 0.00 -0.01 0.00 0.00 57.00 57.33 2pnc n GLN 616 Cb 0.29 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.51 2pnc n GLN 616 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2pnc h ASN 617 N 0.00 0.00 -2.52 1.08 2.35 -2.03 -3.43 115.58 111.03 2pnc h ASN 617 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2pnc h ASN 617 Cb 0.21 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.62 2pnc h ASN 617 CO 0.00 0.26 1.13 -0.55 -1.65 0.00 0.00 177.43 176.61 2pnc s SER 618 N -6.29 6.42 0.00 5.81 0.15 -0.71 -4.86 113.70 114.22 2pnc s SER 618 Ca -0.00 2.77 0.10 0.00 0.70 0.00 0.00 55.95 59.52 2pnc s SER 618 Cb 0.11 -2.56 0.62 0.00 -1.71 0.00 0.00 66.02 62.48 2pnc s SER 618 CO 0.65 -1.01 1.09 -0.81 1.20 0.00 0.00 173.24 174.35 2pnc n PRO 619 N 5.80 0.56 0.00 5.44 -0.04 -1.26 -3.16 135.00 142.34 2pnc n PRO 619 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2pnc n PRO 619 Cb 0.38 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2pnc n PRO 619 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pnc n MET 620 N -0.79 2.36 0.00 0.54 0.00 -1.26 -4.48 117.12 113.49 2pnc n MET 620 Ca 0.08 -0.15 0.11 0.00 0.00 0.00 0.00 57.70 57.73 2pnc n MET 620 Cb 0.04 -0.57 0.49 0.00 0.00 0.00 0.00 33.22 33.17 2pnc n MET 620 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2pnc n GLU 621 N -0.38 0.08 0.13 3.17 -0.00 -1.19 -2.77 120.64 119.68 2pnc n GLU 621 Ca 0.00 0.11 0.05 0.00 -0.00 0.00 0.00 57.16 57.32 2pnc n GLU 621 Cb 0.03 -1.50 0.49 0.00 -0.00 0.00 0.00 31.44 30.46 2pnc n GLU 621 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2pnc h ARG 622 N 0.00 0.26 -0.13 3.44 2.43 -1.82 -1.17 114.38 117.38 2pnc h ARG 622 Ca 0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2pnc h ARG 622 Cb 0.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2pnc h ARG 622 CO 0.00 0.24 -0.31 0.00 -1.51 0.00 0.00 179.97 178.39 2pnc h ALA 623 N 1.80 1.23 -1.28 2.80 0.00 -1.65 -3.05 119.26 119.12 2pnc h ALA 623 Ca 0.06 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 2pnc h ALA 623 Cb 0.10 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.39 2pnc h ALA 623 CO -0.00 0.52 -0.66 1.97 0.00 0.00 0.00 179.25 181.08 2pnc n PHE 624 N -4.11 3.21 0.65 0.00 -1.74 -0.73 -4.73 117.46 110.01 2pnc n PHE 624 Ca -0.01 -2.84 0.07 0.00 -0.56 0.00 0.00 57.45 54.11 2pnc n PHE 624 Cb 0.41 -0.22 0.36 0.00 1.52 0.00 0.00 39.48 41.55 2pnc n PHE 624 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2pnc n SER 625 N -0.55 0.00 0.27 5.98 3.41 -0.52 -1.84 113.62 120.37 2pnc n SER 625 Ca 0.41 0.16 0.16 0.00 -0.26 0.00 0.00 58.87 59.34 2pnc n SER 625 Cb 0.73 -0.33 0.74 0.00 -0.26 0.00 0.00 64.21 65.10 2pnc n SER 625 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pnc h TRP 626 N 0.00 0.00 0.00 7.33 5.08 -1.87 -2.77 115.95 123.72 2pnc h TRP 626 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2pnc h TRP 626 Cb 0.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.32 2pnc h TRP 626 CO 0.00 0.07 0.00 0.41 -1.28 0.00 0.00 178.44 177.64 2pnc n GLY 627 N -0.31 -0.72 0.18 11.11 0.00 -0.77 -3.08 105.19 111.60 2pnc n GLY 627 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2pnc n GLY 627 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pnc h ARG 628 N 0.00 0.44 -6.32 1.61 3.08 -1.72 -3.44 114.38 108.03 2pnc h ARG 628 Ca 0.00 -0.35 -0.69 0.00 0.07 0.00 0.00 59.98 59.01 2pnc h ARG 628 Cb 0.00 0.07 -0.27 0.00 0.08 0.00 0.00 29.97 29.86 2pnc h ARG 628 CO 0.00 0.99 -0.82 0.71 -1.07 0.00 0.00 179.97 179.77 2pnc s TYR 629 N -3.65 2.56 -0.10 3.04 1.51 -1.18 