#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pns n PRO 2 N 0.00 0.81 0.21 1.96 -0.02 -1.26 -4.90 135.00 131.79 2pns n PRO 2 Ca 0.00 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2pns n PRO 2 Cb 0.00 -2.16 0.33 0.00 -0.02 0.00 0.00 33.50 31.66 2pns n PRO 2 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2pns h GLU 3 N 0.34 0.00 -2.48 -0.52 4.39 -2.02 -3.46 114.58 110.83 2pns h GLU 3 Ca -0.48 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 2pns h GLU 3 Cb 1.36 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.84 2pns h GLU 3 CO 0.50 0.00 0.08 1.14 -1.16 0.00 0.00 179.01 179.57 2pns s GLN 4 N -3.29 1.02 -0.22 2.33 -2.07 -1.26 -4.43 119.66 111.74 2pns s GLN 4 Ca 0.06 -0.03 -0.27 0.00 -1.82 0.00 0.00 55.36 53.31 2pns s GLN 4 Cb 0.07 0.47 0.09 0.00 -1.09 0.00 0.00 33.01 32.55 2pns s GLN 4 CO 0.62 -0.34 0.80 -1.50 -1.32 0.00 0.00 175.29 173.54 2pns s ILE 5 N -1.85 0.00 -0.26 3.63 2.07 -0.15 -4.99 121.20 119.66 2pns s ILE 5 Ca -0.08 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 2pns s ILE 5 Cb -0.01 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.68 2pns s ILE 5 CO 0.03 0.00 0.17 -0.62 -1.91 0.00 0.00 174.94 172.61 2pns s ASP 6 N -0.06 2.77 0.57 4.50 -1.08 -1.26 -1.02 116.67 121.08 2pns s ASP 6 Ca -0.02 -0.97 0.38 0.00 -0.52 0.00 0.00 52.55 51.42 2pns s ASP 6 Cb -0.04 -0.09 1.98 0.00 -1.46 0.00 0.00 42.92 43.31 2pns s ASP 6 CO 0.01 -0.40 2.16 -0.50 0.52 0.00 0.00 175.17 176.95 2pns h TRP 7 N 8.37 0.00 -0.35 -5.34 4.06 -1.59 -1.28 115.95 119.83 2pns h TRP 7 Ca -0.18 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 2pns h TRP 7 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 2pns h TRP 7 CO 0.25 0.00 -0.15 0.00 -3.56 0.00 0.00 178.44 174.99 2pns h ARG 8 N 0.00 0.62 0.00 0.49 3.08 -1.93 -2.26 114.38 114.37 2pns h ARG 8 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2pns h ARG 8 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2pns h ARG 8 CO 0.00 0.74 0.00 1.63 -1.07 0.00 0.00 179.97 181.27 2pns n LYS 9 N -4.17 0.45 -0.16 0.04 5.02 -0.48 -2.99 118.16 115.87 2pns n LYS 9 Ca 0.01 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 2pns n LYS 9 Cb 0.36 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.02 2pns n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pns n LYS 10 N -1.24 2.44 -1.47 1.97 5.02 -0.87 -4.99 118.16 119.00 2pns n LYS 10 Ca 0.14 -1.95 -0.06 0.00 -2.02 0.00 0.00 58.31 54.42 2pns n LYS 10 Cb 0.20 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 2pns n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pns n GLY 11 N 0.65 0.64 0.87 0.72 0.00 -1.16 -4.94 105.19 101.97 2pns n GLY 11 Ca 0.12 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.52 2pns n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pns n ALA 12 N 0.37 2.44 -3.25 4.61 0.00 -1.07 -4.81 120.51 118.81 2pns n ALA 12 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 2pns n ALA 12 Cb 0.32 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 18.90 2pns n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pns s VAL 13 N -1.57 1.79 0.69 0.00 1.01 -1.26 -3.81 120.40 117.26 2pns s VAL 13 Ca 0.27 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2pns s VAL 13 Cb 0.18 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2pns s VAL 13 CO 0.26 0.50 1.08 0.42 0.00 0.00 0.00 175.10 177.36 2pns s THR 14 N 0.39 3.46 0.69 3.92 -4.23 -1.26 -4.97 115.64 113.64 2pns s THR 14 Ca -0.17 0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 2pns s THR 14 Cb -0.17 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 2pns s THR 14 CO 0.07 -0.59 0.97 -2.65 -0.54 0.00 0.00 174.62 171.88 2pns n PRO 15 N -2.97 0.63 -1.72 3.99 -0.02 -1.26 -4.89 135.00 128.76 2pns n PRO 15 Ca 0.07 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2pns n PRO 15 Cb 0.57 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 2pns n PRO 15 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pns n VAL 16 N -2.27 2.40 -4.19 -1.45 0.31 -1.26 -5.03 118.33 106.84 2pns n VAL 16 Ca 0.13 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.70 2pns n VAL 16 Cb 0.49 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 2pns n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pns s LYS 17 N -2.17 2.22 -0.11 5.55 1.02 -1.26 -4.84 119.74 120.15 2pns s LYS 17 Ca 0.59 -1.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 2pns s LYS 17 Cb -0.50 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2pns s LYS 17 CO 0.60 -0.25 0.00 1.21 -0.92 0.00 0.00 175.35 175.99 2pns s ASN 18 N -3.97 1.98 0.09 2.83 3.84 -1.26 -1.78 114.94 116.67 2pns s ASN 18 Ca 0.34 -0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.35 2pns s ASN 18 Cb 0.03 -0.51 0.93 0.00 -0.55 0.00 0.00 41.25 41.15 2pns s ASN 18 CO 0.19 -0.22 1.73 0.00 -2.79 0.00 0.00 177.10 176.01 2pns n GLN 19 N 5.11 0.09 0.00 0.43 10.64 -0.00 -4.91 117.38 128.73 2pns n GLN 19 Ca -0.08 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 2pns n GLN 19 Cb 0.49 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2pns n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pns n GLY 20 N 0.78 0.77 2.39 2.61 0.00 -1.26 -3.38 105.19 107.10 2pns n GLY 20 Ca 0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2pns n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pns n LYS 21 N 0.00 3.44 -3.75 1.61 5.02 -1.26 -4.81 118.16 118.40 2pns n LYS 21 Ca 0.00 -2.58 -0.14 0.00 -2.02 0.00 0.00 58.31 53.57 2pns n LYS 21 Cb 0.00 -2.43 -0.15 0.00 -0.02 0.00 0.00 35.03 32.44 2pns n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pns n GLY 23 N 4.20 3.47 0.81 0.00 0.00 -0.26 -4.53 105.19 108.88 2pns n GLY 23 Ca -0.27 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 44.67 2pns n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pns n SER 24 N 4.65 3.39 0.21 1.61 3.41 -1.26 -2.83 113.62 122.79 2pns n SER 24 Ca 0.55 -3.17 0.14 0.00 -0.26 0.00 0.00 58.87 56.14 2pns n SER 24 Cb 0.22 -0.54 0.77 0.00 -0.26 0.00 0.00 64.21 64.40 2pns n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pns h TRP 26 N 0.00 0.10 0.15 0.00 5.08 -1.86 -0.20 115.95 119.23 2pns h TRP 26 Ca 0.06 -0.01 -0.26 0.00 1.08 0.00 0.00 58.89 59.76 2pns h TRP 26 Cb 0.30 -0.03 0.01 0.00 -3.00 0.00 0.00 29.16 26.44 2pns h TRP 26 CO 0.00 0.21 -1.26 0.00 -1.28 0.00 0.00 178.44 176.11 2pns h ALA 27 N 1.80 0.04 -0.69 0.11 0.00 -1.10 -3.15 119.26 116.27 2pns h ALA 27 Ca 0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.95 2pns h ALA 27 Cb 0.25 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2pns h ALA 27 CO 0.02 0.68 0.25 0.74 0.00 0.00 0.00 179.25 180.94 2pns h PHE 28 N -0.22 1.07 0.46 0.00 -1.00 -1.10 -1.30 116.94 114.85 2pns h PHE 28 Ca -0.25 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.42 2pns h PHE 28 Cb 1.82 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 41.06 2pns h PHE 