#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pns s PRO 2 N 0.00 3.28 0.36 3.23 0.02 -1.26 -4.89 135.00 135.74 2pns s PRO 2 Ca 0.00 2.24 0.15 0.00 0.02 0.00 0.00 61.00 63.41 2pns s PRO 2 Cb 0.00 -2.34 0.67 0.00 0.02 0.00 0.00 34.50 32.85 2pns s PRO 2 CO 0.00 -1.08 1.76 0.93 -0.33 0.00 0.00 177.00 178.28 2pns h GLU 3 N 1.65 0.00 -3.02 5.54 5.08 -2.00 -3.45 114.58 118.39 2pns h GLU 3 Ca -0.51 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 2pns h GLU 3 Cb 1.29 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.35 2pns h GLU 3 CO 0.58 0.42 -0.24 1.14 -1.00 0.00 0.00 179.01 179.91 2pns s GLN 4 N -3.84 0.72 -0.11 2.33 1.03 -1.26 -3.80 119.66 114.73 2pns s GLN 4 Ca -0.01 -0.22 -0.23 0.00 0.04 0.00 0.00 55.36 54.93 2pns s GLN 4 Cb 0.13 0.32 0.05 0.00 0.03 0.00 0.00 33.01 33.54 2pns s GLN 4 CO 0.71 -0.21 0.55 -1.50 -2.54 0.00 0.00 175.29 172.30 2pns s ILE 5 N -1.56 0.01 -0.24 3.63 2.07 -0.89 -4.98 121.20 119.24 2pns s ILE 5 Ca -0.12 -0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 58.98 2pns s ILE 5 Cb -0.04 -0.83 0.09 0.00 0.13 0.00 0.00 42.46 41.81 2pns s ILE 5 CO 0.03 -0.06 0.15 -0.62 -1.91 0.00 0.00 174.94 172.54 2pns s ASP 6 N -0.59 2.52 0.53 4.50 -1.08 -1.26 -0.90 116.67 120.40 2pns s ASP 6 Ca -0.07 -0.81 0.36 0.00 -0.52 0.00 0.00 52.55 51.51 2pns s ASP 6 Cb -0.03 -0.07 1.77 0.00 -1.46 0.00 0.00 42.92 43.13 2pns s ASP 6 CO 0.05 -0.38 2.08 -0.50 0.52 0.00 0.00 175.17 176.93 2pns h TRP 7 N 8.38 0.00 -0.25 -5.34 4.06 -1.51 -1.48 115.95 119.81 2pns h TRP 7 Ca -0.17 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.68 2pns h TRP 7 Cb 1.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 2pns h TRP 7 CO 0.22 0.00 -0.26 0.00 -3.56 0.00 0.00 178.44 174.83 2pns h ARG 8 N 0.00 0.48 -0.00 0.49 3.08 -1.93 -2.27 114.38 114.23 2pns h ARG 8 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2pns h ARG 8 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2pns h ARG 8 CO 0.00 0.70 -0.00 1.63 -1.07 0.00 0.00 179.97 181.23 2pns n LYS 9 N -4.11 0.69 -0.14 0.04 5.02 -0.56 -3.04 118.16 116.07 2pns n LYS 9 Ca -0.00 -0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 2pns n LYS 9 Cb 0.41 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.15 2.15 -1.09 1.97 5.02 -0.88 -4.98 118.16 119.20 2pns n LYS 10 Ca 0.19 -1.85 -0.03 0.00 -2.02 0.00 0.00 58.31 54.59 2pns n LYS 10 Cb 0.18 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.71 0.62 0.99 0.72 0.00 -1.17 -4.93 105.19 102.14 2pns n GLY 11 Ca 0.12 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 1.06 2.45 -3.43 4.61 0.00 -1.04 -4.82 120.51 119.34 2pns n ALA 12 Ca -0.03 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.32 2pns n ALA 12 Cb 0.14 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.69 1.34 0.74 0.00 1.01 -1.26 -3.90 120.40 116.65 2pns s VAL 13 Ca 0.35 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2pns s VAL 13 Cb 0.21 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.42 2pns s VAL 13 CO 0.31 0.40 1.10 0.42 0.00 0.00 0.00 175.10 177.32 2pns s THR 14 N 0.63 3.32 0.65 3.92 -4.23 -1.26 -4.96 115.64 113.72 2pns s THR 14 Ca -0.15 0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 2pns s THR 14 Cb -0.16 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 2pns s THR 14 CO 0.04 -0.56 1.04 -2.65 -0.54 0.00 0.00 174.62 171.95 2pns n PRO 15 N -3.18 0.80 -1.71 3.99 -0.02 -1.26 -4.90 135.00 128.73 2pns n PRO 15 Ca 0.07 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2pns n PRO 15 Cb 0.57 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.06 2.08 -4.16 -1.45 0.31 -1.26 -5.02 118.33 106.76 2pns n VAL 16 Ca 0.14 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.71 2pns n VAL 16 Cb 0.48 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 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 -1.95 2.23 -0.10 5.55 1.02 -1.26 -4.83 119.74 120.40 2pns s LYS 17 Ca 0.56 -1.96 -0.01 0.00 0.02 0.00 0.00 55.97 54.57 2pns s LYS 17 Cb -0.55 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2pns s LYS 17 CO 0.62 -0.27 -0.01 1.21 -0.92 0.00 0.00 175.35 175.98 2pns s ASN 18 N -3.99 1.96 0.24 2.83 3.84 -1.26 -1.60 114.94 116.96 2pns s ASN 18 Ca 0.34 -0.26 0.25 0.00 0.21 0.00 0.00 52.86 53.41 2pns s ASN 18 Cb 0.02 -0.57 0.87 0.00 -0.55 0.00 0.00 41.25 41.02 2pns s ASN 18 CO 0.19 -0.19 1.76 0.06 -2.79 0.00 0.00 177.10 176.13 2pns h GLN 19 N 8.27 0.00 0.00 0.43 3.07 -1.44 -3.47 115.11 121.97 2pns h GLN 19 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 2pns h GLN 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 2pns h GLN 19 CO 0.31 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.64 2pns n GLY 20 N 0.81 0.81 2.35 0.06 0.00 -1.26 -3.43 105.19 104.53 2pns n GLY 20 Ca 0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 2.77 2.27 -3.98 1.61 5.02 -1.26 -4.83 118.16 119.76 2pns n LYS 21 Ca 0.00 -2.19 -0.18 0.00 -2.02 0.00 0.00 58.31 53.92 2pns n LYS 21 Cb 0.00 -2.03 -0.16 0.00 -0.02 0.00 0.00 35.03 32.82 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 4.22 3.46 1.09 0.00 0.00 -0.11 -4.49 105.19 109.36 2pns n GLY 23 Ca -0.24 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.64 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 4.49 2.62 0.28 1.61 3.41 -1.26 -2.72 113.62 122.04 2pns n SER 24 Ca 0.55 -3.67 0.15 0.00 -0.26 0.00 0.00 58.87 55.63 2pns n SER 24 Cb 0.20 -0.62 0.80 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.00 0.12 0.00 5.08 -1.85 -1.40 115.95 117.89 2pns h TRP 26 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 2pns h TRP 26 Cb 0.29 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.45 2pns h TRP 26 CO 0.00 0.23 -1.06 0.00 -1.28 0.00 0.00 178.44 176.33 2pns h ALA 27 N 1.77 0.05 -0.62 0.11 0.00 -1.41 -3.10 119.26 116.05 2pns h ALA 27 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2pns h ALA 27 Cb 0.41 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2pns h ALA 27 CO 0.03 0.57 0.28 0.74 0.00 0.00 0.00 179.25 180.87 2pns h PHE 28 N -0.40 0.91 -0.07 0.00 -1.00 -1.28 -0.69 116.94 114.42 2pns h PHE 28 Ca -0.22 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 2pns h PHE 28 Cb 1.65 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.93 2pns h PHE 28 CO 0.16 0.70 -0.00 0.66 -1.61 0.00 0.00 178.31 178.22 2pns h SER 29 N 0.85 0.12 -0.31 2.17 4.64 -1.41 -1.63 113.55 117.98 2pns h SER 29 Ca 0.21 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2pns h SER 29 Cb 0.15 