#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 h ARG 2 N 0.00 0.10 0.00 0.00 -0.00 -1.77 -3.33 114.38 109.39 1vs7 h ARG 2 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1vs7 h ARG 2 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.95 1vs7 h ARG 2 CO 0.00 0.07 0.00 -0.89 0.00 0.00 0.00 179.97 179.15 1vs7 n ILE 3 N -4.51 0.00 0.53 2.04 5.41 -1.26 0.39 119.36 121.96 1vs7 n ILE 3 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.81 1vs7 n ILE 3 Cb 0.17 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.06 1vs7 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs7 n ALA 4 N 3.50 3.29 0.00 -1.39 0.00 -1.26 -4.98 120.51 119.67 1vs7 n ALA 4 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1vs7 n ALA 4 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1vs7 n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 5 N 1.17 1.94 5.00 0.00 0.00 0.16 -4.97 105.19 108.49 1vs7 n GLY 5 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1vs7 n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vs7 n ILE 6 N 0.00 0.00 -0.86 -0.61 -0.00 -1.21 -4.85 119.36 111.83 1vs7 n ILE 6 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.55 1vs7 n ILE 6 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.54 1vs7 n ILE 6 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1vs7 n ASN 7 N 1.04 -0.17 -3.94 4.38 5.03 -1.23 -4.39 115.26 115.98 1vs7 n ASN 7 Ca 0.00 -0.04 -0.30 0.00 0.87 0.00 0.00 54.58 55.11 1vs7 n ASN 7 Cb 0.00 -0.46 -0.10 0.00 -1.02 0.00 0.00 39.78 38.20 1vs7 n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1vs7 n ILE 8 N 3.93 2.05 -1.97 2.41 -5.35 -1.25 -4.21 119.36 114.97 1vs7 n ILE 8 Ca 0.38 -4.96 -0.24 0.00 -0.27 0.00 0.00 62.75 57.66 1vs7 n ILE 8 Cb 0.04 -2.23 -0.05 0.00 -1.74 0.00 0.00 39.64 35.65 1vs7 n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1vs7 s PRO 9 N -1.51 2.38 -0.01 6.28 0.04 -1.26 -4.88 135.00 136.05 1vs7 s PRO 9 Ca 0.26 -0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.13 1vs7 s PRO 9 Cb -0.04 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 1vs7 s PRO 9 CO -0.15 -3.59 -0.00 -0.51 0.04 0.00 0.00 177.00 172.78 1vs7 s ASP 10 N 8.47 5.10 -0.88 6.66 1.01 -1.26 -4.54 116.67 131.22 1vs7 s ASP 10 Ca 0.74 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.99 1vs7 s ASP 10 Cb -0.08 -1.33 0.00 0.00 1.01 0.00 0.00 42.92 42.52 1vs7 s ASP 10 CO 0.01 0.29 0.00 1.57 0.21 0.00 0.00 175.17 177.25 1vs7 n HIS 11 N 1.45 0.00 -3.79 4.23 -0.00 -1.26 -5.01 115.22 110.84 1vs7 n HIS 11 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1vs7 n HIS 11 Cb 0.53 -1.72 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 1vs7 n HIS 11 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1vs7 n LYS 12 N -2.57 2.00 -3.56 1.57 4.81 -1.26 -5.01 118.16 114.13 1vs7 n LYS 12 Ca -0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.03 1vs7 n LYS 12 Cb 0.30 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 1vs7 n LYS 12 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1vs7 s HIS 13 N -0.60 3.50 0.02 5.64 3.76 -1.26 -2.83 115.29 123.52 1vs7 s HIS 13 Ca 0.00 0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1vs7 