28 CO 0.15 0.84 -0.22 0.66 -1.61 0.00 0.00 178.31 178.13 2pns h SER 29 N 0.99 -0.52 -0.61 2.17 4.64 -1.18 -1.95 113.55 117.08 2pns h SER 29 Ca 0.23 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2pns h SER 29 Cb 0.24 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2pns h SER 29 CO -0.01 -0.25 0.35 0.71 -0.87 0.00 0.00 176.83 176.76 2pns h THR 30 N -0.79 1.19 -0.91 2.95 1.35 -1.55 -2.72 112.91 112.42 2pns h THR 30 Ca -0.06 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 2pns h THR 30 Cb 0.55 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 2pns h THR 30 CO 0.10 0.21 0.51 0.58 -0.25 0.00 0.00 175.52 176.67 2pns h VAL 31 N 0.83 1.26 -0.96 6.82 2.07 -1.26 -2.14 116.25 122.88 2pns h VAL 31 Ca 0.22 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2pns h VAL 31 Cb 0.02 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.75 2pns h VAL 31 CO -0.04 0.29 0.62 -1.28 0.02 0.00 0.00 177.57 177.18 2pns h SER 32 N 1.27 1.01 0.63 0.57 0.87 -1.05 -0.22 113.55 116.63 2pns h SER 32 Ca 0.32 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 2pns h SER 32 Cb 0.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2pns h SER 32 CO -0.05 0.67 -0.41 0.71 -0.53 0.00 0.00 176.83 177.22 2pns h THR 33 N 1.16 1.07 -0.22 2.23 1.35 -1.17 -2.22 112.91 115.12 2pns h THR 33 Ca 0.40 -1.51 -0.20 0.00 -0.55 0.00 0.00 66.41 64.55 2pns h THR 33 Cb 0.07 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2pns h THR 33 CO -0.14 0.40 -0.66 0.58 -0.25 0.00 0.00 175.52 175.45 2pns h VAL 34 N 0.00 1.28 -0.58 6.82 2.07 -0.65 -1.12 116.25 124.07 2pns h VAL 34 Ca -0.00 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 2pns h VAL 34 Cb 0.83 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2pns h VAL 34 CO 0.05 0.60 0.33 -0.33 0.02 0.00 0.00 177.57 178.24 2pns h GLU 35 N 0.59 0.80 -0.10 1.57 5.08 -0.89 -2.03 114.58 119.60 2pns h GLU 35 Ca -0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2pns h GLU 35 Cb 1.27 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2pns h GLU 35 CO 0.14 0.60 -0.02 0.77 -1.00 0.00 0.00 179.01 179.50 2pns h SER 36 N 0.78 0.19 -0.01 1.42 0.02 -1.32 -2.30 113.55 112.33 2pns h SER 36 Ca 0.20 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2pns h SER 36 Cb 0.02 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2pns h SER 36 CO -0.04 0.49 -0.11 -0.29 -1.14 0.00 0.00 176.83 175.75 2pns h ILE 37 N -0.12 1.17 -0.61 3.27 6.09 -1.17 -0.45 117.51 125.70 2pns h ILE 37 Ca 0.03 -0.75 -0.10 0.00 -1.37 0.00 0.00 64.86 62.67 2pns h ILE 37 Cb 0.41 1.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.84 2pns h ILE 37 CO 0.01 0.24 -0.01 -1.13 -3.07 0.00 0.00 178.15 174.18 2pns h ASN 38 N 0.25 1.06 -0.39 2.19 -1.24 -1.27 -1.25 115.58 114.93 2pns h ASN 38 Ca 0.05 -0.31 -0.15 0.00 0.71 0.00 0.00 56.30 56.60 2pns h ASN 38 Cb 0.35 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2pns h ASN 38 CO 0.02 1.11 -0.35 -0.61 -1.29 0.00 0.00 177.43 176.31 2pns h GLN 39 N 0.98 0.94 -0.81 6.67 -0.00 -0.79 0.12 115.11 122.21 2pns h GLN 39 Ca 0.17 -0.47 -0.04 0.00 -0.00 0.00 0.00 58.65 58.31 2pns h GLN 39 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.02 2pns h GLN 39 CO 0.03 1.13 0.35 0.82 0.00 0.00 0.00 178.83 181.16 2pns h ILE 40 N 0.77 1.26 0.13 2.39 2.04 -0.95 0.59 117.51 123.74 2pns h ILE 40 Ca 0.07 -0.78 -0.30 0.00 1.00 0.00 0.00 64.86 64.85 2pns h ILE 40 Cb 0.94 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2pns h ILE 40 CO 0.09 0.33 -1.45 0.03 0.00 0.00 0.00 178.15 177.14 2pns h ARG 41 N 1.17 0.28 0.00 2.37 2.47 -1.14 -3.40 114.38 116.13 2pns h ARG 41 Ca 0.27 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2pns h ARG 41 Cb 0.18 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2pns h ARG 41 CO -0.03 1.17 -1.05 0.25 0.56 0.00 0.00 179.97 180.87 2pns n THR 42 N -3.49 0.00 -0.58 2.04 -2.24 0.40 -5.00 114.28 105.40 2pns n THR 42 Ca -0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2pns n THR 42 Cb 1.04 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2pns n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pns n GLY 43 N 1.68 1.09 3.59 3.38 0.00 0.21 -5.01 105.19 110.12 2pns n GLY 43 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2pns n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pns s ASN 44 N -3.08 5.58 -0.31 1.61 0.01 -1.25 -4.97 114.94 112.53 2pns s ASN 44 Ca 0.00 0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.04 2pns s ASN 44 Cb 0.00 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2pns s ASN 44 CO 0.00 0.10 0.25 -0.22 -1.51 0.00 0.00 177.10 175.72 2pns s LEU 45 N 0.81 4.25 -0.03 0.60 2.96 -1.26 -3.42 118.68 122.58 2pns s LEU 45 Ca 0.04 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2pns s LEU 45 Cb -0.13 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.38 2pns s LEU 45 CO 0.02 -0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.17 2pns s ILE 46 N 1.81 0.84 -0.16 6.68 1.01 -1.26 -5.11 121.20 125.01 2pns s ILE 46 Ca 0.08 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 2pns s ILE 46 Cb -0.17 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2pns s ILE 46 CO 0.11 0.27 0.82 -0.55 0.00 0.00 0.00 174.94 175.59 2pns s SER 47 N 0.31 6.96 0.34 3.58 0.15 -1.26 -4.77 113.70 119.01 2pns s SER 47 Ca -0.05 1.18 0.07 0.00 0.70 0.00 0.00 55.95 57.84 2pns s SER 47 Cb -0.10 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2pns s SER 47 CO 0.01 -0.38 0.39 -0.76 1.20 0.00 0.00 173.24 173.70 2pns s LEU 48 N 2.07 3.76 -0.43 3.45 1.43 -1.26 -0.87 118.68 126.82 2pns s LEU 48 Ca 0.38 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 2pns s LEU 48 Cb -0.17 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.61 2pns s LEU 48 CO 0.13 -0.42 1.02 -0.55 0.23 0.00 0.00 176.35 176.76 2pns s SER 49 N -4.10 6.64 0.15 2.29 0.15 -0.42 -4.00 113.70 114.42 2pns s SER 49 Ca 0.44 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.60 2pns s SER 49 Cb -0.07 -2.50 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 2pns s SER 49 CO 0.29 -1.06 1.33 -0.33 1.20 0.00 0.00 173.24 174.67 2pns h GLU 50 N 8.87 0.09 -0.33 5.44 3.07 -1.90 -3.26 114.58 126.55 2pns h GLU 50 Ca -0.23 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.49 2pns h GLU 50 Cb 1.07 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 2pns h GLU 50 CO 1.05 0.97 0.11 0.37 -1.40 0.00 0.00 179.01 180.11 2pns h GLN 51 N 0.04 0.47 -0.97 2.33 5.75 -1.85 -1.98 115.11 118.90 2pns h GLN 51 Ca -0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2pns h GLN 51 Cb 1.64 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 30.05 2pns h GLN 51 CO 0.13 0.42 0.61 0.37 -2.65 0.00 0.00 178.83 177.71 2pns h GLN 52 N 0.47 1.30 -0.22 1.69 4.15 -1.81 -0.50 115.11 120.19 2pns h GLN 52 Ca 0.11 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 2pns h GLN 52 Cb 0.14 