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2pns h SER 29 CO -0.02 0.41 0.19 0.74 -0.87 0.00 0.00 176.83 177.27 2pns h THR 30 N -0.18 1.11 -0.61 2.95 2.02 -1.48 -2.71 112.91 114.01 2pns h THR 30 Ca 0.02 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2pns h THR 30 Cb 0.35 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2pns h THR 30 CO 0.00 0.11 0.24 0.58 0.37 0.00 0.00 175.52 176.83 2pns h VAL 31 N 0.40 1.22 -0.55 3.16 2.07 -1.13 -2.61 116.25 118.81 2pns h VAL 31 Ca 0.11 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2pns h VAL 31 Cb 0.02 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2pns h VAL 31 CO -0.02 0.27 0.30 -1.28 0.02 0.00 0.00 177.57 176.86 2pns h SER 32 N 0.88 0.45 0.40 0.57 0.87 -0.98 -0.49 113.55 115.25 2pns h SER 32 Ca 0.21 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2pns h SER 32 Cb 0.18 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2pns h SER 32 CO -0.02 0.31 -0.22 0.71 -0.53 0.00 0.00 176.83 177.08 2pns h THR 33 N 0.58 0.86 0.00 2.23 1.35 -1.25 -1.79 112.91 114.89 2pns h THR 33 Ca 0.24 -0.83 -0.25 0.00 -0.55 0.00 0.00 66.41 65.01 2pns h THR 33 Cb 0.11 1.49 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2pns h THR 33 CO -0.14 0.21 -1.01 0.58 -0.25 0.00 0.00 175.52 174.91 2pns h VAL 34 N 0.00 1.32 -0.62 6.82 2.07 -1.02 -1.60 116.25 123.22 2pns h VAL 34 Ca -0.00 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 2pns h VAL 34 Cb 0.47 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2pns h VAL 34 CO 0.03 0.71 0.32 -0.33 0.02 0.00 0.00 177.57 178.32 2pns h GLU 35 N 0.34 0.88 -0.11 1.57 5.08 -0.77 -2.15 114.58 119.43 2pns h GLU 35 Ca -0.11 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2pns h GLU 35 Cb 1.66 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 2pns h GLU 35 CO 0.19 0.69 0.00 0.77 -1.00 0.00 0.00 179.01 179.67 2pns h SER 36 N 0.85 0.19 0.03 1.42 0.02 -1.30 -2.41 113.55 112.35 2pns h SER 36 Ca 0.22 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2pns h SER 36 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2pns h SER 36 CO -0.03 0.44 -0.13 -0.29 -1.14 0.00 0.00 176.83 175.69 2pns h ILE 37 N -0.07 1.17 -0.54 3.27 6.09 -1.25 -0.78 117.51 125.40 2pns h ILE 37 Ca 0.03 -0.76 -0.08 0.00 -1.37 0.00 0.00 64.86 62.68 2pns h ILE 37 Cb 0.35 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 2pns h ILE 37 CO 0.01 0.24 0.01 -1.13 -3.07 0.00 0.00 178.15 174.20 2pns h ASN 38 N 0.21 0.93 -0.40 2.19 -0.73 -1.29 -1.36 115.58 115.13 2pns h ASN 38 Ca 0.04 -0.30 -0.14 0.00 1.87 0.00 0.00 56.30 57.77 2pns h ASN 38 Cb 0.36 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 2pns h ASN 38 CO 0.02 1.00 -0.28 -0.61 -0.37 0.00 0.00 177.43 177.20 2pns h GLN 39 N 0.82 0.93 -0.59 6.67 -0.00 -0.89 0.51 115.11 122.56 2pns h GLN 39 Ca 0.15 -0.42 -0.06 0.00 -0.00 0.00 0.00 58.65 58.32 2pns h GLN 39 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 2pns h GLN 39 CO 0.03 1.08 0.11 0.82 0.00 0.00 0.00 178.83 180.87 2pns h ILE 40 N 0.78 1.24 0.11 2.39 2.04 -1.00 0.47 117.51 123.55 2pns h ILE 40 Ca 0.09 -0.92 -0.31 0.00 1.00 0.00 0.00 64.86 64.72 2pns h ILE 40 Cb 0.85 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2pns h ILE 40 CO 0.07 0.34 -1.59 0.03 0.00 0.00 0.00 178.15 177.00 2pns h ARG 41 N 0.89 0.23 0.00 2.37 2.47 -1.17 -3.40 114.38 115.76 2pns h ARG 41 Ca 0.19 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2pns h ARG 41 Cb 0.36 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2pns h ARG 41 CO 0.01 1.07 -1.26 0.25 0.56 0.00 0.00 179.97 180.60 2pns n THR 42 N -3.42 0.00 -0.64 2.04 -2.24 0.16 -5.00 114.28 105.17 2pns n THR 42 Ca -0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2pns n THR 42 Cb 1.04 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.77 0.80 3.47 3.38 0.00 0.16 -5.02 105.19 109.76 2pns n GLY 43 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.85 5.20 -0.33 1.61 0.01 -1.25 -4.96 114.94 112.36 2pns s ASN 44 Ca 0.00 -0.17 -0.18 0.00 -0.71 0.00 0.00 52.86 51.80 2pns s ASN 44 Cb 0.00 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 2pns s ASN 44 CO 0.00 -0.01 0.49 -0.22 -1.51 0.00 0.00 177.10 175.86 2pns s LEU 45 N 1.46 4.27 -0.02 0.60 2.96 -1.26 -3.40 118.68 123.29 2pns s LEU 45 Ca 0.06 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2pns s LEU 45 Cb -0.15 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2pns s LEU 45 CO 0.04 -0.41 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.91 2pns s ILE 46 N 2.33 0.93 -0.17 6.68 1.01 -1.26 -5.10 121.20 125.63 2pns s ILE 46 Ca 0.18 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 2pns s ILE 46 Cb -0.16 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2pns s ILE 46 CO 0.12 0.27 0.62 -0.55 0.00 0.00 0.00 174.94 175.40 2pns s SER 47 N -0.12 6.72 0.40 3.58 0.15 -1.26 -4.77 113.70 118.41 2pns s SER 47 Ca 0.02 0.88 0.08 0.00 0.70 0.00 0.00 55.95 57.62 2pns s SER 47 Cb -0.06 -2.35 -0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2pns s SER 47 CO 0.00 -0.22 0.48 -0.76 1.20 0.00 0.00 173.24 173.94 2pns s LEU 48 N 1.62 3.61 -0.29 3.45 1.43 -1.26 -1.27 118.68 125.97 2pns s LEU 48 Ca 0.29 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 2pns s LEU 48 Cb -0.16 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 2pns s LEU 48 CO 0.11 -0.66 0.73 -0.55 0.23 0.00 0.00 176.35 176.22 2pns s SER 49 N -4.24 6.62 0.02 2.29 0.15 -0.12 -3.87 113.70 114.56 2pns s SER 49 Ca 0.51 0.64 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 2pns s SER 49 Cb -0.08 -2.38 -0.28 0.00 -1.71 0.00 0.00 66.02 61.58 2pns s SER 49 CO 0.31 -0.54 0.94 -0.33 1.20 0.00 0.00 173.24 174.82 2pns h GLU 50 N 8.07 0.25 -0.70 5.44 3.07 -1.90 -3.32 114.58 125.49 2pns h GLU 50 Ca -0.25 -0.43 0.09 0.00 -0.50 0.00 0.00 59.36 58.27 2pns h GLU 50 Cb 1.10 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 2pns h GLU 50 CO 0.85 1.13 0.46 0.37 -1.40 0.00 0.00 179.01 180.42 2pns h GLN 51 N 0.07 0.57 -0.60 2.33 5.75 -1.86 -0.96 115.11 120.42 2pns h GLN 51 Ca -0.21 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2pns h GLN 51 Cb 2.00 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 30.39 2pns h GLN 51 CO 0.17 0.38 0.38 0.37 -2.65 0.00 0.00 178.83 177.48 2pns h GLN 52 N 0.58 0.75 -0.33 1.69 4.15 -1.81 -0.83 115.11 119.32 2pns h GLN 52 Ca 0.32 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 2pns h GLN 52 Cb 0.47 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2pns