0.14 117.35 119.68 2pnc s TYR 629 Ca -0.06 -0.34 0.23 0.00 -1.01 0.00 0.00 57.07 55.88 2pnc s TYR 629 Cb 0.10 -1.60 0.61 0.00 -0.11 0.00 0.00 41.96 40.97 2pnc s TYR 629 CO 0.84 0.04 1.69 0.37 -1.11 0.00 0.00 175.55 177.39 2pnc h GLN 630 N 5.56 0.00 -2.39 -0.62 5.75 -1.58 -3.33 115.11 118.50 2pnc h GLN 630 Ca -0.42 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.00 2pnc h GLN 630 Cb 1.15 0.00 -0.23 0.00 1.07 0.00 0.00 27.48 29.47 2pnc h GLN 630 CO 0.49 0.20 -0.10 -1.17 -2.65 0.00 0.00 178.83 175.60 2pnc s LEU 631 N -6.45 -0.24 -0.01 -2.39 2.96 -1.23 -1.64 118.68 109.67 2pnc s LEU 631 Ca 0.03 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 55.05 2pnc s LEU 631 Cb 0.08 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.63 2pnc s LEU 631 CO 0.66 -0.20 0.05 0.00 -1.32 0.00 0.00 176.35 175.54 2pnc s ALA 632 N 0.75 -0.12 -0.14 5.97 0.00 0.79 -1.13 121.76 127.88 2pnc s ALA 632 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.96 2pnc s ALA 632 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2pnc s ALA 632 CO -0.06 -0.06 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 2pnc s ILE 633 N -0.33 1.76 0.18 0.00 -1.09 -0.99 0.66 121.20 121.39 2pnc s ILE 633 Ca -0.04 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 2pnc s ILE 633 Cb -0.03 -1.60 -0.05 0.00 -1.58 0.00 0.00 42.46 39.21 2pnc s ILE 633 CO 0.00 0.49 -0.08 0.42 -1.23 0.00 0.00 174.94 174.54 2pnc s THR 634 N 1.09 1.19 0.32 2.92 -4.23 -0.17 -4.66 115.64 112.10 2pnc s THR 634 Ca -0.03 -2.07 -0.29 0.00 -1.18 0.00 0.00 61.69 58.13 2pnc s THR 634 Cb -0.14 -2.01 -0.10 0.00 1.34 0.00 0.00 72.50 71.58 2pnc s THR 634 CO -0.05 -0.61 1.40 -1.10 -0.54 0.00 0.00 174.62 173.72 2pnc s GLN 635 N -3.77 4.27 0.19 3.99 -0.21 -1.26 0.66 119.66 123.52 2pnc s GLN 635 Ca 0.21 2.34 -0.30 0.00 0.02 0.00 0.00 55.36 57.62 2pnc s GLN 635 Cb 0.03 -3.06 -0.08 0.00 1.00 0.00 0.00 33.01 30.90 2pnc s GLN 635 CO 0.04 -0.35 1.27 0.50 -2.12 0.00 0.00 175.29 174.63 2pnc s ARG 636 N -1.40 4.42 -0.02 2.91 3.52 0.35 -4.72 118.95 124.01 2pnc s ARG 636 Ca 0.53 1.99 0.01 0.00 -0.13 0.00 0.00 55.73 58.13 2pnc s ARG 636 Cb -0.42 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 2pnc s ARG 636 CO 0.52 -0.21 -0.03 0.15 -0.81 0.00 0.00 175.30 174.93 2pnc s LYS 637 N -0.09 0.40 0.62 5.12 1.02 -1.26 -4.93 119.74 120.62 2pnc s LYS 637 Ca 0.56 -0.05 0.38 0.00 0.02 0.00 0.00 55.97 56.87 2pnc s LYS 637 Cb -0.35 -0.47 2.08 0.00 -0.52 0.00 0.00 37.83 38.57 2pnc s LYS 637 CO 0.37 -0.02 2.28 0.93 -0.92 0.00 0.00 175.35 177.99 2pnc h GLU 638 N 6.69 0.00 -0.01 1.68 4.39 -2.01 0.23 114.58 125.56 2pnc h GLU 638 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2pnc h GLU 638 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2pnc h GLU 638 CO 0.49 0.01 -0.14 2.41 -1.16 0.00 0.00 179.01 180.62 2pnc n THR 639 N -3.36 0.00 -3.20 1.13 -1.04 -1.26 -4.11 114.28 102.44 2pnc n THR 639 Ca -0.03 -0.09 -0.25 0.00 -2.04 0.00 0.00 64.05 61.64 2pnc n THR 639 Cb 0.11 0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 2pnc n THR 639 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2pnc n GLU 640 N -0.79 2.24 0.12 -2.82 1.02 0.07 -4.92 120.64 115.56 2pnc n GLU 640 Ca 0.14 -4.32 -0.02 0.00 -0.02 0.00 0.00 57.16 52.94 2pnc n GLU 640 Cb 0.30 -2.00 0.16 0.00 -0.02 0.00 0.00 31.44 29.87 2pnc n GLU 640 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pnc h PRO 641 N 3.61 0.08 -4.06 3.49 0.13 -1.71 -3.42 132.00 130.11 2pnc h PRO 641 Ca 0.14 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 2pnc h PRO 641 Cb 