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 2pns h GLN 52 CO -0.01 0.89 -0.38 -0.07 -1.93 0.00 0.00 178.83 177.34 2pns h LEU 53 N 1.33 0.72 -0.83 -2.39 3.38 -1.54 0.11 115.31 116.09 2pns h LEU 53 Ca 0.35 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2pns h LEU 53 Cb -0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 2pns h LEU 53 CO -0.07 1.11 0.51 0.58 0.09 0.00 0.00 178.44 180.67 2pns h VAL 54 N 0.35 1.05 0.20 1.22 2.07 -0.98 0.16 116.25 120.31 2pns h VAL 54 Ca 0.02 -0.33 -0.34 0.00 0.82 0.00 0.00 66.70 66.87 2pns h VAL 54 Cb 0.97 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2pns h VAL 54 CO 0.09 0.17 -1.61 0.44 0.02 0.00 0.00 177.57 176.68 2pns h ASP 55 N 0.95 0.66 0.00 0.57 3.32 -1.06 -3.37 116.42 117.49 2pns h ASP 55 Ca 0.36 -0.85 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 2pns h ASP 55 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pns h ASP 55 CO -0.16 1.70 -2.00 0.00 -1.72 0.00 0.00 179.24 177.05 2pns n ASN 57 N -2.30 3.93 0.09 0.00 5.15 0.54 -4.77 115.26 117.90 2pns n ASN 57 Ca -0.09 -2.83 0.18 0.00 -0.60 0.00 0.00 54.58 51.25 2pns n ASN 57 Cb 0.64 -1.62 0.72 0.00 -0.53 0.00 0.00 39.78 38.99 2pns n ASN 57 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2pns h LYS 58 N 7.22 0.00 0.00 1.20 1.79 -1.85 -0.62 116.57 124.31 2pns h LYS 58 Ca 0.47 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.92 2pns h LYS 58 Cb 0.75 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2pns h LYS 58 CO 1.69 0.00 -0.11 0.87 -1.08 0.00 0.00 179.45 180.81 2pns h LYS 59 N 0.00 0.00 0.00 3.15 1.57 -1.93 -3.43 116.57 115.93 2pns h LYS 59 Ca 0.17 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.48 2pns h LYS 59 Cb 0.76 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.12 2pns h LYS 59 CO -0.00 0.11 0.01 0.09 -0.57 0.00 0.00 179.45 179.09 2pns n ASN 60 N -3.49 1.80 -2.64 0.86 3.02 -0.24 -4.96 115.26 109.61 2pns n ASN 60 Ca -0.01 -2.38 -0.27 0.00 -0.03 0.00 0.00 54.58 51.88 2pns n ASN 60 Cb 0.26 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 2pns n ASN 60 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2pns n HIS 61 N -2.51 3.60 0.00 3.10 8.25 -0.12 -4.97 115.22 122.57 2pns n HIS 61 Ca 0.17 -3.36 0.00 0.00 -0.26 0.00 0.00 57.72 54.26 2pns n HIS 61 Cb 0.60 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2pns n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pns n GLY 62 N -0.41 2.60 0.10 -1.41 0.00 -1.26 -0.12 105.19 104.70 2pns n GLY 62 Ca 0.37 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.65 2pns n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pns n LYS 64 N -0.50 2.12 0.00 0.00 5.02 0.82 -1.11 118.16 124.52 2pns n LYS 64 Ca 0.10 -1.92 0.00 0.00 -2.02 0.00 0.00 58.31 54.47 2pns n LYS 64 Cb 0.09 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2pns n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pns n GLY 65 N 1.26 2.50 3.75 0.72 0.00 -1.13 -4.94 105.19 107.35 2pns n GLY 65 Ca 0.14 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 44.05 2pns n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pns s GLY 66 N 0.00 -0.33 0.09 -0.02 0.00 -1.26 -0.94 107.32 104.85 2pns s GLY 66 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.32 2pns s GLY 66 CO 0.00 2.47 -0.17 0.00 0.00 0.00 0.00 173.10 175.40 2pns s ALA 67 N -2.16 2.67 0.13 3.20 0.00 -1.26 -4.82 121.76 119.52 2pns s ALA 67 Ca 0.21 -1.28 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 2pns s ALA 67 Cb 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2pns s ALA 67 CO -0.04 0.59 1.66 0.74 0.00 0.00 0.00 175.76 178.71 2pns h PHE 68 N 4.05 -0.44 -0.77 0.00 0.05 -2.00 -2.82 116.94 115.00 2pns h PHE 68 Ca -0.49 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.44 2pns h PHE 68 Cb 1.16 0.21 -0.08 0.00 2.00 0.00 0.00 35.95 39.24 2pns h PHE 68 CO 0.58 -0.25 0.38 -0.39 -0.18 0.00 0.00 178.31 178.45 2pns h VAL 69 N -0.24 0.80 0.00 -0.55 -1.51 -1.98 -1.01 116.25 111.76 2pns h VAL 69 Ca 0.08 -0.21 -0.08 0.00 -1.23 0.00 0.00 66.70 65.26 2pns h VAL 69 Cb 0.35 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 2pns h VAL 69 CO -0.23 0.11 -0.40 1.88 -1.23 0.00 0.00 177.57 177.71 2pns h TYR 70 N 0.61 0.00 -0.08 5.19 0.05 -1.96 -1.12 116.97 119.66 2pns h TYR 70 Ca 0.39 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.12 2pns h TYR 70 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 2pns h TYR 70 CO -0.11 0.40 -0.14 0.00 -1.05 0.00 0.00 178.16 177.26 2pns h ALA 71 N 1.60 0.13 -0.53 3.88 0.00 -0.98 -2.05 119.26 121.32 2pns h ALA 71 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2pns h ALA 71 Cb 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pns h ALA 71 CO 0.05 0.03 0.18 1.88 0.00 0.00 0.00 179.25 181.39 2pns h TYR 72 N -0.21 0.84 -0.80 0.00 0.99 -1.21 -2.70 116.97 113.87 2pns h TYR 72 Ca 0.01 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2pns h TYR 72 Cb 0.72 -0.24 -0.04 0.00 1.00 0.00 0.00 36.73 38.16 2pns h TYR 72 CO 0.11 0.71 0.46 0.37 -0.00 0.00 0.00 178.16 179.81 2pns h GLN 73 N 0.72 1.09 -0.34 4.88 5.75 -1.22 -1.92 115.11 124.07 2pns h GLN 73 Ca 0.17 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2pns h GLN 73 Cb 0.25 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2pns h GLN 73 CO -0.01 0.78 0.20 -0.92 -2.65 0.00 0.00 178.83 176.23 2pns h TYR 74 N 1.11 0.47 -0.95 3.99 3.20 -1.14 0.22 116.97 123.86 2pns h TYR 74 Ca 0.29 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2pns h TYR 74 Cb -0.02 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 2pns h TYR 74 CO 0.01 0.36 0.59 0.82 -1.64 0.00 0.00 178.16 178.30 2pns h ILE 75 N 0.44 1.25 0.08 1.81 2.04 -1.14 0.14 117.51 122.13 2pns h ILE 75 Ca 0.12 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2pns h ILE 75 Cb 0.04 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 2pns h ILE 75 CO -0.02 0.26 -0.04 0.40 0.00 0.00 0.00 178.15 178.75 2pns h ILE 76 N 1.30 1.14 -0.79 -0.67 2.04 -1.00 -1.62 117.51 117.90 2pns h ILE 76 Ca 0.34 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2pns h ILE 76 Cb -0.09 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2pns h ILE 76 CO -0.07 0.21 0.50 0.44 0.00 0.00 0.00 178.15 179.24 2pns h ASP 77 N -0.51 0.83 0.96 1.72 3.32 -0.36 -2.06 116.42 120.31 2pns h ASP 77 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pns h ASP 77 Cb 0.43 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2pns h ASP 77 CO 0.02 0.57 0.00 -1.13 -1.72 0.00 0.00 179.24 176.98 2pns h ASN 78 N 0.98 0.00 0.00 6.45 -0.73 -0.75 -3.47 115.58 118.06 2pns h ASN 78 Ca 0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.49 2pns h ASN 78 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2pns h ASN 78 CO -0.12 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.55 2pns n GLY 79 N 0.03 0.58 0.00 1.57 0.00 -0.78 -4.97 105.19 101.62 2pns n GLY 79 