h GLN 52 CO -0.11 0.50 0.00 -0.07 -1.93 0.00 0.00 178.83 177.22 2pns h LEU 53 N 0.77 0.57 -1.03 -2.39 3.38 -1.37 0.14 115.31 115.39 2pns h LEU 53 Ca 0.23 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2pns h LEU 53 Cb -0.05 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 2pns h LEU 53 CO -0.07 0.74 0.64 0.58 0.09 0.00 0.00 178.44 180.42 2pns h VAL 54 N 0.39 1.02 0.16 1.22 2.07 -0.93 0.19 116.25 120.37 2pns h VAL 54 Ca 0.09 -0.37 -0.30 0.00 0.82 0.00 0.00 66.70 66.94 2pns h VAL 54 Cb 0.44 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2pns h VAL 54 CO 0.02 0.20 -1.46 0.44 0.02 0.00 0.00 177.57 176.78 2pns h ASP 55 N 1.09 0.52 0.00 0.57 3.32 -1.01 -3.37 116.42 117.55 2pns h ASP 55 Ca 0.45 -0.90 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2pns h ASP 55 Cb 0.30 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2pns h ASP 55 CO -0.20 1.66 -2.01 0.00 -1.72 0.00 0.00 179.24 176.97 2pns s ASN 57 N -4.54 6.44 0.51 0.00 2.47 0.05 -4.80 114.94 115.06 2pns s ASN 57 Ca -0.08 -2.20 0.17 0.00 0.42 0.00 0.00 52.86 51.16 2pns s ASN 57 Cb 0.13 -2.58 1.25 0.00 -1.45 0.00 0.00 41.25 38.60 2pns s ASN 57 CO 0.89 -1.59 2.11 0.07 -3.72 0.00 0.00 177.10 174.87 2pns h LYS 58 N 8.20 0.06 0.00 0.43 2.10 -1.85 -1.72 116.57 123.78 2pns h LYS 58 Ca 0.38 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.01 2pns h LYS 58 Cb 0.89 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2pns h LYS 58 CO 1.41 0.04 -0.10 0.87 -2.00 0.00 0.00 179.45 179.67 2pns h LYS 59 N 0.06 0.00 -6.75 0.07 1.79 -1.93 -3.43 116.57 106.37 2pns h LYS 59 Ca 0.06 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.05 2pns h LYS 59 Cb 0.17 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.86 2pns h LYS 59 CO -0.01 0.10 -0.06 -0.80 -1.08 0.00 0.00 179.45 177.60 2pns s ASN 60 N -6.02 4.95 -0.48 0.86 0.01 -0.65 -4.95 114.94 108.66 2pns s ASN 60 Ca -0.03 -0.69 0.04 0.00 -0.71 0.00 0.00 52.86 51.48 2pns s ASN 60 Cb 0.13 0.15 0.41 0.00 0.41 0.00 0.00 41.25 42.34 2pns s ASN 60 CO 0.57 -1.44 1.20 1.41 -1.51 0.00 0.00 177.10 177.33 2pns n HIS 61 N -2.37 3.39 0.00 2.20 8.25 0.40 -4.96 115.22 122.12 2pns n HIS 61 Ca 0.15 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.56 2pns n HIS 61 Cb 0.61 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.48 2.70 0.00 -1.41 0.00 -1.25 0.47 105.19 105.21 2pns n GLY 62 Ca 0.40 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.93 1.50 0.00 0.00 5.02 0.18 -0.94 118.16 122.99 2pns n LYS 64 Ca 0.18 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 2pns n LYS 64 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.36 2.10 3.89 0.72 0.00 -1.10 -4.92 105.19 107.24 2pns n GLY 65 Ca 0.12 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.30 0.08 -0.02 0.00 -1.26 -0.45 107.32 105.36 2pns s GLY 66 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 44.72 45.22 2pns s GLY 66 CO 0.00 4.85 -0.23 0.00 0.00 0.00 0.00 173.10 177.71 2pns s ALA 67 N -2.01 2.44 0.13 3.20 0.00 -1.26 -4.83 121.76 119.43 2pns s ALA 67 Ca 0.27 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 2pns s ALA 67 Cb 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2pns s ALA 67 CO -0.04 0.55 1.67 0.74 0.00 0.00 0.00 175.76 178.68 2pns h PHE 68 N 4.27 -0.40 -0.64 0.00 0.05 -2.00 -2.75 116.94 115.47 2pns h PHE 68 Ca -0.49 0.02 0.13 0.00 3.82 0.00 0.00 57.97 61.45 2pns h PHE 68 Cb 1.16 0.20 -0.10 0.00 2.00 0.00 0.00 35.95 39.21 2pns h PHE 68 CO 0.55 -0.23 0.12 0.28 -0.18 0.00 0.00 178.31 178.85 2pns h VAL 69 N -0.20 0.58 0.00 -0.55 2.07 -1.98 -0.86 116.25 115.31 2pns h VAL 69 Ca 0.09 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2pns h VAL 69 Cb 0.33 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2pns h VAL 69 CO -0.23 0.04 -0.41 1.88 0.02 0.00 0.00 177.57 178.87 2pns h TYR 70 N 0.24 0.00 0.01 1.57 0.05 -1.95 -1.35 116.97 115.54 2pns h TYR 70 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.12 2pns h TYR 70 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2pns h TYR 70 CO -0.27 0.41 -0.00 0.00 -1.05 0.00 0.00 178.16 177.24 2pns h ALA 71 N 1.59 -0.01 -0.79 3.88 0.00 -0.91 -0.56 119.26 122.46 2pns h ALA 71 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2pns h ALA 71 Cb 0.82 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2pns h ALA 71 CO 0.05 -0.28 0.34 1.88 0.00 0.00 0.00 179.25 181.24 2pns h TYR 72 N -0.45 1.19 -0.65 0.00 0.99 -1.23 -2.30 116.97 114.51 2pns h TYR 72 Ca -0.00 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 2pns h TYR 72 Cb 0.45 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.79 2pns h TYR 72 CO 0.08 0.88 0.25 0.37 -0.00 0.00 0.00 178.16 179.75 2pns h GLN 73 N 1.14 0.98 -0.07 4.88 5.75 -1.20 -1.78 115.11 124.81 2pns h GLN 73 Ca 0.27 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2pns h GLN 73 Cb 0.18 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2pns h GLN 73 CO -0.03 0.83 -0.03 -0.92 -2.65 0.00 0.00 178.83 176.03 2pns h TYR 74 N 0.92 -0.08 -0.82 3.99 3.20 -0.78 0.11 116.97 123.51 2pns h TYR 74 Ca 0.22 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.19 2pns h TYR 74 Cb 0.22 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 2pns h TYR 74 CO 0.01 -0.05 0.47 0.82 -1.64 0.00 0.00 178.16 177.77 2pns h ILE 75 N -0.03 0.91 0.41 1.81 2.04 -1.16 0.21 117.51 121.70 2pns h ILE 75 Ca 0.04 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2pns h ILE 75 Cb 0.09 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2pns h ILE 75 CO -0.09 0.14 -0.19 0.40 0.00 0.00 0.00 178.15 178.41 2pns h ILE 76 N 0.79 0.47 -0.78 -0.67 2.04 -0.86 -1.51 117.51 116.99 2pns h ILE 76 Ca 0.40 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2pns h ILE 76 Cb 0.36 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 2pns h ILE 76 CO -0.25 0.08 0.48 0.44 0.00 0.00 0.00 178.15 178.91 2pns h ASP 77 N -0.92 0.77 0.60 1.72 3.32 -0.57 -1.33 116.42 120.01 2pns h ASP 77 Ca -0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2pns h ASP 77 Cb 0.55 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2pns h ASP 77 CO 0.09 0.51 0.00 -1.13 -1.72 0.00 0.00 179.24 176.99 2pns h ASN 78 N 0.90 0.00 0.00 6.45 -0.73 -0.62 -3.46 115.58 118.12 2pns h ASN 78 Ca 0.33 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.50 2pns h ASN 78 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 2pns h ASN 78 CO -0.15 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.52 2pns n GLY 79 N -0.27 0.61 0.00 1.57 0.00 -0.50 -4.96 105.19 101.64 2pns n GLY 79 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.96 3.26 -0.02 0.00 -0.60 -4.78 105.19 103.26 2pns n GLY 80 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.89 1.52 0.70 -0.61 2.07 -0.21 -4.84 121.20 117.94 2pns s ILE 81 Ca 0.00 -1.60 -0.04 0.00 -1.41 0.00 0.00 60.65 57.60 2pns s ILE 81 Cb 0.00 -1.50 0.09 0.00 0.13 0.00 0.00 42.46 41.18 2pns s ILE 81 CO 0.00 -0.22 0.98 -0.62 -1.91 0.00 0.00 174.94 173.18 2pns s ASP 82 N -2.12 4.60 0.57 4.50 -1.08 -1.14 -1.98 116.67 120.00 2pns s ASP 82 Ca 0.07 0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 52.10 2pns s ASP 82 Cb -0.08 -0.63 -0.01 0.00 -1.46 0.00 0.00 42.92 40.73 2pns s ASP 82 CO 0.04 -1.69 0.90 0.42 0.52 0.00 0.00 175.17 175.35 2pns s THR 83 N -3.17 4.25 0.25 1.71 -4.23 -1.26 -0.95 115.64 112.24 2pns s THR 83 Ca 0.63 0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 2pns s THR 83 Cb -0.08 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.32 2pns s THR 83 CO 0.44 -0.72 1.89 -0.08 -0.54 0.00 0.00 174.62 175.61 2pns h GLU 84 N -0.09 1.25 -0.64 3.99 4.57 -1.29 -1.91 114.58 120.46 2pns h GLU 84 Ca -0.46 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 2pns h GLU 84 Cb 1.23 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 2pns h GLU 84 CO 0.61 0.88 0.33 0.00 -1.18 0.00 0.00 179.01 179.65 2pns h ALA 85 N 1.33 0.82 0.00 2.92 0.00 -1.92 -1.80 119.26 120.61 2pns h ALA 85 Ca 0.33 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2pns h ALA 85 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2pns h ALA 85 CO -0.06 0.36 -0.49 -0.91 0.00 0.00 0.00 179.25 178.15 2pns h ASN 86 N 0.87 0.00 -2.16 0.00 2.35 -1.89 -3.38 115.58 111.37 2pns h ASN 86 Ca 0.22 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.40 2pns h ASN 86 Cb 0.08 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.06 2pns h ASN 86 CO -0.03 0.49 -1.05 0.00 -1.65 0.00 0.00 177.43 175.19 2pns n TYR 87 N -3.29 -0.52 -1.52 1.19 -0.00 -0.74 -5.00 117.16 107.28 2pns n TYR 87 Ca 0.01 -3.47 -0.36 0.00 -0.00 0.00 0.00 57.90 54.09 2pns n TYR 87 Cb 0.69 -0.11 0.09 0.00 -0.00 0.00 0.00 39.34 40.01 2pns n TYR 87 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2pns n PRO 88 N 1.98 0.80 -2.67 2.98 -0.04 -0.69 -4.50 135.00 132.87 2pns n PRO 88 Ca 0.25 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.64 2pns n PRO 88 Cb 0.51 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 2pns n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2pns s TYR 89 N -1.63 3.78 -0.06 0.54 5.04 -1.26 -4.76 117.35 119.01 2pns s TYR 89 Ca 0.80 1.77 0.01 0.00 -2.44 0.00 0.00 57.07 57.21 2pns s TYR 89 Cb -0.35 -3.10 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 2pns s TYR 89 CO 0.44 0.03 0.05 1.63 -1.34 0.00 0.00 175.55 176.36 2pns n LYS 90 N 2.41 5.80 -1.60 4.97 4.76 -1.26 -5.01 118.16 128.23 2pns n LYS 90 Ca 0.02 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 2pns n LYS 90 Cb 0.48 -0.62 -0.04 0.00 -1.84 0.00 0.00 35.03 33.01 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 -1.09 -0.25 -3.41 7.82 0.00 -1.26 -4.97 120.51 117.34 2pns n ALA 91 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 2pns n ALA 91 Cb 0.02 -1.52 -0.09 0.00 0.00 0.00 0.00 19.45 17.86 2pns n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pns s VAL 92 N -2.54 0.00 0.21 0.00 0.11 -1.26 -4.49 120.40 112.43 2pns s VAL 92 Ca 0.00 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 2pns s VAL 92 Cb 0.00 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 2pns s VAL 92 CO 0.00 -0.01 1.09 -1.58 -3.33 0.00 0.00 175.10 171.27 2pns s GLN 93 N 0.14 4.62 0.33 1.54 0.74 -1.26 -4.97 119.66 120.80 2pns s GLN 93 Ca -0.01 1.73 0.07 0.00 0.05 0.00 0.00 55.36 57.19 2pns s GLN 93 Cb -0.04 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 2pns s GLN 93 CO 0.01 0.14 0.25 0.41 -0.55 0.00 0.00 175.29 175.55 2pns n GLY 94 N 1.79 2.99 3.68 2.59 0.00 -1.26 -5.06 105.19 109.92 2pns n GLY 94 Ca 0.01 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 2pns n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pns n PRO 95 N -0.66 2.10 -2.04 1.61 -0.02 -1.26 -4.62 135.00 130.11 2pns n PRO 95 Ca 0.05 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 2pns n PRO 95 Cb 0.59 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2pns n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pns s ARG 97 N 4.00 3.32 0.22 0.00 0.52 -1.26 -5.02 118.95 120.72 2pns s ARG 97 Ca 0.72 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 2pns s ARG 97 Cb -0.32 -2.52 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 2pns s ARG 97 CO 0.28 -0.15 1.05 0.00 0.02 0.00 0.00 175.30 176.51 2pns s ALA 98 N -2.56 3.36 0.06 2.13 0.00 -1.26 -5.03 121.76 118.47 2pns s ALA 98 Ca 0.46 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2pns s ALA 98 Cb -0.10 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2pns s ALA 98 CO 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 175.76 176.01 2pns s ALA 99 N -0.72 0.69 0.44 0.00 0.00 -1.26 -5.11 121.76 115.80 2pns s ALA 99 Ca 0.46 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 2pns s ALA 99 Cb -0.29 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 2pns s ALA 99 CO 0.36 -0.17 0.98 0.15 0.00 0.00 0.00 175.76 177.08 2pns s LYS 100 N -2.81 4.11 -1.08 0.00 1.02 -1.26 -4.95 119.74 114.77 2pns s LYS 100 Ca 0.01 1.21 -0.08 0.00 0.02 0.00 0.00 55.97 57.13 2pns s LYS 100 Cb -0.01 -2.19 0.27 0.00 -0.52 0.00 0.00 37.83 35.38 2pns s LYS 100 CO -0.03 -0.14 1.06 0.15 -0.92 0.00 0.00 175.35 175.47 2pns s LYS 101 N -3.13 4.07 -0.07 1.68 1.02 -1.26 -2.90 119.74 119.14 2pns s LYS 101 Ca 0.63 -3.22 -0.26 0.00 0.02 0.00 0.00 55.97 53.14 2pns s LYS 101 Cb -0.12 -4.48 -0.22 0.00 -0.52 0.00 0.00 37.83 32.50 2pns s LYS 101 CO 0.16 -1.24 1.01 0.28 -0.92 0.00 0.00 175.35 174.63 2pns h VAL 102 N 3.74 1.48 -4.41 3.17 2.07 -1.74 -3.45 116.25 117.10 2pns h VAL 102 Ca 0.17 -1.63 -0.70 0.00 0.82 0.00 0.00 66.70 65.37 2pns h VAL 102 Cb 0.87 2.56 -0.28 0.00 -1.52 0.00 0.00 31.29 32.93 2pns h VAL 102 CO 0.99 0.41 -0.87 -0.69 0.02 0.00 0.00 177.57 177.44 2pns s VAL 103 N -3.31 2.26 0.07 2.57 1.01 -1.04 -4.96 120.40 117.01 2pns s VAL 103 Ca -0.17 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2pns s VAL 103 Cb -0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2pns s VAL 103 CO 0.65 0.51 -0.09 -0.13 0.00 0.00 0.00 175.10 176.04 2pns s ARG 