s HIS 13 Cb 0.00 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1vs7 s HIS 13 CO 0.00 0.41 1.06 0.00 -0.85 0.00 0.00 174.74 175.37 1vs7 h ALA 14 N 3.03 -0.23 -0.03 -1.40 0.00 -1.44 0.19 119.26 119.38 1vs7 h ALA 14 Ca -0.47 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1vs7 h ALA 14 Cb 1.17 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1vs7 h ALA 14 CO 0.70 -0.27 -0.16 -0.39 0.00 0.00 0.00 179.25 179.12 1vs7 h VAL 15 N -0.03 0.00 0.00 0.00 -1.51 -1.86 -0.85 116.25 112.01 1vs7 h VAL 15 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1vs7 h VAL 15 Cb 0.06 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.22 1vs7 h VAL 15 CO -0.09 0.00 0.25 -0.29 -1.23 0.00 0.00 177.57 176.21 1vs7 h ILE 16 N -0.18 0.00 0.01 7.19 2.10 -1.90 -1.98 117.51 122.74 1vs7 h ILE 16 Ca 0.01 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.95 1vs7 h ILE 16 Cb 0.21 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1vs7 h ILE 16 CO -0.12 0.00 -0.00 0.00 -1.08 0.00 0.00 178.15 176.94 1vs7 h ALA 17 N 1.48 -0.01 0.00 0.18 0.00 0.66 -3.31 119.26 118.27 1vs7 h ALA 17 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1vs7 h ALA 17 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vs7 h ALA 17 CO 0.00 -0.02 -0.00 1.25 0.00 0.00 0.00 179.25 180.48 1vs7 h LEU 18 N -0.99 0.00 -1.11 0.00 6.46 -0.47 -0.90 115.31 118.31 1vs7 h LEU 18 Ca -0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1vs7 h LEU 18 Cb 0.75 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1vs7 h LEU 18 CO 0.00 0.00 -0.00 0.71 -0.62 0.00 0.00 178.44 178.53 1vs7 h THR 19 N 0.00 1.22 0.00 1.05 1.35 -1.55 -2.11 112.91 112.87 1vs7 h THR 19 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1vs7 h THR 19 Cb 0.01 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1vs7 h THR 19 CO 0.00 0.30 0.16 0.28 -0.25 0.00 0.00 175.52 176.01 1vs7 h SER 20 N 0.59 0.00 0.00 5.36 0.02 -1.27 -3.11 113.55 115.14 1vs7 h SER 20 Ca 0.12 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1vs7 h SER 20 Cb 0.37 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1vs7 h SER 20 CO 0.01 0.00 -0.14 -0.38 -1.14 0.00 0.00 176.83 175.19 1vs7 n ILE 21 N -2.32 2.13 0.00 3.27 5.41 -0.79 -4.86 119.36 122.19 1vs7 n ILE 21 Ca -0.01 -1.04 0.00 0.00 1.00 0.00 0.00 62.75 62.70 1vs7 n ILE 21 Cb 0.19 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 1vs7 n ILE 21 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1vs7 n TYR 22 N 2.56 0.00 -0.34 1.39 4.02 -1.18 -1.56 117.16 122.06 1vs7 n TYR 22 Ca 0.29 0.00 0.27 0.00 -0.01 0.00 0.00 57.90 58.45 1vs7 n TYR 22 Cb 0.65 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 40.39 1vs7 n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vs7 n GLY 23 N 0.00 -0.52 3.88 2.72 0.00 -1.26 -4.38 105.19 105.63 1vs7 n GLY 23 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1vs7 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vs7 s VAL 24 N -4.28 5.21 0.19 1.61 -7.23 -0.60 -4.91 120.40 110.38 1vs7 s VAL 24 Ca -0.03 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 1vs7 s VAL 24 Cb 0.16 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.61 