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2pns n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pns n GLY 80 N -2.76 2.20 3.13 -0.02 0.00 -0.66 -4.77 105.19 102.32 2pns n GLY 80 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 2pns n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pns s ILE 81 N -1.69 0.87 0.70 -0.61 2.07 -0.23 -4.85 121.20 117.45 2pns s ILE 81 Ca 0.00 -1.32 -0.03 0.00 -1.41 0.00 0.00 60.65 57.90 2pns s ILE 81 Cb 0.00 -0.99 0.10 0.00 0.13 0.00 0.00 42.46 41.70 2pns s ILE 81 CO 0.00 -0.37 0.98 -0.62 -1.91 0.00 0.00 174.94 173.02 2pns s ASP 82 N -1.87 4.53 0.52 4.50 -1.08 -1.11 -1.51 116.67 120.64 2pns s ASP 82 Ca -0.03 -0.10 -0.06 0.00 -0.52 0.00 0.00 52.55 51.84 2pns s ASP 82 Cb -0.08 -0.41 -0.03 0.00 -1.46 0.00 0.00 42.92 40.94 2pns s ASP 82 CO 0.01 -1.73 0.84 0.42 0.52 0.00 0.00 175.17 175.23 2pns s THR 83 N -3.14 4.76 0.28 1.71 -4.23 -1.26 -1.29 115.64 112.46 2pns s THR 83 Ca 0.64 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 2pns s THR 83 Cb -0.07 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 70.19 2pns s THR 83 CO 0.44 -0.87 1.94 -0.08 -0.54 0.00 0.00 174.62 175.51 2pns h GLU 84 N 0.09 1.14 -0.59 3.99 4.57 -1.14 -1.31 114.58 121.33 2pns h GLU 84 Ca -0.46 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.53 2pns h GLU 84 Cb 1.21 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2pns h GLU 84 CO 0.62 0.78 -0.00 0.00 -1.18 0.00 0.00 179.01 179.22 2pns h ALA 85 N 1.42 0.87 0.01 2.92 0.00 -1.93 -2.30 119.26 120.25 2pns h ALA 85 Ca 0.31 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2pns h ALA 85 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2pns h ALA 85 CO -0.06 0.66 -0.89 -0.91 0.00 0.00 0.00 179.25 178.05 2pns h ASN 86 N 0.95 0.06 -2.38 0.00 -0.26 -1.86 -3.38 115.58 108.71 2pns h ASN 86 Ca 0.17 -0.05 -0.59 0.00 -0.56 0.00 0.00 56.30 55.27 2pns h ASN 86 Cb 0.55 -0.02 -0.39 0.00 -1.06 0.00 0.00 38.32 37.41 2pns h ASN 86 CO 0.03 0.91 -0.93 0.00 -1.06 0.00 0.00 177.43 176.39 2pns n TYR 87 N -3.53 -0.02 -1.42 1.19 -0.00 -0.53 -4.99 117.16 107.86 2pns n TYR 87 Ca -0.01 -3.54 -0.35 0.00 -0.00 0.00 0.00 57.90 54.01 2pns n TYR 87 Cb 0.83 -0.02 0.10 0.00 -0.00 0.00 0.00 39.34 40.25 2pns n TYR 87 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2pns s PRO 88 N -0.52 2.10 -0.03 2.98 0.04 -0.87 -4.50 135.00 134.19 2pns s PRO 88 Ca 0.33 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 62.90 2pns s PRO 88 Cb 0.06 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2pns s PRO 88 CO -0.17 -1.88 0.89 -0.47 0.04 0.00 0.00 177.00 175.41 2pns s TYR 89 N -1.92 3.62 -0.24 0.56 6.14 -1.26 -4.73 117.35 119.52 2pns s TYR 89 Ca 0.75 1.54 0.09 0.00 0.64 0.00 0.00 57.07 60.10 2pns s TYR 89 Cb -0.30 -3.02 -0.12 0.00 0.42 0.00 0.00 41.96 38.94 2pns s TYR 89 CO 0.45 0.00 0.30 1.63 0.64 0.00 0.00 175.55 178.57 2pns n LYS 90 N 3.96 2.40 -1.46 4.97 4.76 -1.26 -5.00 118.16 126.52 2pns n LYS 90 Ca 0.04 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2pns n LYS 90 Cb 0.51 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.61 2pns n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pns n ALA 91 N -1.48 -0.19 -3.29 7.82 0.00 -1.26 -4.99 120.51 117.13 2pns n ALA 91 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 2pns n ALA 91 Cb 0.18 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 2pns n ALA 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2pns s VAL 92 N -2.42 0.02 0.17 0.00 -7.23 -1.26 -4.51 120.40 105.17 2pns s VAL 92 Ca 0.00 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 2pns s VAL 92 Cb 0.00 -0.60 -0.07 0.00 0.56 0.00 0.00 36.38 36.27 2pns s VAL 92 CO 0.00 -0.08 0.99 -1.58 -0.31 0.00 0.00 175.10 174.12 2pns s GLN 93 N -0.35 4.72 0.16 4.82 0.74 -1.26 -4.97 119.66 123.53 2pns s GLN 93 Ca -0.05 1.54 0.03 0.00 0.05 0.00 0.00 55.36 56.93 2pns s GLN 93 Cb -0.03 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 2pns s GLN 93 CO 0.02 0.28 0.11 0.41 -0.55 0.00 0.00 175.29 175.56 2pns n GLY 94 N 1.92 3.58 3.77 2.59 0.00 -1.26 -5.07 105.19 110.72 2pns n GLY 94 Ca 0.01 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2pns n GLY 94 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pns s PRO 95 N -2.65 4.16 -0.12 1.61 0.02 -1.26 -4.63 135.00 132.12 2pns s PRO 95 Ca 0.15 2.51 -0.29 0.00 0.02 0.00 0.00 61.00 63.39 2pns s PRO 95 Cb 0.01 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 2pns s PRO 95 CO 0.11 -0.51 1.67 0.00 -0.33 0.00 0.00 177.00 177.94 2pns s ARG 97 N 4.39 3.53 0.27 0.00 0.52 -1.26 -5.02 118.95 121.39 2pns s ARG 97 Ca 0.74 -0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.52 2pns s ARG 97 Cb -0.30 -2.59 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 2pns s ARG 97 CO 0.30 0.08 1.25 0.00 0.02 0.00 0.00 175.30 176.94 2pns s ALA 98 N -2.36 3.48 0.06 2.13 0.00 -1.26 -5.01 121.76 118.79 2pns s ALA 98 Ca 0.43 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.50 2pns s ALA 98 Cb -0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2pns s ALA 98 CO 0.37 -0.47 -0.06 0.00 0.00 0.00 0.00 175.76 175.60 2pns s ALA 99 N -0.76 0.63 0.36 0.00 0.00 -1.26 -5.10 121.76 115.63 2pns s ALA 99 Ca 0.50 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 2pns s ALA 99 Cb -0.36 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 2pns s ALA 99 CO 0.45 -0.16 0.90 0.15 0.00 0.00 0.00 175.76 177.10 2pns s LYS 100 N -2.60 4.32 -1.01 0.00 1.02 -1.26 -4.95 119.74 115.27 2pns s LYS 100 Ca -0.02 1.10 -0.14 0.00 0.02 0.00 0.00 55.97 56.94 2pns s LYS 100 Cb -0.03 -2.49 0.21 0.00 -0.52 0.00 0.00 37.83 35.00 2pns s LYS 100 CO -0.03 0.14 1.07 0.15 -0.92 0.00 0.00 175.35 175.77 2pns s LYS 101 N -2.65 3.87 -0.11 1.68 1.02 -1.26 -2.75 119.74 119.53 2pns s LYS 101 Ca 0.55 -2.55 -0.26 0.00 0.02 0.00 0.00 55.97 53.73 2pns s LYS 101 Cb -0.13 -4.69 -0.27 0.00 -0.52 0.00 0.00 37.83 32.21 2pns s LYS 101 CO 0.18 -1.47 0.77 0.28 -0.92 0.00 0.00 175.35 174.19 2pns h VAL 102 N 4.66 1.63 -4.39 3.17 2.07 -1.61 -3.45 116.25 118.33 2pns h VAL 102 Ca 0.18 -2.40 -0.69 0.00 0.82 0.00 0.00 66.70 64.61 2pns h VAL 102 Cb 0.96 3.25 -0.30 0.00 -1.52 0.00 0.00 31.29 33.67 2pns h VAL 102 CO 1.00 0.63 -0.89 -0.69 0.02 0.00 0.00 177.57 177.64 2pns s VAL 103 N -2.30 2.02 0.16 2.57 1.01 -0.93 -4.95 120.40 117.98 2pns s VAL 103 Ca -0.18 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 60.80 2pns s VAL 103 Cb -0.01 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2pns s VAL 103 CO 0.73 0.57 -0.17 -0.13 0.00 0.00 0.00 175.10 176.10 2pns s ARG 104 N -0.44 1.24 0.25 2.72 0.52 -1.26 -1.07 118.95 120.91 2pns s ARG 104 Ca 0.05 -1.40 0.05 0.00 -0.52 0.00 0.00 55.73 53.92 2pns s ARG 104 Cb -0.11 -1.24 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 2pns s ARG 104 CO 0.01 0.24 -0.04 0.96 0.02 0.00 0.00 175.30 176.49 2pns s ILE 105 N -2.15 1.36 -0.02 1.52 -4.36 -1.26 -4.98 121.20 111.30 2pns s ILE 105 Ca 0.15 -2.08 0.14 0.00 -0.26 0.00 0.00 60.65 58.60 2pns s ILE 105 Cb -0.05 -2.36 -0.21 0.00 1.25 0.00 0.00 42.46 41.09 2pns s ILE 105 CO 0.06 -0.34 0.30 0.47 0.24 0.00 0.00 174.94 175.67 2pns n ASP 106 N -0.49 1.83 -0.40 4.36 8.00 -0.09 -4.77 116.55 125.00 2pns n ASP 106 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2pns n ASP 106 Cb 0.63 1.62 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 2pns n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pns n GLY 107 N 1.72 0.89 3.41 0.44 0.00 -1.10 -4.99 105.19 105.56 2pns n GLY 107 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 2pns n GLY 107 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pns s TYR 108 N -2.51 -0.46 0.04 1.61 -0.85 -1.26 -0.85 117.35 113.07 2pns s TYR 108 Ca 0.00 0.52 0.02 0.00 -0.52 0.00 0.00 57.07 57.08 2pns s TYR 108 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2pns s TYR 108 CO 0.00 -0.67 -0.07 0.15 -1.52 0.00 0.00 175.55 173.44 2pns s LYS 109 N -2.50 0.50 0.20 -3.49 1.02 0.17 -4.90 119.74 110.74 2pns s LYS 109 Ca -0.05 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2pns s LYS 109 Cb -0.01 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 2pns s LYS 109 CO -0.02 0.04 0.40 0.20 -0.92 0.00 0.00 175.35 175.04 2pns s GLY 110 N -1.52 1.87 -0.02 -3.33 0.00 -1.26 -1.27 107.32 101.79 2pns s GLY 110 Ca -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 2pns s GLY 110 CO 0.00 -0.71 0.10 0.14 0.00 0.00 0.00 173.10 172.63 2pns s VAL 111 N -1.85 4.94 0.25 1.40 1.01 -0.33 -4.96 120.40 120.87 2pns s VAL 111 Ca 0.39 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2pns s VAL 111 Cb -0.11 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 2pns s VAL 111 CO 0.28 0.40 1.16 -2.65 0.00 0.00 0.00 175.10 174.29 2pns n PRO 112 N 1.30 1.53 -2.33 2.72 -0.02 -1.26 -4.52 135.00 132.42 2pns n PRO 112 Ca -0.14 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 2pns n PRO 112 Cb 0.53 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2pns n PRO 112 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pns s HIS 113 N -0.63 3.30 -1.32 6.00 3.76 -1.26 -3.85 115.29 121.28 2pns s HIS 113 Ca 0.64 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 57.10 2pns s HIS 113 Cb -0.72 -3.42 -0.00 0.00 1.11 0.00 0.00 32.58 29.55 2pns s HIS 113 CO 0.56 -1.12 0.58 0.00 -0.85 0.00 0.00 174.74 173.91 2pns s ASN 115 N -4.22 1.62 0.62 0.00 3.84 -1.25 -4.60 114.94 110.95 2pns s ASN 115 Ca 0.08 -2.42 0.40 0.00 0.21 0.00 0.00 52.86 51.13 2pns s ASN 115 Cb -0.03 -0.05 2.06 0.00 -0.55 0.00 0.00 41.25 42.68 2pns s ASN 115 CO 0.86 -0.22 2.25 -0.33 -2.79 0.00 0.00 177.10 176.87 2pns h GLU 116 N 6.28 0.00 -0.03 0.43 5.08 -1.90 -1.47 114.58 122.96 2pns h GLU 116 Ca 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 2pns h GLU 116 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2pns h GLU 116 CO 0.28 0.01 -0.80 -0.91 -1.00 0.00 0.00 179.01 176.58 2pns h ASN 117 N 0.00 0.38 0.44 1.42 2.35 -1.97 0.58 115.58 118.78 2pns h ASN 117 Ca -0.00 -0.27 -0.17 0.00 -0.55 0.00 0.00 56.30 55.30 2pns h ASN 117 Cb 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2pns h ASN 117 CO 0.00 1.03 -0.74 0.00 -1.65 0.00 0.00 177.43 176.08 2pns h ALA 118 N 0.95 0.67 -0.46 -0.83 0.00 -1.68 -2.45 119.26 115.46 2pns h ALA 118 Ca -0.04 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2pns h ALA 118 Cb 1.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2pns h ALA 118 CO 0.13 0.81 -0.24 1.25 0.00 0.00 0.00 179.25 181.20 2pns h LEU 119 N 0.16 1.01 -0.85 0.00 5.85 -1.15 -1.89 115.31 118.44 2pns h LEU 119 Ca -0.03 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2pns h LEU 119 Cb 1.30 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2pns h LEU 119 CO 0.11 1.20 0.56 0.50 -0.34 0.00 0.00 178.44 180.47 2pns h LYS 120 N 0.82 1.12 -0.82 1.25 3.64 -0.80 -0.63 116.57 121.16 2pns h LYS 120 Ca 0.10 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2pns h LYS 120 Cb 0.83 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 2pns h LYS 120 CO 0.07 0.75 0.35 -0.22 -2.27 0.00 0.00 179.45 178.13 2pns h LYS 121 N 1.15 1.21 -0.16 1.90 3.64 -1.17 -1.46 116.57 121.69 2pns h LYS 121 Ca 0.31 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2pns h LYS 121 Cb -0.13 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.49 2pns h LYS 121 CO -0.07 0.96 -0.08 0.00 -2.27 0.00 0.00 179.45 177.98 2pns h ALA 122 N 1.19 0.22 -0.02 5.00 0.00 -0.81 -3.07 119.26 121.77 2pns h ALA 122 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pns h ALA 122 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pns h ALA 122 CO -0.03 0.04 -0.06 0.28 0.00 0.00 0.00 179.25 179.48 2pns h VAL 123 N -0.00 1.05 0.00 0.00 2.07 -0.97 0.46 116.25 118.86 2pns h VAL 123 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2pns h VAL 123 Cb 0.57 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2pns h VAL 123 CO 0.02 0.07 -0.08 0.00 0.02 0.00 0.00 177.57 177.61 2pns h ALA 124 N 1.92 1.15 0.07 1.67 0.00 -1.17 -3.02 119.26 119.89 2pns h ALA 124 Ca 0.01 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 2pns h ALA 124 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2pns h ALA 124 CO 0.01 0.09 -2.11 0.43 0.00 0.00 0.00 179.25 177.68 2pns n SER 125 N -3.40 1.82 -3.59 0.00 7.64 0.06 -5.04 113.62 111.11 2pns n SER 125 Ca -0.01 0.14 -0.06 0.00 1.01 0.00 0.00 58.87 59.94 2pns n SER 125 Cb 0.23 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.84 2pns n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pns s GLN 126 N -2.55 0.39 0.35 1.43 0.00 -0.63 -5.09 119.66 113.56 2pns s GLN 126 Ca -0.23 -0.01 -0.27 0.00 -0.00 0.00 0.00 55.36 54.85 2pns s GLN 126 Cb 0.07 0.18 -0.12 0.00 0.00 0.00 0.00 33.01 33.15 2pns s GLN 126 CO 0.74 -0.14 1.22 -2.30 0.00 0.00 0.00 175.29 174.81 2pns n PRO 127 N 0.34 1.92 -4.24 9.60 -0.02 -1.26 -4.00 135.00 137.33 2pns n PRO 127 Ca -0.04 0.67 -0.22 0.00 -2.02 0.00 0.00 63.50 61.90 2pns n PRO 127 Cb 0.59 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 2pns n PRO 127 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2pns s SER 128 N -0.42 2.16 0.27 2.55 0.01 -1.04 -4.77 113.70 112.46 2pns s SER 128 Ca 0.57 -0.65 -0.14 0.00 1.31 0.00 0.00 55.95 57.05 2pns s SER 128 Cb -0.58 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.47 2pns s SER 128 CO 0.61 0.00 0.66 0.68 0.41 0.00 0.00 173.24 175.60 2pns s VAL 129 N -1.20 4.76 0.07 3.43 -7.23 0.09 -1.16 120.40 119.15 2pns s VAL 129 Ca 0.03 0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 60.92 2pns s VAL 129 Cb -0.10 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2pns s VAL 129 CO 0.03 -0.07 0.24 0.68 -0.31 0.00 0.00 175.10 175.68 2pns s VAL 130 N -1.84 0.11 0.01 1.32 -7.23 -0.71 -1.63 120.40 110.43 2pns s VAL 130 Ca 0.49 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 