104 N -0.85 0.71 0.25 2.72 0.52 -1.26 -1.04 118.95 120.00 2pns s ARG 104 Ca 0.11 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.37 2pns s ARG 104 Cb -0.10 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 2pns s ARG 104 CO 0.00 0.06 -0.09 0.96 0.02 0.00 0.00 175.30 176.26 2pns s ILE 105 N -2.16 1.65 -0.14 1.52 -4.36 -1.26 -5.00 121.20 111.45 2pns s ILE 105 Ca -0.00 -2.15 0.18 0.00 -0.26 0.00 0.00 60.65 58.41 2pns s ILE 105 Cb -0.05 -2.31 -0.24 0.00 1.25 0.00 0.00 42.46 41.12 2pns s ILE 105 CO -0.01 -0.40 0.36 0.47 0.24 0.00 0.00 174.94 175.60 2pns n ASP 106 N -0.51 0.28 0.00 4.36 8.00 -0.26 -4.78 116.55 123.64 2pns n ASP 106 Ca -0.06 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2pns n ASP 106 Cb 0.62 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 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 1.58 0.99 3.43 0.44 0.00 -1.10 -4.99 105.19 105.53 2pns n GLY 107 Ca -0.22 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.02 -0.50 0.02 1.61 -0.85 -1.26 -0.56 117.35 113.79 2pns s TYR 108 Ca 0.00 0.67 0.03 0.00 -0.52 0.00 0.00 57.07 57.24 2pns s TYR 108 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 2pns s TYR 108 CO 0.00 -0.64 -0.08 0.15 -1.52 0.00 0.00 175.55 173.46 2pns s LYS 109 N -2.10 0.60 0.13 -3.49 1.02 -0.11 -4.90 119.74 110.89 2pns s LYS 109 Ca -0.07 -0.53 -0.07 0.00 0.02 0.00 0.00 55.97 55.32 2pns s LYS 109 Cb -0.01 -0.51 -0.06 0.00 -0.52 0.00 0.00 37.83 36.73 2pns s LYS 109 CO 0.01 0.12 0.40 0.20 -0.92 0.00 0.00 175.35 175.17 2pns s GLY 110 N -0.87 2.27 0.07 -3.33 0.00 -1.26 -1.61 107.32 102.59 2pns s GLY 110 Ca -0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 2pns s GLY 110 CO 0.00 -0.34 0.32 0.14 0.00 0.00 0.00 173.10 173.23 2pns s VAL 111 N -1.58 5.22 0.20 1.40 1.01 -0.18 -4.97 120.40 121.50 2pns s VAL 111 Ca 0.39 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 62.18 2pns s VAL 111 Cb -0.13 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.51 2pns s VAL 111 CO 0.22 0.23 1.39 -2.65 0.00 0.00 0.00 175.10 174.28 2pns n PRO 112 N 0.68 1.84 -2.12 2.72 -0.02 -1.26 -4.55 135.00 132.28 2pns n PRO 112 Ca -0.07 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 2pns n PRO 112 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.13 2.89 -1.38 6.00 3.76 -1.26 -3.72 115.29 121.72 2pns s HIS 113 Ca 0.72 1.45 -0.02 0.00 -0.15 0.00 0.00 55.06 57.06 2pns s HIS 113 Cb -0.71 -3.59 -0.00 0.00 1.11 0.00 0.00 32.58 29.39 2pns s HIS 113 CO 0.48 -1.86 0.46 0.00 -0.85 0.00 0.00 174.74 172.96 2pns s ASN 115 N -4.29 2.31 0.56 0.00 3.84 -1.24 -4.62 114.94 111.49 2pns s ASN 115 Ca 0.04 -2.22 0.33 0.00 0.21 0.00 0.00 52.86 51.22 2pns s ASN 115 Cb -0.02 -0.19 1.66 0.00 -0.55 0.00 0.00 41.25 42.15 2pns s ASN 115 CO 0.88 -0.27 2.13 -0.33 -2.79 0.00 0.00 177.10 176.72 2pns h GLU 116 N 6.76 0.00 -0.45 0.43 5.08 -1.90 -1.42 114.58 123.08 2pns h GLU 116 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2pns h GLU 116 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2pns h GLU 116 CO 0.26 0.07 -0.14 -0.97 -1.00 0.00 0.00 179.01 177.22 2pns h ASN 117 N 0.00 0.90 0.05 1.42 -0.73 -1.97 0.14 115.58 115.38 2pns h ASN 117 Ca -0.00 -0.38 -0.17 0.00 1.87 0.00 0.00 56.30 57.63 2pns h ASN 117 Cb 0.29 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 2pns h ASN 117 CO 0.01 1.07 -0.58 0.00 -0.37 0.00 0.00 177.43 177.56 2pns h ALA 118 N 0.86 0.66 -0.65 1.57 0.00 -1.76 -2.34 119.26 117.61 2pns h ALA 118 Ca 0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2pns h ALA 118 Cb 0.70 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pns h ALA 118 CO 0.05 0.70 0.12 1.25 0.00 0.00 0.00 179.25 181.37 2pns h LEU 119 N 0.41 1.02 -0.64 0.00 5.85 -1.06 -1.44 115.31 119.45 2pns h LEU 119 Ca 0.00 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2pns h LEU 119 Cb 1.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2pns h LEU 119 CO 0.11 1.01 0.42 0.50 -0.34 0.00 0.00 178.44 180.14 2pns h LYS 120 N 0.98 0.84 -0.75 1.25 3.64 -0.57 -0.11 116.57 121.85 2pns h LYS 120 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2pns h LYS 120 Cb 0.41 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2pns h LYS 120 CO 0.01 0.55 0.48 -0.22 -2.27 0.00 0.00 179.45 178.00 2pns h LYS 121 N 0.86 1.00 -0.17 1.90 3.64 -1.01 -1.19 116.57 121.60 2pns h LYS 121 Ca 0.23 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2pns h LYS 121 Cb -0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 2pns h LYS 121 CO -0.05 0.68 -0.02 0.00 -2.27 0.00 0.00 179.45 177.79 2pns h ALA 122 N 1.26 0.23 -0.18 5.00 0.00 -0.70 -3.01 119.26 121.85 2pns h ALA 122 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pns h ALA 122 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pns h ALA 122 CO -0.06 -0.03 0.06 0.28 0.00 0.00 0.00 179.25 179.50 2pns h VAL 123 N 0.03 1.08 0.00 0.00 2.07 -0.84 -0.37 116.25 118.23 2pns h VAL 123 Ca 0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2pns h VAL 123 Cb 0.43 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2pns h VAL 123 CO 0.01 0.10 -0.11 0.00 0.02 0.00 0.00 177.57 177.60 2pns h ALA 124 N 1.82 1.32 0.10 1.67 0.00 -1.09 -2.93 119.26 120.15 2pns h ALA 124 Ca 0.06 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 2pns h ALA 124 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pns h ALA 124 CO -0.01 0.13 -1.95 0.43 0.00 0.00 0.00 179.25 177.85 2pns n SER 125 N -3.67 1.88 -3.59 0.00 7.64 -0.25 -5.04 113.62 110.60 2pns n SER 125 Ca -0.02 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 60.04 2pns n SER 125 Cb 0.22 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.57 0.41 0.38 1.43 0.00 -0.61 -5.10 119.66 113.61 2pns s GLN 126 Ca -0.19 -0.04 -0.26 0.00 -0.00 0.00 0.00 55.36 54.86 2pns s GLN 126 Cb 0.07 0.19 -0.11 0.00 0.00 0.00 0.00 33.01 33.16 2pns s GLN 126 CO 0.78 -0.16 1.20 -2.30 0.00 0.00 0.00 175.29 174.81 2pns n PRO 127 N 0.23 1.83 -4.29 9.60 -0.02 -1.26 -3.98 135.00 137.11 2pns n PRO 127 Ca -0.04 0.65 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2pns n PRO 127 Cb 0.59 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.51 2.03 0.28 2.55 0.01 -1.02 -4.77 113.70 112.27 2pns s SER 128 Ca 0.59 -0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.10 2pns s SER 128 Cb -0.55 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.49 2pns s SER 128 CO 0.59 0.01 0.69 0.54 0.41 0.00 0.00 173.24 175.49 2pns s VAL 129 N -1.11 4.70 0.06 3.43 0.11 0.21 -0.90 120.40 126.91 2pns s VAL 129 Ca 0.02 0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 59.92 2pns s VAL 129 Cb -0.09 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2pns s VAL 129 CO 0.03 -0.05 0.22 0.68 -3.33 0.00 0.00 175.10 172.64 2pns s VAL 130 N -1.82 0.11 0.02 2.04 -7.23 -0.58 -1.66 120.40 111.27 2pns s VAL 130 Ca 0.50 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2pns s VAL 130 Cb -0.12 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 2pns s VAL 130 CO 0.19 -0.51 -0.03 0.00 -0.31 0.00 0.00 175.10 174.44 2pns s ALA 131 N -2.96 3.18 0.22 1.32 0.00 -1.25 -1.40 121.76 120.88 2pns s ALA 131 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2pns s ALA 131 Cb 0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2pns s ALA 131 CO -0.06 0.64 0.15 0.96 0.00 0.00 0.00 175.76 177.46 2pns s ILE 132 N -1.10 0.02 -0.47 0.00 -4.36 -0.04 -4.04 121.20 111.23 2pns s ILE 132 Ca 0.20 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.43 2pns s ILE 132 Cb -0.11 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 41.15 2pns s ILE 132 CO 0.11 0.00 0.42 -0.62 0.24 0.00 0.00 174.94 175.09 2pns s ASP 133 N -3.20 6.16 -0.20 4.36 -1.08 -0.35 -1.62 116.67 120.74 2pns s ASP 133 Ca 0.39 -1.17 0.16 0.00 -0.52 0.00 0.00 52.55 51.41 2pns s ASP 133 Cb 0.06 -2.20 0.65 0.00 -1.46 0.00 0.00 42.92 39.97 2pns s ASP 133 CO 0.15 -0.65 1.56 0.00 0.52 0.00 0.00 175.17 176.74 2pns n ALA 134 N 5.36 3.34 0.23 3.66 0.00 -1.26 -4.63 120.51 127.21 2pns n ALA 134 Ca -0.11 -2.13 0.12 0.00 0.00 0.00 0.00 53.44 51.32 2pns n ALA 134 Cb 0.45 -0.88 0.39 0.00 0.00 0.00 0.00 19.45 19.41 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 2.73 0.00 -4.08 0.00 4.64 -1.91 -3.41 113.55 111.53 2pns h SER 135 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2pns h SER 135 Cb 1.65 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.82 2pns h SER 135 CO 0.33 0.12 0.46 -0.94 -0.87 0.00 0.00 176.83 175.93 2pns s SER 136 N -6.08 5.60 0.27 4.97 1.04 -1.26 -4.93 113.70 113.31 2pns s SER 136 Ca 0.03 2.28 0.03 0.00 0.48 0.00 0.00 55.95 58.77 2pns s SER 136 Cb 0.08 -2.59 0.38 0.00 0.10 0.00 0.00 66.02 63.99 2pns s SER 136 CO 0.63 -1.31 1.68 0.11 0.98 0.00 0.00 173.24 175.33 2pns h LYS 137 N 1.22 0.40 -0.70 4.02 6.56 -1.90 -2.45 116.57 123.71 2pns h LYS 137 Ca -0.50 -0.18 0.01 0.00 -1.06 0.00 0.00 60.65 58.91 2pns h LYS 137 Cb 1.27 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.89 2pns h LYS 137 CO 0.57 0.71 0.46 1.96 -2.06 0.00 0.00 179.45 181.09 2pns h GLN 138 N 0.34 0.93 0.00 3.15 7.50 -1.91 -0.45 115.11 124.66 2pns h GLN 138 Ca 0.04 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 59.04 2pns h GLN 138 Cb 0.79 -0.21 0.01 0.00 0.05 0.00 0.00 27.48 28.12 2pns h GLN 138 CO 0.06 0.62 -0.34 0.35 -1.50 0.00 0.00 178.83 178.02 2pns h PHE 139 N 0.95 0.34 0.00 2.96 3.04 -1.79 -2.48 116.94 119.96 2pns h PHE 139 Ca 0.26 -0.19 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 2pns h PHE 139 Cb -0.10 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 2pns h PHE 139 CO 0.00 1.00 -0.02 1.96 -2.02 0.00 0.00 178.31 179.23 2pns h GLN 140 N -0.41 0.00 -0.29 1.11 4.20 -1.15 -2.20 115.11 116.37 2pns h GLN 140 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2pns h GLN 140 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2pns h GLN 140 CO 0.07 0.02 0.00 0.72 -0.67 0.00 0.00 178.83 178.97 2pns n HIS 141 N -3.98 0.78 -1.73 2.96 8.25 -0.20 -5.01 115.22 116.29 2pns n HIS 141 Ca -0.03 -0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 56.26 2pns n HIS 141 Cb 0.11 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.17 2.63 0.00 4.41 9.36 -0.83 -4.93 117.16 127.64 2pns n TYR 142 Ca 0.18 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.88 2pns n TYR 142 Cb 0.74 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 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 0.65 0.00 -3.69 2.98 5.02 -1.26 -2.67 118.16 119.19 2pns n LYS 143 Ca 0.04 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.25 2pns n LYS 143 Cb 0.37 -0.68 -0.02 0.00 -0.02 0.00 0.00 35.03 34.69 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 -4.19 -0.32 0.00 4.39 1.04 -1.26 -3.01 113.70 110.34 2pns s SER 144 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2pns s SER 144 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2pns s SER 144 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2pns n GLY 145 N -0.42 -2.89 3.50 7.32 0.00 -1.26 -4.81 105.19 106.63 2pns n GLY 145 Ca -0.08 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.58 4.75 0.18 -0.61 1.01 -1.26 -4.22 121.20 120.47 2pns s ILE 146 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 2pns s ILE 146 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 2pns s ILE 146 CO 0.00 -0.74 1.39 0.12 0.00 0.00 0.00 174.94 175.71 2pns s PHE 147 N 3.01 3.18 -0.08 3.97 5.36 0.64 -4.83 117.98 129.23 2pns s PHE 147 Ca 0.23 1.03 0.14 0.00 -0.96 0.00 0.00 56.93 57.37 2pns s PHE 147 Cb -0.15 -3.71 0.28 0.00 -0.34 0.00 0.00 43.02 39.11 2pns s PHE 147 CO 0.18 -2.37 1.13 -1.13 -1.46 0.00 0.00 175.22 171.57 2pns n SER 148 N 3.11 1.21 0.00 6.13 3.41 -1.26 -1.54 113.62 124.67 2pns n SER 148 Ca 0.09 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2pns n SER 148 Cb 0.42 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.45 -2.16 3.86 5.00 0.00 -1.26 -4.92 105.19 105.26 2pns n GLY 149 Ca 0.10 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.19 3.41 -0.25 1.61 0.04 -1.26 -4.96 135.00 133.40 2pns s PRO 150 Ca 0.00 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 2pns s PRO 150 Cb 0.00 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.66 2pns s PRO 150 CO 0.00 -0.71 1.27 0.00 0.04 0.00 0.00 177.00 177.59 2pns n GLY 152 N 0.56 0.80 0.09 0.00 0.00 -1.26 -4.47 105.19 100.90 2pns n GLY 152 Ca -0.03 -1.88 0.10 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 -0.14 1.88 -2.63 2.61 -2.24 -1.26 -3.72 114.28 108.78 2pns n THR 153 Ca 0.00 -2.24 -0.43 0.00 -2.27 0.00 0.00 64.05 59.11 2pns n THR 153 Cb 0.00 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.84 3.70 0.00 -0.78 1.02 -1.26 -4.84 119.74 114.74 2pns s LYS 154 Ca 0.32 0.52 -0.30 0.00 0.02 0.00 0.00 55.97 56.52 2pns s LYS 154 Cb 0.28 -3.91 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 2pns s LYS 154 CO 0.03 -1.35 1.42 -0.51 -0.92 0.00 0.00 175.35 174.02 2pns s LEU 155 N 4.34 4.32 0.00 3.17 1.43 -1.26 -3.81 118.68 126.87 2pns