0.69 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.67 2pnc h PRO 641 CO 0.72 0.66 -0.60 0.45 -0.23 0.00 0.00 178.00 179.00 2pnc s SER 642 N -6.87 0.35 0.00 1.44 0.15 -1.26 -5.05 113.70 102.46 2pnc s SER 642 Ca -0.02 -0.81 0.25 0.00 0.70 0.00 0.00 55.95 56.07 2pnc s SER 642 Cb 0.12 0.22 0.39 0.00 -1.71 0.00 0.00 66.02 65.04 2pnc s SER 642 CO 0.77 -0.57 1.35 -1.54 1.20 0.00 0.00 173.24 174.45 2pnc n SER 643 N 0.36 1.88 -2.92 5.45 3.41 -1.26 -4.95 113.62 115.59 2pnc n SER 643 Ca -0.16 -1.44 -0.16 0.00 -0.26 0.00 0.00 58.87 56.85 2pnc n SER 643 Cb 0.60 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 2pnc n SER 643 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2pnc n SER 644 N 0.11 -0.87 -3.77 4.04 2.88 -1.26 -4.05 113.62 110.70 2pnc n SER 644 Ca 0.12 -2.86 -0.12 0.00 -1.33 0.00 0.00 58.87 54.68 2pnc n SER 644 Cb 0.45 1.81 -0.08 0.00 -0.75 0.00 0.00 64.21 65.64 2pnc n SER 644 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pnc s SER 645 N -3.03 -0.12 0.57 -3.46 0.15 -1.26 -4.88 113.70 101.67 2pnc s SER 645 Ca 0.32 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 57.09 2pnc s SER 645 Cb 0.01 0.33 1.71 0.00 -1.71 0.00 0.00 66.02 66.36 2pnc s SER 645 CO 0.23 -0.56 2.23 0.58 1.20 0.00 0.00 173.24 176.92 2pnc h VAL 646 N 3.42 0.62 -0.01 4.45 2.07 -1.94 -2.54 116.25 122.32 2pnc h VAL 646 Ca -0.31 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pnc h VAL 646 Cb 1.19 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2pnc h VAL 646 CO 0.45 0.00 -0.17 0.49 0.02 0.00 0.00 177.57 178.36 2pnc n PHE 647 N -3.98 0.00 -0.08 1.57 3.72 -1.26 -4.11 117.46 113.32 2pnc n PHE 647 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 2pnc n PHE 647 Cb 0.09 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 2pnc n PHE 647 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2pnc h ASN 648 N 1.75 0.65 -0.43 4.37 4.21 -1.75 -3.33 115.58 121.05 2pnc h ASN 648 Ca 0.00 -0.47 0.08 0.00 1.21 0.00 0.00 56.30 57.12 2pnc h ASN 648 Cb 0.53 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.47 2pnc h ASN 648 CO 0.00 0.99 -0.04 -0.61 -1.29 0.00 0.00 177.43 176.48 2pnc h GLN 649 N 0.33 0.07 -0.12 0.81 5.75 -1.76 -0.38 115.11 119.81 2pnc h GLN 649 Ca 0.04 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2pnc h GLN 649 Cb 0.80 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2pnc h GLN 649 CO 0.06 0.04 0.00 0.09 -2.65 0.00 0.00 178.83 176.37 2pnc n ASN 650 N -5.25 1.38 -2.82 -0.69 3.02 -1.26 -4.18 115.26 105.46 2pnc n ASN 650 Ca 0.03 -1.62 -0.11 0.00 -0.03 0.00 0.00 54.58 52.86 2pnc n ASN 650 Cb 0.23 -0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2pnc n ASN 650 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pnc n ASP 651 N 0.12 -2.08 0.17 6.41 2.03 -0.67 -4.72 116.55 117.81 2pnc n ASP 651 Ca 0.17 -3.38 0.14 0.00 0.52 0.00 0.00 54.79 52.23 2pnc n ASP 651 Cb 0.29 1.43 0.51 0.00 -0.72 0.00 0.00 41.12 42.64 2pnc n ASP 651 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2pnc h PRO 652 N 3.52 0.00 -0.03 -0.67 0.13 -1.27 -3.14 132.00 130.54 2pnc h PRO 652 Ca -0.09 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.89 2pnc h PRO 652 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2pnc h PRO 652 CO 0.28 0.00 -0.67 -1.49 -0.23 0.00 0.00 178.00 175.89 2pnc h TRP 653 N 0.00 0.20 -2.93 1.56 6.55 -1.84 -3.31 115.95 116.18 2pnc h TRP 653 Ca 0.00 -0.08 -0.61 0.00 0.95 0.00 0.00 58.89 59.14 2pnc h TRP 653 Cb 0.51 -0.03 -0.41 0.00 -0.86 0.00 0.00 29.16 28.37 2pnc h TRP 653 CO 0.00 0.77 -0.67 0.99 -1.05 0.00 0.00 178.44 178.48 2pnc s THR 654 N -3.58 2.24 0.31 1.49 2.01 -1.19 -4.92 115.64 112.01 2pnc s THR 654 Ca -0.03 -3.80 -0.29 0.00 0.31 0.00 0.00 61.69 57.88 2pnc s THR 654 Cb 0.12 -2.48 -0.11 0.00 0.01 0.00 0.00 72.50 70.04 2pnc s THR 654 CO 0.79 -1.04 1.48 -2.16 -0.69 0.00 0.00 174.62 173.00 2pnc s PRO 655 N -0.98 4.19 0.22 4.92 0.04 -1.24 -4.92 135.00 137.23 2pnc s PRO 655 Ca 0.26 2.