2pns s VAL 130 Cb -0.12 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 2pns s VAL 130 CO 0.19 -0.50 -0.09 0.00 -0.31 0.00 0.00 175.10 174.39 2pns s ALA 131 N -3.15 2.93 0.26 1.32 0.00 -1.25 -1.32 121.76 120.55 2pns s ALA 131 Ca -0.01 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.91 2pns s ALA 131 Cb 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2pns s ALA 131 CO -0.07 0.61 0.15 0.96 0.00 0.00 0.00 175.76 177.40 2pns s ILE 132 N -0.98 0.21 -0.45 0.00 -4.36 0.30 -4.08 121.20 111.83 2pns s ILE 132 Ca 0.17 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.40 2pns s ILE 132 Cb -0.11 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.11 2pns s ILE 132 CO 0.07 0.00 0.39 -0.62 0.24 0.00 0.00 174.94 175.02 2pns s ASP 133 N -3.28 6.15 -0.24 4.36 -1.08 -0.08 -1.58 116.67 120.92 2pns s ASP 133 Ca 0.38 -1.06 0.13 0.00 -0.52 0.00 0.00 52.55 51.48 2pns s ASP 133 Cb 0.06 -2.19 0.56 0.00 -1.46 0.00 0.00 42.92 39.88 2pns s ASP 133 CO 0.16 -0.60 1.50 0.00 0.52 0.00 0.00 175.17 176.75 2pns n ALA 134 N 5.34 3.73 0.39 3.66 0.00 -1.26 -4.66 120.51 127.70 2pns n ALA 134 Ca -0.11 -2.61 0.13 0.00 0.00 0.00 0.00 53.44 50.85 2pns n ALA 134 Cb 0.45 -0.82 0.36 0.00 0.00 0.00 0.00 19.45 19.44 2pns n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pns h SER 135 N 1.61 0.00 -3.98 0.00 4.64 -1.91 -3.41 113.55 110.50 2pns h SER 135 Ca 0.13 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.96 2pns h SER 135 Cb 1.68 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.82 2pns h SER 135 CO 0.38 0.00 0.46 -0.94 -0.87 0.00 0.00 176.83 175.85 2pns s SER 136 N -5.34 6.47 0.39 4.97 1.04 -1.26 -4.93 113.70 115.05 2pns s SER 136 Ca 0.07 2.20 0.13 0.00 0.48 0.00 0.00 55.95 58.83 2pns s SER 136 Cb 0.09 -2.60 0.81 0.00 0.10 0.00 0.00 66.02 64.42 2pns s SER 136 CO 0.60 -0.70 1.88 0.11 0.98 0.00 0.00 173.24 176.10 2pns h LYS 137 N 2.32 0.01 -0.55 4.02 6.56 -1.91 -2.21 116.57 124.81 2pns h LYS 137 Ca -0.49 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.02 2pns h LYS 137 Cb 1.23 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2pns h LYS 137 CO 0.61 0.31 0.04 1.96 -2.06 0.00 0.00 179.45 180.31 2pns h GLN 138 N 0.01 0.91 -0.06 3.15 7.50 -1.91 -0.94 115.11 123.76 2pns h GLN 138 Ca -0.00 -0.25 -0.07 0.00 0.50 0.00 0.00 58.65 58.84 2pns h GLN 138 Cb 0.55 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2pns h GLN 138 CO 0.04 0.88 -0.22 0.35 -1.50 0.00 0.00 178.83 178.39 2pns h PHE 139 N 0.85 0.34 0.00 2.96 3.57 -1.75 -2.74 116.94 120.16 2pns h PHE 139 Ca 0.17 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2pns h PHE 139 Cb 0.45 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2pns h PHE 139 CO 0.03 0.84 -0.01 1.96 -2.23 0.00 0.00 178.31 178.89 2pns h GLN 140 N -0.26 0.00 -0.52 1.11 4.20 -1.28 -2.13 115.11 116.23 2pns h GLN 140 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2pns h GLN 140 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2pns h GLN 140 CO 0.05 0.01 0.00 0.72 -0.67 0.00 0.00 178.83 178.94 2pns n HIS 141 N -4.38 1.22 -1.73 2.96 8.25 -0.37 -4.98 115.22 116.19 2pns n HIS 141 Ca -0.03 -0.64 -0.42 0.00 -0.26 0.00 0.00 57.72 56.37 2pns n HIS 141 Cb 0.10 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 2pns n HIS 141 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2pns n TYR 142 N 0.70 2.61 0.00 4.41 9.36 -0.80 -4.92 117.16 128.52 2pns n TYR 142 Ca 0.23 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.94 2pns n TYR 142 Cb 0.82 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 2pns n TYR 142 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2pns n LYS 143 N 0.61 0.00 -3.73 2.98 5.02 -1.26 -2.59 118.16 119.19 2pns n LYS 143 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 2pns n LYS 143 Cb 0.37 -0.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.73 2pns n LYS 143 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pns s SER 144 N -4.14 -0.25 0.00 4.39 1.04 -1.26 -3.17 113.70 110.30 2pns s SER 144 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2pns s SER 144 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2pns s SER 144 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2pns n GLY 145 N -0.43 -3.37 3.43 7.32 0.00 -1.26 -4.81 105.19 106.06 2pns n GLY 145 Ca -0.07 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 2pns n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pns s ILE 146 N -0.79 4.76 0.19 -0.61 1.01 -1.26 -4.25 121.20 120.25 2pns s ILE 146 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 2pns s ILE 146 Cb 0.00 -4.43 -0.11 0.00 0.01 0.00 0.00 42.46 37.93 2pns s ILE 146 CO 0.00 -1.02 1.68 0.12 0.00 0.00 0.00 174.94 175.72 2pns s PHE 147 N 2.91 2.93 -0.06 3.97 5.36 0.38 -4.80 117.98 128.67 2pns s PHE 147 Ca 0.16 0.42 0.09 0.00 -0.96 0.00 0.00 56.93 56.64 2pns s PHE 147 Cb -0.20 -4.07 0.14 0.00 -0.34 0.00 0.00 43.02 38.54 2pns s PHE 147 CO 0.10 -4.04 1.04 -1.13 -1.46 0.00 0.00 175.22 169.73 2pns n SER 148 N 4.05 1.30 0.00 6.13 3.41 -1.26 -1.69 113.62 125.56 2pns n SER 148 Ca 0.15 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2pns n SER 148 Cb 0.36 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2pns n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pns n GLY 149 N -0.73 -0.74 3.90 5.00 0.00 -1.26 -4.94 105.19 106.41 2pns n GLY 149 Ca 0.08 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 2pns n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pns s PRO 150 N -0.70 3.58 -0.24 1.61 0.04 -1.26 -4.96 135.00 133.07 2pns s PRO 150 Ca 0.00 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 2pns s PRO 150 Cb 0.00 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 32.39 2pns s PRO 150 CO 0.00 -0.26 1.24 0.00 0.04 0.00 0.00 177.00 178.02 2pns n GLY 152 N 0.57 0.46 0.27 0.00 0.00 -1.26 -4.51 105.19 100.72 2pns n GLY 152 Ca -0.03 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.22 2pns n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pns n THR 153 N -0.59 2.01 -2.84 2.61 -2.24 -1.26 -3.81 114.28 108.16 2pns n THR 153 Ca 0.00 -2.50 -0.43 0.00 -2.27 0.00 0.00 64.05 58.86 2pns n THR 153 Cb 0.00 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2pns n THR 153 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2pns s LYS 154 N -2.97 3.75 -0.06 -0.78 1.02 -1.26 -4.82 119.74 114.61 2pns s LYS 154 Ca 0.34 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 2pns s LYS 154 Cb 0.31 -3.