s LEU 155 Ca 0.46 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2pns s LEU 155 Cb -0.08 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2pns s LEU 155 CO 0.31 -0.74 0.10 -0.46 0.23 0.00 0.00 176.35 175.79 2pns n ASN 156 N 5.44 0.00 -3.78 2.29 0.23 -0.64 -4.97 115.26 113.83 2pns n ASN 156 Ca 0.13 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.06 2pns n ASN 156 Cb 0.43 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.27 -0.13 -2.53 5.04 -0.82 -4.89 115.29 111.68 2pns s HIS 157 Ca 0.00 0.65 -0.02 0.00 -1.54 0.00 0.00 55.06 54.15 2pns s HIS 157 Cb 0.00 0.10 -0.03 0.00 0.04 0.00 0.00 32.58 32.69 2pns s HIS 157 CO 0.00 -0.18 -0.06 0.20 -2.34 0.00 0.00 174.74 172.37 2pns s GLY 158 N -0.08 1.69 0.27 1.59 0.00 -1.26 -0.86 107.32 108.67 2pns s GLY 158 Ca -0.02 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.91 2pns s GLY 158 CO 0.01 -0.23 0.21 3.33 0.00 0.00 0.00 173.10 176.42 2pns n VAL 159 N 3.21 0.00 -4.70 1.40 0.24 -0.49 -4.69 118.33 113.29 2pns n VAL 159 Ca -0.18 -1.92 -0.24 0.00 -2.04 0.00 0.00 64.34 59.97 2pns n VAL 159 Cb 0.53 0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 33.66 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 -3.03 1.23 -0.31 3.34 1.01 -1.03 -1.53 120.40 120.09 2pns s VAL 160 Ca 0.29 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2pns s VAL 160 Cb 0.01 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2pns s VAL 160 CO 0.21 0.36 0.46 -0.63 0.00 0.00 0.00 175.10 175.50 2pns s ILE 161 N -0.01 5.08 -1.45 2.22 1.01 -0.08 0.03 121.20 128.01 2pns s ILE 161 Ca -0.02 0.50 0.15 0.00 0.00 0.00 0.00 60.65 61.28 2pns s ILE 161 Cb -0.10 -3.85 0.32 0.00 0.01 0.00 0.00 42.46 38.85 2pns s ILE 161 CO 0.01 -0.04 1.23 1.33 0.00 0.00 0.00 174.94 177.48 2pns n VAL 162 N 5.27 0.69 -0.33 2.92 0.24 -0.29 -2.43 118.33 124.39 2pns n VAL 162 Ca -0.06 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 2pns n VAL 162 Cb 0.50 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 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 0.87 -1.87 3.85 7.63 0.00 -1.21 -1.10 105.19 113.35 2pns n GLY 163 Ca 0.14 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.09 -0.19 0.32 1.61 -0.85 -0.08 -0.84 117.35 115.23 2pns s TYR 164 Ca 0.00 -0.26 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 2pns s TYR 164 Cb 0.00 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 43.01 2pns s TYR 164 CO 0.00 -1.22 0.20 -1.58 -1.52 0.00 0.00 175.55 171.44 2pns s TRP 165 N -3.89 1.66 0.31 -3.49 0.52 0.39 -2.09 118.94 112.35 2pns s TRP 165 Ca 0.11 -1.49 -0.01 0.00 0.02 0.00 0.00 56.10 54.73 2pns s TRP 165 Cb -0.06 -0.82 0.48 0.00 -1.15 0.00 0.00 33.47 31.93 2pns s TRP 165 CO 0.06 -0.65 1.96 -0.22 0.02 0.00 0.00 176.95 178.13 2pns h LYS 166 N 2.15 0.99 -0.08 4.98 3.64 -1.99 -3.18 116.57 123.08 2pns h LYS 166 Ca -0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2pns h LYS 166 Cb 1.25 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2pns h LYS 166 CO 0.46 0.69 0.00 -0.25 -2.27 0.00 0.00 179.45 178.08 2pns n ASP 167 N -4.40 2.39 -3.51 4.20 8.00 -1.26 -4.90 116.55 117.07 2pns n ASP 167 Ca 0.08 -1.68 -0.11 0.00 0.71 0.00 0.00 54.79 53.79 2pns n ASP 167 Cb 0.06 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2pns n ASP 167 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2pns s TYR 168 N -1.22 -0.41 -0.06 1.24 -0.85 -1.20 -1.54 117.35 113.30 2pns s TYR 168 Ca 0.19 0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.84 2pns s TYR 168 Cb 0.13 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 2pns s TYR 168 CO 0.19 -0.79 0.17 -1.58 -1.52 0.00 0.00 175.55 172.02 2pns s TRP 169 N -3.77 3.58 -0.36 -3.49 0.52 0.64 -0.46 118.94 115.59 2pns s TRP 169 Ca 0.02 0.48 -0.14 0.00 0.02 0.00 0.00 56.10 56.47 2pns s TRP 169 Cb 0.00 -1.91 -0.00 0.00 -1.15 0.00 0.00 33.47 30.41 2pns s TRP 169 CO -0.13 0.69 0.30 0.42 0.02 0.00 0.00 176.95 178.26 2pns s ILE 170 N -1.17 5.23 -0.14 2.03 1.01 -0.02 -1.38 121.20 126.76 2pns s ILE 170 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2pns s ILE 170 Cb -0.12 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2pns s ILE 170 CO 0.11 -0.14 -0.07 -0.69 0.00 0.00 0.00 174.94 174.16 2pns s VAL 171 N 1.83 3.65 -0.28 2.92 1.01 0.00 -1.14 120.40 128.39 2pns s VAL 171 Ca 0.08 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2pns s VAL 171 Cb -0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2pns s VAL 171 CO 0.11 0.51 0.42 -0.60 0.00 0.00 0.00 175.10 175.53 2pns s ARG 172 N 0.31 3.95 0.48 2.72 3.52 0.10 -1.20 118.95 128.84 2pns s ARG 172 Ca -0.06 0.04 0.09 0.00 -0.13 0.00 0.00 55.73 55.67 2pns s ARG 172 Cb -0.15 -3.68 0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2pns s ARG 172 CO 0.04 -0.35 0.66 1.21 -0.81 0.00 0.00 175.30 176.04 2pns s ASN 173 N 1.64 5.43 -0.34 -2.12 3.84 -0.90 -2.46 114.94 120.03 2pns s ASN 173 Ca 0.16 -0.59 0.08 0.00 0.21 0.00 0.00 52.86 52.72 2pns s ASN 173 Cb -0.16 -0.27 0.45 0.00 -0.55 0.00 0.00 41.25 40.72 2pns s ASN 173 CO 0.10 -0.99 1.15 -1.54 -2.79 0.00 0.00 177.10 173.03 2pns n SER 174 N -2.01 4.51 -0.90 -4.21 3.41 -1.26 -4.66 113.62 108.50 2pns n SER 174 Ca 0.11 -3.59 0.01 0.00 -0.26 0.00 0.00 58.87 55.14 2pns n SER 174 Cb 0.60 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.60 0.74 0.00 7.33 8.01 -1.24 -1.04 117.44 130.64 2pns n TRP 175 Ca 0.39 -1.40 0.00 0.00 -1.31 0.00 0.00 57.50 55.18 2pns n TRP 175 Cb 0.85 -0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.76 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 -1.06 -1.46 0.22 6.99 0.00 -0.63 -4.42 105.19 104.83 2pns n GLY 176 Ca 0.27 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.83 2pns n GLY 176 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pns h ARG 177 N 0.00 0.00 -0.15 1.61 3.08 -1.85 -3.29 114.38 113.79 2pns h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pns h ARG 177 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2pns h ARG 177 CO 0.00 0.22 0.00 0.66 -1.07 0.00 0.00 179.97 179.78 2pns n TYR 178 N -3.33 0.20 -4.84 3.04 4.02 -1.26 -3.18 117.16 111.80 2pns n TYR 178 Ca 0.01 -0.10 -0.33 0.00 -0.01 0.00 0.00 57.90 57.47 2pns n TYR 178 Cb 0.45 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.64 2pns n TYR 178 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 2pns s TRP 179 N -1.80 2.75 0.00 -0.72 -0.00 -1.24 -4.98 118.94 112.95 2pns s TRP 179 Ca 0.15 -0.23 0.00 0.00 -0.00 0.00 0.00 56.10 56.02 2pns