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 2pnc s PRO 655 Cb -0.04 -3.04 0.21 0.00 0.04 0.00 0.00 34.50 31.67 2pnc s PRO 655 CO -0.16 -0.48 1.56 1.15 0.04 0.00 0.00 177.00 179.11 2pnc h THR 656 N 3.25 1.32 -3.22 1.26 2.02 -1.84 -3.41 112.91 112.30 2pnc h THR 656 Ca -0.48 -1.72 -0.50 0.00 0.77 0.00 0.00 66.41 64.48 2pnc h THR 656 Cb 1.23 1.72 -0.37 0.00 -1.74 0.00 0.00 68.15 68.98 2pnc h THR 656 CO 0.72 0.53 -0.79 -0.69 0.37 0.00 0.00 175.52 175.66 2pnc s VAL 657 N -4.06 0.80 -0.40 3.16 1.01 -1.26 -4.99 120.40 114.65 2pnc s VAL 657 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2pnc s VAL 657 Cb 0.12 -0.88 0.11 0.00 0.00 0.00 0.00 36.38 35.72 2pnc s VAL 657 CO 0.82 0.30 0.19 -0.62 0.00 0.00 0.00 175.10 175.79 2pnc s ASP 658 N 1.80 5.21 0.24 3.32 -1.08 -1.26 -4.67 116.67 120.23 2pnc s ASP 658 Ca 0.05 -2.01 -0.06 0.00 -0.52 0.00 0.00 52.55 50.00 2pnc s ASP 658 Cb -0.13 -1.81 0.42 0.00 -1.46 0.00 0.00 42.92 39.95 2pnc s ASP 658 CO -0.07 -0.52 1.68 0.15 0.52 0.00 0.00 175.17 176.92 2pnc h PHE 659 N 8.02 0.20 0.00 -5.34 3.57 -1.76 -1.40 116.94 120.22 2pnc h PHE 659 Ca -0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2pnc h PHE 659 Cb 1.05 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2pnc h PHE 659 CO 0.55 -0.11 0.12 0.66 -2.23 0.00 0.00 178.31 177.31 2pnc h SER 660 N 0.23 0.00 0.59 0.41 4.64 -1.89 0.72 113.55 118.26 2pnc h SER 660 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2pnc h SER 660 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2pnc h SER 660 CO -0.52 0.00 -0.09 0.44 -0.87 0.00 0.00 176.83 175.79 2pnc h ASP 661 N 0.00 0.00 -0.24 4.97 3.45 -1.67 -2.35 116.42 120.58 2pnc h ASP 661 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 2pnc h ASP 661 Cb 0.25 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 2pnc h ASP 661 CO 0.00 0.09 -0.06 -0.26 -1.57 0.00 0.00 179.24 177.44 2pnc h PHE 662 N 0.00 0.63 -2.82 4.55 0.04 -1.04 -3.39 116.94 114.92 2pnc h PHE 662 Ca -0.00 -0.09 -0.56 0.00 2.80 0.00 0.00 57.97 60.12 2pnc h PHE 662 Cb 0.41 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 38.30 2pnc h PHE 662 CO 0.00 0.65 0.94 0.42 -0.60 0.00 0.00 178.31 179.72 2pnc s ILE 663 N -4.87 3.95 -0.28 -0.55 1.01 -0.88 -4.84 121.20 114.74 2pnc s ILE 663 Ca -0.08 0.55 0.21 0.00 0.00 0.00 0.00 60.65 61.33 2pnc s ILE 663 Cb 0.15 -4.78 0.49 0.00 0.01 0.00 0.00 42.46 38.33 2pnc s ILE 663 CO 0.78 -1.54 1.07 -0.46 0.00 0.00 0.00 174.94 174.80 2pnc n ASN 664 N 8.68 1.45 -3.99 3.58 6.94 -1.26 -4.99 115.26 125.66 2pnc n ASN 664 Ca 0.05 -2.23 -0.30 0.00 -0.02 0.00 0.00 54.58 52.08 2pnc n ASN 664 Cb 0.49 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 2pnc n ASN 664 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2pnc n ASN 665 N -0.46 -3.15 -4.92 0.53 4.05 -1.26 -4.99 115.26 105.06 2pnc n ASN 665 Ca 0.07 -0.89 -0.26 0.00 0.45 0.00 0.00 54.58 53.94 2pnc n ASN 665 Cb 0.81 -3.42 -0.01 0.00 1.23 0.00 0.00 39.78 38.39 2pnc n ASN 665 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2pnc s GLU 666 N -6.63 3.53 0.31 1.20 2.02 -1.26 -4.82 118.70 113.05 2pnc s GLU 666 Ca 0.50 0.01 -0.28 0.00 0.02 0.00 0.00 54.97 55.21 