1vs7 s VAL 24 CO 0.48 0.21 0.05 0.61 -0.31 0.00 0.00 175.10 176.14 1vs7 n GLY 25 N 0.57 3.64 0.22 2.32 0.00 -1.26 -4.71 105.19 105.97 1vs7 n GLY 25 Ca -0.08 -2.25 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 1vs7 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vs7 h LYS 26 N 0.00 -0.23 -1.14 1.61 1.79 -1.96 0.10 116.57 116.74 1vs7 h LYS 26 Ca -0.15 0.02 0.32 0.00 -2.18 0.00 0.00 60.65 58.66 1vs7 h LYS 26 Cb 0.47 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.08 1vs7 h LYS 26 CO 0.24 -0.15 0.75 1.15 -1.08 0.00 0.00 179.45 180.36 1vs7 h THR 27 N -0.24 0.41 0.14 -0.16 2.02 -1.99 -0.04 112.91 113.05 1vs7 h THR 27 Ca 0.03 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 66.91 1vs7 h THR 27 Cb 0.31 0.14 0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1vs7 h THR 27 CO -0.25 0.05 -0.90 0.03 0.37 0.00 0.00 175.52 174.82 1vs7 h ARG 28 N 0.25 0.37 -0.36 6.66 3.08 -1.74 -2.85 114.38 119.80 1vs7 h ARG 28 Ca 0.64 -0.58 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1vs7 h ARG 28 Cb 1.89 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 32.10 1vs7 h ARG 28 CO -0.26 1.26 0.07 0.77 -1.07 0.00 0.00 179.97 180.73 1vs7 h SER 29 N -0.22 -0.00 1.73 7.04 0.02 0.10 0.18 113.55 122.40 1vs7 h SER 29 Ca -0.15 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1vs7 h SER 29 Cb 1.68 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 1vs7 h SER 29 CO 0.17 0.04 -0.28 0.50 -1.14 0.00 0.00 176.83 176.12 1vs7 h LYS 30 N 0.18 0.00 -0.02 3.45 3.64 -1.45 -2.33 116.57 120.05 1vs7 h LYS 30 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1vs7 h LYS 30 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1vs7 h LYS 30 CO -0.23 0.22 -0.10 0.00 -2.27 0.00 0.00 179.45 177.08 1vs7 n ALA 31 N -2.16 2.73 -0.06 5.00 0.00 -1.01 -3.86 120.51 121.15 1vs7 n ALA 31 Ca 0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 53.44 52.86 1vs7 n ALA 31 Cb 0.63 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 1vs7 n ALA 31 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1vs7 n ILE 32 N 0.37 0.74 0.08 0.00 3.06 0.60 -4.18 119.36 120.04 1vs7 n ILE 32 Ca 0.15 -0.38 -0.03 0.00 -2.50 0.00 0.00 62.75 59.99 1vs7 n ILE 32 Cb 0.44 -0.83 -0.02 0.00 0.54 0.00 0.00 39.64 39.77 1vs7 n ILE 32 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1vs7 h LEU 33 N 0.00 -0.19 -1.26 9.51 3.38 -1.58 -1.25 115.31 123.92 1vs7 h LEU 33 Ca -0.29 0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.85 1vs7 h LEU 33 Cb 1.57 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.29 1vs7 h LEU 33 CO -0.01 -0.09 0.59 0.00 0.09 0.00 0.00 178.44 179.02 1vs7 h ALA 34 N -1.81 1.88 0.00 1.53 0.00 -1.64 0.65 119.26 119.86 1vs7 h ALA 34 Ca -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vs7 h ALA 34 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1vs7 h ALA 34 CO 0.04 -0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 1vs7 h ALA 35 N 1.61 1.48 -0.02 0.00 0.00 -1.72 -0.46 119.26 120.15 1vs7 h ALA 35 Ca 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1vs7 h ALA 35 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vs7 h ALA 35 CO -0.24 0.20 -0.19 0.00 0.00 0.00 0.00 179.25 179.03 1vs7 n ALA 36 N -2.40 2.92 -1.66 0.00 0.00 0.20 -4.95 120.51 114.63 1vs7 n ALA 36 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1vs7 n ALA 36 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1vs7 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 37 N 1.32 0.86 2.95 0.00 0.00 0.15 -4.97 105.19 105.51 1vs7 n GLY 37 Ca 0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1vs7 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vs7 s ILE 38 N -2.63 1.61 -0.94 -0.61 -1.09 -0.11 -4.95 121.20 112.48 1vs7 s ILE 38 Ca 0.00 -1.31 -0.25 0.00 -2.23 0.00 0.00 60.65 56.86 1vs7 s ILE 38 Cb 0.00 -1.88 -0.09 0.00 -1.58 0.00 0.00 42.46 38.92 1vs7 s ILE 38 CO 0.00 -0.13 2.06 0.00 -1.23 0.00 0.00 174.94 175.65 1vs7 s ALA 39 N 1.35 1.37 0.58 9.38 0.00 -1.26 -2.99 121.76 130.19 1vs7 s ALA 39 Ca -0.05 -1.45 0.34 0.00 0.00 0.00 0.00 51.96 50.80 1vs7 s ALA 39 Cb -0.19 -4.59 1.35 0.00 0.00 0.00 0.00 23.12 19.69 1vs7 s ALA 39 CO -0.07 -5.30 1.60 1.05 0.00 0.00 0.00 175.76 173.05 1vs7 h GLU 40 N 11.37 0.00 0.00 0.00 -0.00 -1.94 0.15 114.58 124.15 1vs7 h GLU 40 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.45 1vs7 h GLU 40 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.74 1vs7 h GLU 40 CO 1.15 0.00 0.20 -0.44 -0.00 0.00 0.00 179.01 179.92 1vs7 h ASP 41 N 0.00 0.00 -0.69 3.06 3.45 -2.00 -3.28 116.42 116.96 1vs7 h ASP 41 Ca 0.53 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.99 1vs7 h ASP 41 Cb 2.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.31 1vs7 h ASP 41 CO -0.01 0.00 0.00 1.33 -1.57 0.00 0.00 179.24 178.99 1vs7 n VAL 42 N -2.93 0.00 -1.68 -1.35 0.24 0.53 -4.92 118.33 108.22 1vs7 n VAL 42 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1vs7 n VAL 42 Cb 0.26 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 1vs7 n VAL 42 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vs7 n LYS 43 N 0.00 3.85 0.00 7.34 5.02 -1.26 -2.03 118.16 131.08 1vs7 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vs7 n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1vs7 n LYS 43 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1vs7 n ILE 44 N 0.00 0.00 -0.34 -0.18 -6.64 -1.13 -3.48 119.36 107.59 1vs7 n ILE 44 Ca 0.00 -0.43 0.10 0.00 -1.77 0.00 0.00 62.75 60.65 1vs7 n ILE 44 Cb 0.00 1.11 0.28 0.00 -1.44 0.00 0.00 39.64 39.59 1vs7 n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1vs7 n SER 45 N -0.15 3.72 -0.03 7.28 7.64 -1.26 -4.28 113.62 126.54 1vs7 n SER 45 Ca 0.00 -2.05 0.06 0.00 1.01 0.00 0.00 58.87 57.89 1vs7 n SER 45 Cb 0.03 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 1vs7 n SER 45 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1vs7 n GLU 46 N 1.25 2.82 -4.17 1.43 -0.00 -1.26 -4.99 120.64 115.72 1vs7 n GLU 46 Ca 0.21 -0.08 -0.33 0.00 -0.00 0.00 0.00 57.16 56.96 1vs7 n GLU 46 Cb 0.59 -1.09 -0.08 0.00 -0.00 0.00 0.00 31.44 30.86 1vs7 n GLU 46 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1vs7 s LEU 47 N -2.50 3.73 0.99 -1.84 2.34 -1.26 -5.10 118.68 115.05 1vs7 s LEU 47 Ca 0.05 0.07 -0.13 0.00 0.06 0.00 0.00 54.13 54.19 1vs7 s LEU 47 Cb 0.09 -2.17 