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2pns s LYS 154 CO 0.01 -0.99 1.39 -0.51 -0.92 0.00 0.00 175.35 174.33 2pns s LEU 155 N 3.47 4.28 0.00 3.17 1.43 -1.26 -3.74 118.68 126.02 2pns s LEU 155 Ca 0.36 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 2pns s LEU 155 Cb -0.12 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2pns s LEU 155 CO 0.20 -0.76 0.16 -0.46 0.23 0.00 0.00 176.35 175.72 2pns n ASN 156 N 6.05 0.00 -3.76 2.29 0.23 -0.62 -4.96 115.26 114.49 2pns n ASN 156 Ca 0.14 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.06 2pns n ASN 156 Cb 0.44 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.03 2pns n ASN 156 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2pns s HIS 157 N 0.00 -0.35 -0.11 -2.53 5.04 -0.78 -4.90 115.29 111.66 2pns s HIS 157 Ca 0.00 0.84 -0.03 0.00 -1.54 0.00 0.00 55.06 54.32 2pns s HIS 157 Cb 0.00 0.12 -0.03 0.00 0.04 0.00 0.00 32.58 32.70 2pns s HIS 157 CO 0.00 -0.18 0.01 0.20 -2.34 0.00 0.00 174.74 172.44 2pns s GLY 158 N 0.32 1.86 0.25 1.59 0.00 -1.26 -0.54 107.32 109.54 2pns s GLY 158 Ca -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2pns s GLY 158 CO -0.01 -0.37 0.26 3.33 0.00 0.00 0.00 173.10 176.31 2pns n VAL 159 N 2.59 0.00 -4.62 1.40 0.24 -0.43 -4.74 118.33 112.77 2pns n VAL 159 Ca -0.18 -1.64 -0.23 0.00 -2.04 0.00 0.00 64.34 60.25 2pns n VAL 159 Cb 0.53 0.87 -0.16 0.00 -1.47 0.00 0.00 33.84 33.62 2pns n VAL 159 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2pns s VAL 160 N -2.90 1.11 -0.31 3.34 1.01 -0.91 -1.74 120.40 120.00 2pns s VAL 160 Ca 0.27 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2pns s VAL 160 Cb 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2pns s VAL 160 CO 0.19 0.33 0.49 -0.63 0.00 0.00 0.00 175.10 175.48 2pns s ILE 161 N 0.11 5.06 -1.97 2.22 1.01 -0.31 0.43 121.20 127.75 2pns s ILE 161 Ca -0.03 0.54 0.18 0.00 0.00 0.00 0.00 60.65 61.34 2pns s ILE 161 Cb -0.10 -3.88 0.33 0.00 0.01 0.00 0.00 42.46 38.82 2pns s ILE 161 CO 0.01 -0.06 1.26 1.33 0.00 0.00 0.00 174.94 177.48 2pns n VAL 162 N 5.30 0.49 -0.30 2.92 0.24 -0.33 -2.50 118.33 124.15 2pns n VAL 162 Ca -0.05 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 2pns n VAL 162 Cb 0.49 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 2pns n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pns n GLY 163 N 1.14 -2.16 3.33 7.63 0.00 -1.21 -1.30 105.19 112.61 2pns n GLY 163 Ca 0.15 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2pns n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pns s TYR 164 N -2.08 -0.39 -0.22 1.61 -0.85 -0.19 -0.47 117.35 114.76 2pns s TYR 164 Ca 0.00 0.80 -0.20 0.00 -0.52 0.00 0.00 57.07 57.15 2pns s TYR 164 Cb 0.00 0.18 0.06 0.00 0.38 0.00 0.00 41.96 42.58 2pns s TYR 164 CO 0.00 -0.36 0.58 -0.46 -1.52 0.00 0.00 175.55 173.79 2pns s TRP 165 N -0.65 -0.66 0.00 -3.49 -0.00 -0.92 -0.97 118.94 112.25 2pns s TRP 165 Ca -0.07 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.60 2pns s TRP 165 Cb -0.03 0.24 0.00 0.00 -0.00 0.00 0.00 33.47 33.67 2pns s TRP 165 CO 0.04 -0.32 0.00 1.63 -0.00 0.00 0.00 176.95 178.30 2pns n LYS 166 N 2.89 0.00 -0.60 5.86 5.02 -1.26 -1.76 118.16 128.30 2pns n LYS 166 Ca -0.14 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.17 2pns n LYS 166 Cb 0.56 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.77 2pns n LYS 166 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2pns n ASP 167 N 9.37 2.49 -4.11 4.39 5.75 -1.26 -5.04 116.55 128.13 2pns n ASP 167 Ca 0.00 -3.60 -0.12 0.00 -0.01 0.00 0.00 54.79 51.06 2pns n ASP 167 Cb 0.00 -0.57 -0.09 0.00 -1.03 0.00 0.00 41.12 39.43 2pns n ASP 167 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2pns s TYR 168 N -3.13 0.99 -0.02 2.11 1.13 -0.72 -1.33 117.35 116.37 2pns s TYR 168 Ca 0.41 -1.23 -0.01 0.00 -1.41 0.00 0.00 57.07 54.83 2pns s TYR 168 Cb 0.37 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 2pns s TYR 168 CO -0.00 -0.74 0.06 -1.58 -2.51 0.00 0.00 175.55 170.78 2pns s TRP 169 N -4.09 3.26 -0.34 -3.49 0.52 0.11 -2.18 118.94 112.73 2pns s TRP 169 Ca 0.35 0.21 -0.13 0.00 0.02 0.00 0.00 56.10 56.55 2pns s TRP 169 Cb 0.05 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 2pns s TRP 169 CO 0.12 0.54 0.23 0.42 0.02 0.00 0.00 176.95 178.28 2pns s ILE 170 N -1.13 5.21 -0.15 2.03 1.01 0.38 -1.33 121.20 127.23 2pns s ILE 170 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2pns s ILE 170 Cb -0.12 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2pns s ILE 170 CO 0.11 -0.01 -0.10 -0.69 0.00 0.00 0.00 174.94 174.24 2pns s VAL 171 N 1.71 3.20 -0.25 2.92 1.01 -0.06 -1.18 120.40 127.75 2pns s VAL 171 Ca 0.06 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2pns s VAL 171 Cb -0.17 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2pns s VAL 171 CO 0.10 0.50 0.48 -0.60 0.00 0.00 0.00 175.10 175.58 2pns s ARG 172 N 0.56 4.08 0.45 2.72 3.52 0.17 -1.11 118.95 129.33 2pns s ARG 172 Ca -0.07 0.27 0.08 0.00 -0.13 0.00 0.00 55.73 55.88 2pns s ARG 172 Cb -0.15 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 2pns s ARG 172 CO 0.03 -0.28 0.51 1.21 -0.81 0.00 0.00 175.30 175.96 2pns s ASN 173 N 1.47 5.27 -0.33 -2.12 3.84 -0.88 -2.15 114.94 120.04 2pns s ASN 173 Ca 0.20 -0.66 0.07 0.00 0.21 0.00 0.00 52.86 52.68 2pns s ASN 173 Cb -0.16 -0.43 0.45 0.00 -0.55 0.00 0.00 41.25 40.57 2pns s ASN 173 CO 0.09 -0.81 1.17 -1.54 -2.79 0.00 0.00 177.10 173.21 2pns n SER 174 N -1.77 4.76 -0.93 -4.21 3.41 -1.26 -4.65 113.62 108.96 2pns n SER 174 Ca 0.07 -3.69 0.03 0.00 -0.26 0.00 0.00 58.87 55.02 2pns n SER 174 Cb 0.61 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 64.41 2pns n SER 174 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2pns n TRP 175 N -0.65 0.92 0.00 7.33 8.01 -1.24 -0.82 117.44 131.00 2pns n TRP 175 Ca 0.41 -1.20 0.00 0.00 -1.31 0.00 0.00 57.50 55.41 2pns n TRP 175 Cb 0.89 -0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 2pns n TRP 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2pns n GLY 176 N -0.86 -1.11 0.06 6.99 0.00 -0.73 -4.48 105.19 105.05 2pns n GLY 176 Ca 0.26 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2pns n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pns n ARG 177 N -1.18 0.14 -0.12 1.61 1.74 -1.26 -3.70 116.66 113.88 2pns n ARG 177 Ca 0.00 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 2pns n ARG 177 Cb 0.00 -1.66 0.16 0.00 -1.02 0.00 0.00 32.46 29.93 2pns n ARG 177 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2pns n TYR 178 N -1.91 0.33 -4.85 -1.55 4.01 -1.26 -3.35 117.16 108.57 2pns n TYR 178 Ca 0.06 -0.16 -0.33 0.00 -0.16 0.00 0.00 57.90 57.31 2pns n TYR 178 Cb 0.39 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.29 2pns n TYR 178 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 2pns s TRP 179 N -1.67 2.74 0.00 -0.72 -0.00 -1.24 -4.98 118.94 113.06 2pns s TRP 179 Ca 0.19 -0.26 0.00 0.00 -0.00 0.00 0.00 56.10 56.03 2pns s TRP 179 Cb 0.10 -1.68 0.00 0.00 -0.00 0.00 0.00 33.47 31.89 2pns s TRP 179 CO 0.14 0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.60 2pns n GLY 180 N 2.59 1.20 3.50 5.86 0.00 -1.07 -0.47 105.19 116.80 2pns n GLY 180 Ca -0.17 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 