2pnc s GLU 666 Cb -0.26 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 2pnc s GLU 666 CO 0.87 -0.06 1.06 -0.08 0.02 0.00 0.00 175.26 177.08 2pnc s THR 667 N -2.55 3.63 -0.20 3.63 -1.32 -1.26 -1.08 115.64 116.49 2pnc s THR 667 Ca 0.45 1.52 0.12 0.00 -1.21 0.00 0.00 61.69 62.57 2pnc s THR 667 Cb -0.10 -3.92 0.40 0.00 -1.51 0.00 0.00 72.50 67.37 2pnc s THR 667 CO 0.41 0.27 1.21 2.30 -2.21 0.00 0.00 174.62 176.60 2pnc n ILE 668 N 0.86 2.17 -3.55 5.08 -5.35 0.25 -4.80 119.36 114.03 2pnc n ILE 668 Ca 0.01 -3.11 -0.41 0.00 -0.27 0.00 0.00 62.75 58.97 2pnc n ILE 668 Cb 0.46 -0.24 -0.08 0.00 -1.74 0.00 0.00 39.64 38.04 2pnc n ILE 668 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pnc s ALA 669 N -3.19 3.39 -0.16 -1.28 0.00 -1.25 -4.20 121.76 115.07 2pnc s ALA 669 Ca 0.37 -2.49 -0.01 0.00 0.00 0.00 0.00 51.96 49.83 2pnc s ALA 669 Cb 0.36 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2pnc s ALA 669 CO -0.06 -1.88 0.14 0.41 0.00 0.00 0.00 175.76 174.37 2pnc n GLY 670 N 4.93 0.55 3.50 0.00 0.00 -0.57 -5.01 105.19 108.58 2pnc n GLY 670 Ca -0.08 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 2pnc n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnc s LYS 671 N -4.66 1.80 -0.62 1.61 -0.14 -1.13 -4.65 119.74 111.94 2pnc s LYS 671 Ca 0.04 -2.05 -0.27 0.00 -1.36 0.00 0.00 55.97 52.33 2pnc s LYS 671 Cb -0.02 -0.87 0.01 0.00 -1.68 0.00 0.00 37.83 35.28 2pnc s LYS 671 CO 0.09 -0.29 1.43 0.34 -0.76 0.00 0.00 175.35 176.17 2pnc s ASP 672 N -3.57 6.03 -0.04 2.83 2.15 -1.26 -1.70 116.67 121.11 2pnc s ASP 672 Ca 0.30 0.08 -0.08 0.00 0.43 0.00 0.00 52.55 53.28 2pnc s ASP 672 Cb 0.06 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.09 2pnc s ASP 672 CO 0.14 -1.83 0.25 -0.76 -0.17 0.00 0.00 175.17 172.80 2pnc s LEU 673 N 6.36 4.40 -0.06 -1.34 1.02 -1.26 0.13 118.68 127.93 2pnc s LEU 673 Ca 0.49 0.61 0.06 0.00 0.02 0.00 0.00 54.13 55.31 2pnc s LEU 673 Cb -0.10 -2.42 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 2pnc s LEU 673 CO 0.22 0.33 -0.25 -0.69 0.02 0.00 0.00 176.35 175.98 2pnc s VAL 674 N -1.15 2.07 -0.15 -1.59 1.01 0.21 -4.03 120.40 116.78 2pnc s VAL 674 Ca 0.22 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2pnc s VAL 674 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2pnc s VAL 674 CO 0.11 0.57 0.15 0.00 0.00 0.00 0.00 175.10 175.93 2pnc s ALA 675 N -0.13 3.80 -0.16 5.51 0.00 0.47 -1.00 121.76 130.25 2pnc s ALA 675 Ca -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2pnc s ALA 675 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2pnc s ALA 675 CO 0.04 0.44 -0.18 -1.58 0.00 0.00 0.00 175.76 174.47 2pnc s TRP 676 N -0.49 2.54 -0.11 0.00 0.52 0.21 0.11 118.94 121.72 2pnc s TRP 676 Ca 0.13 -1.44 0.03 0.00 0.02 0.00 0.00 56.10 54.84 2pnc s TRP 676 Cb -0.12 -1.78 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 2pnc s TRP 676 CO 0.02 -0.72 -0.21 0.08 0.02 0.00 0.00 176.95 176.14 2pnc s VAL 677 N 1.25 2.27 -0.19 4.03 1.01 -0.70 -0.15 120.40 127.92 2pnc s VAL 677 Ca 0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 2pnc s VAL 677 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2pnc s VAL 677 CO -0.10 0.55 0.08 -0.89 0.00 0.00 0.00 175.10 174.74 2pnc s THR 678 N 0.43 4.96 0.01 3.92 2.01 -0.65 -1.37 115.64 124.95 2pnc s THR 678 Ca -0.15 0.03 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2pnc s THR 678 Cb -0.17 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2pnc s THR 678 CO 0.07 0.45 -0.15 0.00 -0.69 0.00 0.00 174.62 174.30 2pnc s ALA 679 N 0.38 1.26 0.01 7.40 