s TRP 179 Cb 0.08 -1.68 0.00 0.00 -0.00 0.00 0.00 33.47 31.87 2pns s TRP 179 CO 0.11 0.13 0.00 0.41 -0.00 0.00 0.00 176.95 177.60 2pns n GLY 180 N 2.53 1.02 3.49 5.86 0.00 -1.09 -0.73 105.19 116.28 2pns n GLY 180 Ca -0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 3.91 -1.46 1.61 2.02 0.05 -4.31 118.70 120.52 2pns s GLU 181 Ca 0.00 -2.13 -0.09 0.00 0.02 0.00 0.00 54.97 52.77 2pns s GLU 181 Cb 0.00 -5.16 0.04 0.00 0.10 0.00 0.00 34.13 29.11 2pns s GLU 181 CO 0.00 -1.91 0.82 1.04 0.02 0.00 0.00 175.26 175.23 2pns n GLN 182 N 6.74 -5.58 -0.01 1.61 1.13 -1.24 -2.05 117.38 117.97 2pns n GLN 182 Ca 0.36 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 56.17 2pns n GLN 182 Cb 0.46 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 25.16 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 -1.63 0.25 3.69 1.08 0.00 0.09 -4.65 105.19 104.02 2pns n GLY 183 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 2.66 -0.05 1.61 1.51 -0.87 -2.12 117.35 118.05 2pns s TYR 184 Ca 0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2pns s TYR 184 Cb 0.00 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2pns s TYR 184 CO 0.00 0.42 0.11 -1.50 -1.11 0.00 0.00 175.55 173.47 2pns s ILE 185 N -2.44 -0.02 -0.31 2.71 2.07 -0.34 -0.77 121.20 122.10 2pns s ILE 185 Ca 0.36 0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.55 2pns s ILE 185 Cb -0.02 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 2pns s ILE 185 CO 0.21 0.03 0.28 -0.13 -1.91 0.00 0.00 174.94 173.42 2pns s ARG 186 N 0.53 3.73 -0.16 3.50 0.52 -1.26 -0.82 118.95 124.99 2pns s ARG 186 Ca -0.04 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2pns s ARG 186 Cb -0.06 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.65 2pns s ARG 186 CO -0.02 -0.36 -0.03 -1.64 0.02 0.00 0.00 175.30 173.26 2pns s MET 187 N 1.86 3.64 0.35 3.54 -1.94 -0.48 -0.26 119.30 126.02 2pns s MET 187 Ca 0.09 -0.53 -0.28 0.00 -1.71 0.00 0.00 55.69 53.26 2pns s MET 187 Cb -0.17 -2.94 -0.12 0.00 2.01 0.00 0.00 34.83 33.62 2pns s MET 187 CO 0.11 0.19 1.42 1.17 -0.01 0.00 0.00 175.02 177.89 2pns n LYS 188 N 3.70 2.44 -3.04 2.03 4.81 -0.59 -0.26 118.16 127.24 2pns n LYS 188 Ca -0.17 0.86 -0.43 0.00 -0.87 0.00 0.00 58.31 57.70 2pns n LYS 188 Cb 0.52 -2.53 -0.06 0.00 0.02 0.00 0.00 35.03 32.98 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 -1.84 3.42 0.00 1.64 0.52 -0.59 -4.42 118.95 117.69 2pns s ARG 189 Ca 0.55 -0.16 0.07 0.00 -0.52 0.00 0.00 55.73 55.67 2pns s ARG 189 Cb -0.52 -3.91 0.09 0.00 0.52 0.00 0.00 34.95 31.12 2pns s ARG 189 CO 0.62 -1.00 0.83 1.33 0.02 0.00 0.00 175.30 177.09 2pns n VAL 190 N 5.92 0.25 -3.46 3.52 0.24 -1.26 -4.91 118.33 118.63 2pns n VAL 190 Ca 0.00 -0.63 0.01 0.00 -2.04 0.00 0.00 64.34 61.68 2pns n VAL 190 Cb 0.48 0.98 -0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.31 -1.95 7.00 7.63 0.00 -1.26 -4.90 105.19 112.02 2pns n GLY 191 Ca 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.29 2.81 0.33 -0.02 0.00 -1.26 -1.15 105.19 105.61 2pns n GLY 192 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 0.85 -2.32 3.72 0.00 0.00 -0.30 -1.07 105.19 106.06 2pns n GLY 194 Ca 0.09 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.73 4.37 -1.99 0.99 2.96 -1.26 -0.62 118.68 119.40 2pns s LEU 195 Ca 0.00 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 2pns s LEU 195 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2pns s LEU 195 CO 0.00 -0.96 0.00 0.00 -1.32 0.00 0.00 176.35 174.07 2pns n GLY 197 N -0.43 0.45 0.31 0.00 0.00 0.21 -1.21 105.19 104.53 2pns n GLY 197 Ca -0.20 -0.50 0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 0.42 -0.37 -0.61 2.10 -1.23 -1.68 117.51 116.14 2pns h ILE 198 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2pns h ILE 198 Cb 0.97 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2pns h ILE 198 CO 0.29 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.36 2pns n ALA 199 N -2.28 2.45 0.01 0.18 0.00 -0.24 -4.45 120.51 116.18 2pns n ALA 199 Ca -0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 53.44 52.49 2pns n ALA 199 Cb 0.14 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 3.43 0.53 -1.40 0.00 3.08 -1.32 0.19 114.38 118.89 2pns h ARG 200 Ca 0.00 -0.33 -0.41 0.00 0.07 0.00 0.00 59.98 59.32 2pns h ARG 200 Cb 0.76 0.03 -0.28 0.00 0.08 0.00 0.00 29.97 30.56 2pns h ARG 200 CO 0.00 0.93 -0.81 -0.11 -1.07 0.00 0.00 179.97 178.91 2pns n LEU 201 N -3.96 -1.43 -4.87 3.04 7.94 -1.26 -4.50 117.00 111.95 2pns n LEU 201 Ca -0.03 -3.94 -0.34 0.00 -1.11 0.00 0.00 56.01 50.59 2pns n LEU 201 Cb 0.59 0.69 -0.05 0.00 0.53 0.00 0.00 43.42 45.18 2pns n LEU 201 CO 0.46 1.98 0.07 -2.84 -1.11 0.00 0.00 177.39 175.95 2pns s PRO 202 N -0.04 3.74 0.07 1.96 0.02 -1.26 -3.88 135.00 135.62 2pns s PRO 202 Ca 0.33 0.14 -0.08 0.00 0.02 0.00 0.00 61.00 61.40 2pns s PRO 202 Cb 0.12 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.66 2pns s PRO 202 CO -0.16 0.55 0.18 0.71 -0.33 0.00 0.00 177.00 177.96 2pns s TYR 203 N -1.42 0.14 -0.03 6.54 1.51 -0.67 -1.01 117.35 122.41 2pns s TYR 203 Ca 0.34 -0.52 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 2pns s TYR 203 Cb -0.14 -0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.67 2pns s TYR 203 CO 0.18 -0.50 0.32 1.52 -1.11 0.00 0.00 175.55 175.97 2pns s TYR 204 N -3.47 -0.22 0.54 2.71 -0.85 -0.63 -0.61 117.35 114.80 2pns s TYR 204 Ca 0.02 0.39 -0.13 0.00 -0.52 0.00 0.00 57.07 56.83 2pns s TYR 204 Cb 0.03 0.11 -0.06 0.00 0.38 0.00 0.00 41.96 42.42 2pns s TYR 204 CO -0.09 -0.36 0.96 -1.25 -1.52 0.00 0.00 175.55 173.29 2pns s PRO 205 N -1.08 3.77 0.14 -3.49 0.04 -1.26 -0.93 135.00 132.18 2pns s PRO 205 Ca -0.11 0.76 0.11 0.00 0.04 0.00 0.00 61.00 61.79 2pns s PRO 205 Cb -0.05 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2pns s PRO 205 CO 0.04 -0.35 -0.26 0.95 0.04 0.00 0.00 177.00 177.42 2pns s THR 206 N -2.81 2.23 -0.27 1.26 -4.23 0.28 -4.85 115.64 107.25 2pns s THR 206 Ca 0.56 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2pns s THR 206 Cb -0.10 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 71.89 2pns s THR 206 CO 0.41 0.05 0.55 -0.75 -0.54 0.00 0.00 174.62 174.34 2pns s LYS 207 N -2.13 0.49 0.00 3.99 2.20 -1.26 -1.10 119.74 121.93 2pns s LYS 207 Ca 0.14 1.09 0.03 0.00 -0.36 0.00 0.00 55.97 56.87 2pns s LYS 207 Cb -0.10 0.45 0.16 0.00 -1.51 0.00 0.00 37.83 36.83 2pns s LYS 207 CO 0.06 -0.42 0.64 0.00 -0.36 0.00 0.00 175.35 175.28