0.18 0.00 -0.56 0.00 0.00 46.19 43.73 1vs7 s LEU 47 CO 0.49 0.27 1.12 -0.44 -1.06 0.00 0.00 176.35 176.72 1vs7 s SER 48 N -1.69 2.77 0.00 1.48 0.01 -1.26 -4.86 113.70 110.15 1vs7 s SER 48 Ca 0.22 1.02 0.06 0.00 1.31 0.00 0.00 55.95 58.56 1vs7 s SER 48 Cb -0.12 -1.61 0.37 0.00 0.21 0.00 0.00 66.02 64.87 1vs7 s SER 48 CO 0.13 -3.02 0.77 1.21 0.41 0.00 0.00 173.24 172.74 1vs7 n GLU 49 N -4.08 0.37 -0.03 12.44 4.07 -1.26 -2.51 120.64 129.65 1vs7 n GLU 49 Ca 0.06 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.95 1vs7 n GLU 49 Cb 0.58 -1.25 -0.13 0.00 -0.06 0.00 0.00 31.44 30.58 1vs7 n GLU 49 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1vs7 h GLY 50 N 2.06 0.19 0.67 8.31 0.00 -2.00 -3.28 103.07 109.02 1vs7 h GLY 50 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1vs7 h GLY 50 CO 0.00 0.41 -0.06 1.46 0.00 0.00 0.00 176.54 178.35 1vs7 h GLN 51 N -0.45 -0.17 -0.89 4.80 7.50 -1.84 -2.32 115.11 121.74 1vs7 h GLN 51 Ca -0.35 0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.01 1vs7 h GLN 51 Cb 1.67 0.04 -0.06 0.00 0.05 0.00 0.00 27.48 29.17 1vs7 h GLN 51 CO -0.03 0.15 0.59 0.97 -1.50 0.00 0.00 178.83 179.01 1vs7 h ILE 52 N -0.50 0.69 -0.20 2.54 6.09 -1.76 -0.50 117.51 123.87 1vs7 h ILE 52 Ca -0.02 -0.14 -0.12 0.00 -1.37 0.00 0.00 64.86 63.21 1vs7 h ILE 52 Cb 0.40 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 37.94 1vs7 h ILE 52 CO 0.03 0.07 -0.34 -0.78 -3.07 0.00 0.00 178.15 174.07 1vs7 h ASP 53 N 0.41 0.64 0.05 2.19 -0.00 -1.58 -2.82 116.42 115.32 1vs7 h ASP 53 Ca 0.46 -0.53 -0.01 0.00 -0.00 0.00 0.00 57.03 56.95 1vs7 h ASP 53 Cb 1.13 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 40.28 1vs7 h ASP 53 CO -0.17 1.05 -0.03 0.71 -0.00 0.00 0.00 179.24 180.80 1vs7 h THR 54 N 0.25 0.86 0.21 2.25 1.35 -0.57 -1.97 112.91 115.29 1vs7 h THR 54 Ca 0.01 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 1vs7 h THR 54 Cb 0.93 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1vs7 h THR 54 CO 0.08 0.03 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.21 1vs7 h LEU 55 N 0.00 -0.23 -0.58 3.87 3.38 -1.02 -2.89 115.31 117.82 1vs7 h LEU 55 Ca -0.00 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1vs7 h LEU 55 Cb 0.07 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 1vs7 h LEU 55 CO 0.00 -0.15 -0.15 0.03 0.09 0.00 0.00 178.44 178.27 1vs7 h ARG 56 N -0.30 -0.00 -1.21 1.13 3.08 -1.26 0.35 114.38 116.17 1vs7 h ARG 56 Ca -0.03 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.37 1vs7 h ARG 56 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1vs7 h ARG 56 CO 0.05 -0.00 0.86 0.22 -1.07 0.00 0.00 179.97 180.02 1vs7 h ASP 57 N -0.00 0.05 0.00 7.04 3.58 -1.41 1.24 116.42 126.92 1vs7 h ASP 57 Ca 0.28 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.59 1vs7 h ASP 57 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1vs7 h ASP 57 CO -0.60 0.00 -1.07 1.21 -2.88 0.00 0.00 179.24 175.90 1vs7 n GLU 58 N -4.22 0.52 -0.02 0.28 4.07 0.10 -3.68 120.64 117.69 1vs7 n GLU 58 Ca 0.26 0.51 -0.13 0.00 -0.06 0.00 0.00 57.16 57.75 1vs7 n GLU 58 Cb 1.24 -1.69 -0.09 0.00 -0.06 0.00 0.00 31.44 30.85 1vs7 n GLU 58 