0.00 -0.76 -4.67 121.76 125.38 2pnc s ALA 679 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 2pnc s ALA 679 Cb -0.12 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.78 2pnc s ALA 679 CO -0.00 0.28 0.69 0.41 0.00 0.00 0.00 175.76 177.14 2pnc n GLY 680 N 2.38 0.52 3.53 0.00 0.00 -1.26 -0.52 105.19 109.83 2pnc n GLY 680 Ca -0.16 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2pnc n GLY 680 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnc s PHE 681 N -2.79 -0.46 0.18 1.61 -0.71 -0.46 -2.66 117.98 112.69 2pnc s PHE 681 Ca 0.16 0.65 -0.28 0.00 -1.04 0.00 0.00 56.93 56.41 2pnc s PHE 681 Cb -0.01 0.47 -0.08 0.00 -1.21 0.00 0.00 43.02 42.19 2pnc s PHE 681 CO 0.00 -0.50 0.89 -1.17 -1.34 0.00 0.00 175.22 173.10 2pnc s LEU 682 N -1.58 4.59 -0.29 -1.99 1.98 -1.25 -1.37 118.68 118.77 2pnc s LEU 682 Ca -0.03 1.80 0.01 0.00 -2.89 0.00 0.00 54.13 53.03 2pnc s LEU 682 Cb -0.00 -3.50 0.09 0.00 0.66 0.00 0.00 46.19 43.43 2pnc s LEU 682 CO 0.00 0.11 0.04 -2.28 -1.89 0.00 0.00 176.35 172.33 2pnc s HIS 683 N -0.81 2.46 -0.50 5.38 5.65 -0.14 -4.97 115.29 122.35 2pnc s HIS 683 Ca 0.41 -2.07 -0.17 0.00 0.25 0.00 0.00 55.06 53.48 2pnc s HIS 683 Cb -0.24 -2.00 0.07 0.00 -1.18 0.00 0.00 32.58 29.24 2pnc s HIS 683 CO 0.29 -0.86 0.52 0.42 -0.65 0.00 0.00 174.74 174.46 2pnc s ILE 684 N 1.36 5.06 0.34 0.89 1.01 -1.26 -2.68 121.20 125.92 2pnc s ILE 684 Ca 0.05 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 2pnc s ILE 684 Cb -0.18 -4.24 -0.12 0.00 0.01 0.00 0.00 42.46 37.93 2pnc s ILE 684 CO -0.14 -0.73 1.40 -2.65 0.00 0.00 0.00 174.94 172.81 2pnc n PRO 685 N 5.67 2.35 -4.43 2.79 -0.02 -1.26 -4.99 135.00 135.11 2pnc n PRO 685 Ca -0.10 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 2pnc n PRO 685 Cb 0.44 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 2pnc n PRO 685 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2pnc s HIS 686 N -0.86 1.80 0.38 6.00 -3.43 -1.26 -4.15 115.29 113.77 2pnc s HIS 686 Ca 0.57 -1.12 0.13 0.00 -0.80 0.00 0.00 55.06 53.84 2pnc s HIS 686 Cb -0.54 -1.14 0.95 0.00 -1.43 0.00 0.00 32.58 30.42 2pnc s HIS 686 CO 0.60 -0.18 1.84 0.00 -2.00 0.00 0.00 174.74 175.00 2pnc h ALA 687 N 2.09 2.01 0.00 -1.38 0.00 -1.92 0.75 119.26 120.81 2pnc h ALA 687 Ca -0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2pnc h ALA 687 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pnc h ALA 687 CO 0.63 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.96 2pnc n GLU 688 N -4.57 0.07 0.00 0.00 4.71 -1.26 -1.78 120.64 117.81 2pnc n GLU 688 Ca 0.20 0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.75 2pnc n GLU 688 Cb 0.62 -1.50 0.64 0.00 -1.01 0.00 0.00 31.44 30.19 2pnc n GLU 688 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2pnc n ASP 689 N -1.40 0.70 -4.35 1.62 8.00 0.26 -4.66 116.55 116.71 2pnc n ASP 689 Ca 0.04 -0.94 -0.33 0.00 0.71 0.00 0.00 54.79 54.27 2pnc n ASP 689 Cb 0.11 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.04 2pnc n ASP 689 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnc s ILE 690 N -2.25 2.92 0.25 0.53 -1.09 -0.73 -2.45 121.20 118.38 2pnc s ILE 690 Ca 0.35 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2pnc s ILE 690 Cb 0.21 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 2pnc s ILE 690 CO 0.42 0.53 1.60 1.55 -1.23 0.00 0.00 174.94 177.80 2pnc h PRO 691 N 6.66 0.27 -3.90 2.79 0.13 -1.87 -3.49 132.00 132.59 2pnc h PRO 691 Ca -0.25 -0.17 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 2pnc h PRO 691 Cb 1.21 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 