2pns n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pns s GLU 181 N 0.00 3.99 -1.48 1.61 2.02 -0.03 -4.31 118.70 120.50 2pns s GLU 181 Ca 0.00 -2.26 -0.12 0.00 0.02 0.00 0.00 54.97 52.61 2pns s GLU 181 Cb 0.00 -5.21 0.06 0.00 0.10 0.00 0.00 34.13 29.09 2pns s GLU 181 CO 0.00 -1.94 1.02 1.04 0.02 0.00 0.00 175.26 175.40 2pns n GLN 182 N 6.71 -6.07 0.00 1.61 1.13 -1.24 -2.18 117.38 117.34 2pns n GLN 182 Ca 0.39 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 2pns n GLN 182 Cb 0.45 -5.57 0.00 0.00 0.11 0.00 0.00 30.24 25.23 2pns n GLN 182 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pns n GLY 183 N -1.76 0.07 3.72 1.08 0.00 0.38 -4.63 105.19 104.05 2pns n GLY 183 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2pns n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pns s TYR 184 N -2.00 2.66 -0.04 1.61 1.51 -0.93 -2.08 117.35 118.08 2pns s TYR 184 Ca 0.00 -0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 2pns s TYR 184 Cb 0.00 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2pns s TYR 184 CO 0.00 0.33 0.11 -1.50 -1.11 0.00 0.00 175.55 173.37 2pns s ILE 185 N -2.48 -0.02 -0.28 2.71 2.07 -0.27 -0.85 121.20 122.09 2pns s ILE 185 Ca 0.38 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.56 2pns s ILE 185 Cb -0.01 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 2pns s ILE 185 CO 0.22 0.03 0.33 -0.13 -1.91 0.00 0.00 174.94 173.48 2pns s ARG 186 N 0.53 3.98 -0.16 3.50 0.52 -1.26 -0.88 118.95 125.17 2pns s ARG 186 Ca -0.04 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2pns s ARG 186 Cb -0.06 -3.67 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 2pns s ARG 186 CO -0.02 -0.27 -0.10 -1.64 0.02 0.00 0.00 175.30 173.29 2pns s MET 187 N 1.99 3.37 0.44 3.54 -1.94 -0.44 -0.47 119.30 125.80 2pns s MET 187 Ca 0.13 -0.67 -0.26 0.00 -1.71 0.00 0.00 55.69 53.19 2pns s MET 187 Cb -0.16 -2.76 -0.09 0.00 2.01 0.00 0.00 34.83 33.83 2pns s MET 187 CO 0.10 0.06 1.39 1.17 -0.01 0.00 0.00 175.02 177.73 2pns n LYS 188 N 3.99 2.19 -3.05 2.03 4.81 -0.68 0.08 118.16 127.53 2pns n LYS 188 Ca -0.18 0.78 -0.43 0.00 -0.87 0.00 0.00 58.31 57.60 2pns n LYS 188 Cb 0.52 -2.56 -0.06 0.00 0.02 0.00 0.00 35.03 32.95 2pns n LYS 188 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2pns s ARG 189 N -2.35 3.27 0.00 1.64 0.52 -0.44 -4.46 118.95 117.13 2pns s ARG 189 Ca 0.60 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 55.48 2pns s ARG 189 Cb -0.47 -4.00 0.16 0.00 0.52 0.00 0.00 34.95 31.16 2pns s ARG 189 CO 0.58 -1.17 0.99 1.33 0.02 0.00 0.00 175.30 177.05 2pns n VAL 190 N 5.91 0.39 -3.45 3.52 0.24 -1.26 -4.94 118.33 118.73 2pns n VAL 190 Ca -0.02 -0.70 0.01 0.00 -2.04 0.00 0.00 64.34 61.59 2pns n VAL 190 Cb 0.47 0.93 -0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2pns n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pns n GLY 191 N 0.52 -1.99 7.00 7.63 0.00 -1.26 -4.90 105.19 112.20 2pns n GLY 191 Ca 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2pns n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pns n GLY 192 N -0.26 3.09 0.40 -0.02 0.00 -1.26 -1.04 105.19 106.09 2pns n GLY 192 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.77 2pns n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pns n GLY 194 N 0.89 -2.22 3.72 0.00 0.00 -0.21 -1.24 105.19 106.11 2pns n GLY 194 Ca 0.09 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2pns n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pns s LEU 195 N -3.58 4.37 -2.17 0.99 2.96 -1.26 -1.19 118.68 118.80 2pns s LEU 195 Ca 0.00 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 2pns s LEU 195 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2pns s LEU 195 CO 0.00 -0.88 0.00 0.00 -1.32 0.00 0.00 176.35 174.15 2pns n GLY 197 N -0.48 0.78 0.33 0.00 0.00 -0.34 -0.90 105.19 104.59 2pns n GLY 197 Ca -0.21 -0.67 0.17 0.00 0.00 0.00 0.00 46.02 45.31 2pns n GLY 197 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pns h ILE 198 N 0.00 0.45 -0.11 -0.61 2.10 -1.31 -1.58 117.51 116.46 2pns h ILE 198 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.78 2pns h ILE 198 Cb 0.64 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2pns h ILE 198 CO 0.23 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.30 2pns n ALA 199 N -2.31 2.50 -0.20 0.18 0.00 -0.38 -4.46 120.51 115.85 2pns n ALA 199 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 2pns n ALA 199 Cb 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.75 2pns n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pns h ARG 200 N 3.46 1.06 -1.83 0.00 3.08 -1.29 0.15 114.38 119.01 2pns h ARG 200 Ca 0.00 -0.36 -0.49 0.00 0.07 0.00 0.00 59.98 59.20 2pns h ARG 200 Cb 0.74 -0.08 -0.33 0.00 0.08 0.00 0.00 29.97 30.38 2pns h ARG 200 CO 0.00 1.06 -0.91 -0.11 -1.07 0.00 0.00 179.97 178.94 2pns n LEU 201 N -4.17 -0.89 -4.87 3.04 7.94 -1.26 -4.46 117.00 112.33 2pns n LEU 201 Ca 0.02 -4.19 -0.34 0.00 -1.11 0.00 0.00 56.01 50.39 2pns n LEU 201 Cb 0.37 0.64 -0.05 0.00 0.53 0.00 0.00 43.42 44.90 2pns n LEU 201 CO 0.45 1.95 0.09 -2.84 -1.11 0.00 0.00 177.39 175.93 2pns s PRO 202 N -0.19 3.76 0.05 1.96 0.02 -1.26 -3.93 135.00 135.41 2pns s PRO 202 Ca 0.33 0.17 -0.09 0.00 0.02 0.00 0.00 61.00 61.44 2pns s PRO 202 Cb 0.10 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2pns s PRO 202 CO -0.16 0.53 0.18 0.71 -0.33 0.00 0.00 177.00 177.93 2pns s TYR 203 N -1.46 0.10 -0.01 6.54 2.02 -0.65 -1.19 117.35 122.71 2pns s TYR 203 Ca 0.35 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.55 2pns s TYR 203 Cb -0.14 -0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 2pns s TYR 203 CO 0.19 -0.45 0.25 1.52 -1.57 0.00 0.00 175.55 175.50 2pns s TYR 204 N -2.88 -0.11 0.50 2.71 -0.85 -0.40 -0.73 117.35 115.59 2pns s TYR 204 Ca -0.03 0.14 -0.10 0.00 -0.52 0.00 0.00 57.07 56.57 2pns s TYR 204 Cb 0.00 0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 2pns s TYR 204 CO -0.06 -0.35 0.88 -1.25 -1.52 0.00 0.00 175.55 173.25 2pns s PRO 205 N -1.32 3.70 0.14 -3.49 0.04 -1.26 -0.65 135.00 132.15 2pns s PRO 205 Ca -0.14 0.55 0.10 0.00 0.04 0.00 0.00 61.00 61.55 2pns s PRO 205 Cb -0.06 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2pns s PRO 205 CO 0.03 -0.26 -0.23 0.95 0.04 0.00 0.00 177.00 177.53 2pns s THR 206 N -2.73 2.05 -0.17 1.26 -4.23 -0.03 -4.85 115.64 106.94 2pns s THR 206 Ca 0.52 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 2pns s THR 206 Cb -0.10 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.93 2pns s THR 206 CO 0.41 -0.06 0.43 -0.75 -0.54 0.00 0.00 174.62 174.11 2pns s LYS 207 N -2.25 0.42 0.00 3.99 2.20 -1.26 -0.91 119.74 121.94 2pns s LYS 207 Ca 0.13 0.79 0.17 0.00 -0.36 0.00 0.00 55.97 56.70 2pns s LYS 207 Cb -0.09 0.02 1.00 0.00 -1.51 0.00 0.00 37.83 37.24 2pns s LYS 207 CO 0.06 -0.15 1.40 0.00 -0.36 0.00 0.00 175.35 176.31