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1vs7 h VAL 59 N -1.00 1.34 -0.56 6.31 3.04 -0.35 -3.15 116.25 121.87 1vs7 h VAL 59 Ca -0.23 -1.03 0.01 0.00 -1.01 0.00 0.00 66.70 64.44 1vs7 h VAL 59 Cb 1.01 1.96 -0.03 0.00 -2.01 0.00 0.00 31.29 32.22 1vs7 h VAL 59 CO -0.14 0.28 0.37 0.00 -1.01 0.00 0.00 177.57 177.07 1vs7 h ALA 60 N 0.59 0.71 0.00 3.17 0.00 0.14 -1.46 119.26 122.41 1vs7 h ALA 60 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vs7 h ALA 60 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vs7 h ALA 60 CO 0.01 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1vs7 n LYS 61 N -4.69 0.12 0.00 0.00 5.02 -1.19 -4.36 118.16 113.05 1vs7 n LYS 61 Ca 0.04 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1vs7 n LYS 61 Cb 0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.18 1vs7 n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vs7 n PHE 62 N -2.09 0.00 -3.52 2.13 7.35 -0.55 -5.07 117.46 115.71 1vs7 n PHE 62 Ca -0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1vs7 n PHE 62 Cb 0.07 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.79 1vs7 n PHE 62 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1vs7 s VAL 63 N 0.10 -0.49 0.26 -2.13 1.01 -1.26 -5.09 120.40 112.81 1vs7 s VAL 63 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1vs7 s VAL 63 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1vs7 s VAL 63 CO 0.00 -0.05 0.17 0.68 0.00 0.00 0.00 175.10 175.90 1vs7 s VAL 64 N 2.46 0.13 0.00 2.92 -7.23 -1.26 -4.73 120.40 112.68 1vs7 s VAL 64 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1vs7 s VAL 64 Cb -0.14 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1vs7 s VAL 64 CO -0.12 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.05 1vs7 n GLU 65 N -0.44 0.00 0.00 4.82 -0.58 -1.26 -2.25 120.64 120.92 1vs7 n GLU 65 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1vs7 n GLU 65 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 1vs7 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vs7 n GLY 66 N 0.00 -3.36 0.31 0.62 0.00 -1.26 0.31 105.19 101.81 1vs7 n GLY 66 Ca 0.00 0.67 0.13 0.00 0.00 0.00 0.00 46.02 46.82 1vs7 n GLY 66 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1vs7 h ASP 67 N 0.00 0.03 0.58 1.61 1.82 -1.94 0.32 116.42 118.84 1vs7 h ASP 67 Ca 0.00 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1vs7 h ASP 67 Cb 0.00 0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.27 1vs7 h ASP 67 CO 0.00 -0.14 -0.28 0.25 -1.61 0.00 0.00 179.24 177.46 1vs7 h LEU 68 N 0.23 -0.66 -1.92 2.28 6.46 -0.94 -2.46 115.31 118.30 1vs7 h LEU 68 Ca 0.55 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.53 1vs7 h LEU 68 Cb 1.10 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 1vs7 h LEU 68 CO -0.64 -0.26 0.60 0.03 -0.62 0.00 0.00 178.44 177.55 1vs7 h ARG 69 N -1.21 0.00 -0.10 1.25 2.47 0.30 0.25 114.38 117.35 1vs7 h ARG 69 Ca -0.08 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.43 1vs7 h ARG 69 Cb 0.60 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1vs7 h ARG 69 CO 0.13 0.00 -0.77 -0.09 0.56 0.00 0.00 179.97 179.80 1vs7 h ARG 70 N 0.00 0.70 0.55 0.04 2.43 -0.88 -3.03 