2pnc h PRO 691 CO 0.54 0.74 -0.59 0.54 -0.23 0.00 0.00 178.00 179.00 2pnc s ASN 692 N -6.89 0.23 0.00 1.44 4.22 -1.03 -4.60 114.94 108.32 2pnc s ASN 692 Ca -0.04 -0.57 -0.22 0.00 -2.14 0.00 0.00 52.86 49.89 2pnc s ASN 692 Cb 0.12 0.19 -0.05 0.00 1.28 0.00 0.00 41.25 42.79 2pnc s ASN 692 CO 0.79 -0.45 0.65 0.42 -2.04 0.00 0.00 177.10 176.47 2pnc s THR 693 N -2.39 4.87 0.34 0.54 -4.23 -0.21 -4.63 115.64 109.93 2pnc s THR 693 Ca -0.07 1.37 -0.13 0.00 -1.18 0.00 0.00 61.69 61.68 2pnc s THR 693 Cb -0.03 -3.99 -0.08 0.00 1.34 0.00 0.00 72.50 69.74 2pnc s THR 693 CO -0.04 0.39 0.72 0.68 -0.54 0.00 0.00 174.62 175.83 2pnc s VAL 694 N -0.06 4.75 -0.07 2.29 -7.23 -1.26 -2.54 120.40 116.28 2pnc s VAL 694 Ca 0.34 0.77 -0.00 0.00 -1.81 0.00 0.00 61.98 61.27 2pnc s VAL 694 Cb -0.19 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.16 2pnc s VAL 694 CO 0.19 -0.28 1.83 0.35 -0.31 0.00 0.00 175.10 176.88 2pnc n THR 695 N -0.64 2.01 -2.48 5.32 -2.24 -1.26 -4.88 114.28 110.11 2pnc n THR 695 Ca 0.03 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 2pnc n THR 695 Cb 0.53 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 2pnc n THR 695 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pnc s VAL 696 N -0.53 4.24 0.00 2.28 1.01 -1.26 -4.56 120.40 121.59 2pnc s VAL 696 Ca 0.07 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2pnc s VAL 696 Cb 0.06 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2pnc s VAL 696 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2pnc n GLY 697 N 3.23 -0.26 3.25 4.51 0.00 -1.26 -4.91 105.19 109.76 2pnc n GLY 697 Ca 0.09 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 2pnc n GLY 697 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pnc s ASN 698 N -4.00 2.37 0.00 1.61 0.02 -1.26 -5.14 114.94 108.54 2pnc s ASN 698 Ca 0.00 -0.61 0.00 0.00 -1.02 0.00 0.00 52.86 51.23 2pnc s ASN 698 Cb 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 41.25 41.12 2pnc s ASN 698 CO 0.00 0.08 0.00 0.61 0.02 0.00 0.00 177.10 177.81 2pnc n GLY 699 N 1.42 0.87 3.25 0.66 0.00 -1.26 -5.09 105.19 105.04 2pnc n GLY 699 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2pnc n GLY 699 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnc s VAL 700 N 0.04 1.29 0.00 1.61 -7.23 -0.83 -4.92 120.40 110.35 2pnc s VAL 700 Ca 0.00 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2pnc s VAL 700 Cb 0.00 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2pnc s VAL 700 CO 0.00 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 2pnc n GLY 701 N 0.28 -0.59 3.80 2.32 0.00 -0.14 -0.20 105.19 110.65 2pnc n GLY 701 Ca -0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 2pnc n GLY 701 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnc s PHE 702 N -3.00 -0.14 -0.01 1.61 -0.12 -0.74 -1.13 117.98 114.43 2pnc s PHE 702 Ca 0.00 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 2pnc s PHE 702 Cb 0.00 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 2pnc s PHE 702 CO 0.00 -0.99 -0.25 -0.06 -0.05 0.00 0.00 175.22 173.87 2pnc s PHE 703 N -3.47 2.37 -0.36 3.49 0.40 0.87 -2.27 117.98 119.01 2pnc s PHE 703 Ca 0.12 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2pnc s PHE 703 Cb -0.03 -1.50 0.08 0.00 0.51 0.00 0.00 43.02 42.07 2pnc s PHE 703 CO 0.04 0.01 0.12 -0.51 0.70 0.00 0.00 175.22 175.58 2pnc s LEU 704 N -0.71 4.62 -0.06 -0.37 1.43 0.04 -1.15 118.68 122.48 2pnc s LEU 704 Ca 0.10 -1.62 0.03 0.00 -1.03 0.00 0.00 54.13 51.61 2pnc s LEU 704 Cb -0.10 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2pnc s LEU 704 CO -0.00 -0.41 -0.13 -0.13 0.23 0.00 0.00 176.35 175.91 2pnc s ARG 705 N 1.22 2.66 -0.03 1.70 0.52 -0.60 -1.49 118.95 122.93 2pnc s ARG 705 Ca 0.02 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 2pnc s ARG 705 Cb -0.21 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 2pnc s ARG 705 CO -0.02 0.58 1.49 -1.25 0.02 0.00 0.00 175.30 176.11 2pnc s PRO 706 N -0.60 4.24 -0.37 3.54 0.04 -1.26 0.32 135.00 140.90 2pnc s PRO 706 Ca 0.09 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.18 2pnc s PRO 706 Cb -0.11 -3.73 0.11 0.00 0.04 0.00 0.00 34.50 30.81 2pnc s PRO 706 CO 0.01 -0.69 0.13 -0.47 0.04 0.00 0.00 177.00 176.02 2pnc s TYR 707 N 3.08 2.72 -1.62 0.56 5.04 0.39 -4.70 117.35 122.81 2pnc s TYR 707 Ca 0.66 -2.52 0.00 0.00 -2.44 0.00 0.00 57.07 52.77 2pnc s TYR 707 Cb -0.31 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.65 2pnc s TYR 707 CO 0.26 -0.87 0.00 0.09 -1.34 0.00 0.00 175.55 173.69 2pnc n ASN 708 N 4.16 -4.89 0.01 4.32 3.02 -1.26 -2.87 115.26 117.75 2pnc n ASN 708 Ca 0.03 0.30 -0.13 0.00 -0.03 0.00 0.00 54.58 54.75 2pnc n ASN 708 Cb 0.39 -3.85 -0.01 0.00 -0.61 0.00 0.00 39.78 35.70 2pnc n ASN 708 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2pnc h PHE 709 N 0.00 0.80 -0.65 3.10 3.57 -1.84 -3.33 116.94 118.58 2pnc h PHE 709 Ca -0.34 -0.34 -0.53 0.00 3.53 0.00 0.00 57.97 60.29 2pnc h PHE 709 Cb 1.10 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 2pnc h PHE 709 CO 0.44 1.13 -0.18 -0.06 -2.23 0.00 0.00 178.31 177.41 2pnc s PHE 710 N -3.74 1.43 -1.55 0.41 0.08 -1.26 -4.87 117.98 108.48 2pnc s PHE 710 Ca -0.08 -0.79 0.19 0.00 0.12 0.00 0.00 56.93 56.37 2pnc s PHE 710 Cb 0.10 -2.08 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 2pnc s PHE 710 CO 0.87 -0.90 0.93 -0.25 -0.10 0.00 0.00 175.22 175.76 2pnc n ASP 711 N -2.06 1.60 -3.58 1.36 8.00 -1.26 -4.78 116.55 115.83 2pnc n ASP 711 Ca 0.09 -1.30 -0.00 0.00 0.71 0.00 0.00 54.79 54.28 2pnc n ASP 711 Cb 0.63 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 42.35 2pnc n ASP 711 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pnc s GLN 712 N -2.35 0.87 0.11 -1.24 -2.07 -1.26 -4.96 119.66 108.76 2pnc s GLN 712 Ca 0.14 -0.55 -0.35 0.00 -1.82 0.00 0.00 55.36 52.78 2pnc s GLN 712 Cb 0.15 0.24 -0.14 0.00 -1.09 0.00 0.00 33.01 32.17 2pnc s GLN 712 CO 0.56 -0.41 1.55 -1.91 -1.32 0.00 0.00 175.29 173.77 2pnc n GLU 713 N -0.77 1.88 -2.23 9.60 2.13 -1.26 -4.92 120.64 125.08 2pnc n GLU 713 Ca -0.01 0.68 -0.37 0.00 0.66 0.00 0.00 57.16 58.12 2pnc n GLU 713 Cb 0.59 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.87 2pnc n GLU 713 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2pnc s PRO 714 N 1.18 3.75 0.55 5.31 0.02 -1.26 -5.03 135.00 139.51 2pnc s PRO 714 Ca 0.82 1.81 -0.06 0.00 0.02 0.00 0.00 61.00 63.59 2pnc s PRO 714 Cb -0.76 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2pnc s PRO 714 CO 0.42 -0.57 0.86 -1.54 -0.33 0.00 0.00 177.00 175.84 2pnc s SER 715 N -1.31 5.94 0.31 2.53 1.04 -1.26 -4.96 113.70 116.00 2pnc s SER 715 Ca 0.63 0.88 0.09 0.00 0.48 0.00 0.00 55.95 58.03 2pnc s SER 715 Cb -0.30 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 63.75 2pnc s SER 715 CO 0.36 -0.84 -0.11 0.00 0.98 0.00 0.00 173.24 173.64 2pnc s MET 716 N -4.90 1.72 0.00 4.02 0.23 -1.26 -5.01 119.30 114.09 2pnc s MET 716 Ca 0.51 -1.86 0.00 0.00 -1.03 0.00 0.00 55.69 53.31 2pnc s MET 716 Cb -0.10 -1.57 0.00 0.00 -1.53 0.00 0.00 34.83 31.62 2pnc s MET 716 CO 0.46 0.15 0.00 -3.47 -2.03 0.00 0.00 175.02 170.13