114.38 114.19 1vs7 h ARG 70 Ca 0.33 -0.62 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 1vs7 h ARG 70 Cb 1.52 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1vs7 h ARG 70 CO -0.00 1.23 -0.27 0.93 -1.51 0.00 0.00 179.97 180.35 1vs7 h GLU 71 N 0.38 -0.72 -0.37 0.20 4.39 -0.04 0.39 114.58 118.81 1vs7 h GLU 71 Ca -0.07 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1vs7 h GLU 71 Cb 1.42 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 1vs7 h GLU 71 CO 0.16 -0.42 0.46 0.97 -1.16 0.00 0.00 179.01 179.02 1vs7 h ILE 72 N -0.93 0.31 0.17 3.13 2.10 -1.46 0.29 117.51 121.12 1vs7 h ILE 72 Ca -0.08 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.57 1vs7 h ILE 72 Cb 0.63 0.62 0.01 0.00 -1.09 0.00 0.00 36.82 37.00 1vs7 h ILE 72 CO 0.12 0.00 -1.43 0.28 -1.08 0.00 0.00 178.15 176.05 1vs7 h SER 73 N 0.00 0.57 -0.32 2.19 0.02 -1.35 -3.23 113.55 111.42 1vs7 h SER 73 Ca 0.18 -0.91 0.04 0.00 -0.84 0.00 0.00 61.79 60.26 1vs7 h SER 73 Cb 1.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1vs7 h SER 73 CO -0.00 1.65 0.22 0.24 -1.14 0.00 0.00 176.83 177.80 1vs7 h MET 74 N -0.10 0.25 0.50 3.45 2.86 0.17 0.04 114.93 122.11 1vs7 h MET 74 Ca -0.28 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1vs7 h MET 74 Cb 1.93 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.54 1vs7 h MET 74 CO 0.16 0.17 -0.24 0.66 1.06 0.00 0.00 176.91 178.71 1vs7 h SER 75 N 0.26 -0.57 -0.54 1.22 4.64 -1.24 0.43 113.55 117.75 1vs7 h SER 75 Ca 0.14 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1vs7 h SER 75 Cb 0.22 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 1vs7 h SER 75 CO -0.03 -0.17 0.24 0.40 -0.87 0.00 0.00 176.83 176.40 1vs7 h ILE 76 N -1.08 0.88 -0.64 0.95 2.04 -1.52 -1.10 117.51 117.04 1vs7 h ILE 76 Ca -0.07 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1vs7 h ILE 76 Cb 0.59 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1vs7 h ILE 76 CO 0.11 0.08 0.27 0.11 0.00 0.00 0.00 178.15 178.73 1vs7 h LYS 77 N 0.46 0.94 -0.30 2.37 1.57 -1.02 0.28 116.57 120.86 1vs7 h LYS 77 Ca 0.25 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1vs7 h LYS 77 Cb 0.23 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1vs7 h LYS 77 CO -0.22 0.78 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.23 1vs7 h ARG 78 N 0.89 -0.07 0.00 3.15 1.12 0.10 -1.87 114.38 117.71 1vs7 h ARG 78 Ca 0.22 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.96 1vs7 h ARG 78 Cb 0.18 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1vs7 h ARG 78 CO -0.02 -0.04 -0.62 1.37 -3.11 0.00 0.00 179.97 177.55 1vs7 h LEU 79 N -0.07 0.00 -2.84 3.80 8.10 -1.06 -3.06 115.31 120.17 1vs7 h LEU 79 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.14 1vs7 h LEU 79 Cb 0.30 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1vs7 h LEU 79 CO -0.35 0.62 0.03 -0.03 -4.11 0.00 0.00 178.44 174.60 1vs7 h MET 80 N 0.00 0.00 -0.22 0.17 4.05 0.38 0.11 114.93 119.42 1vs7 h MET 80 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1vs7 h MET 80 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1vs7 h MET 80 CO 0.08 0.00 0.00 -0.40 0.23 0.00 0.00 176.91 176.82 1vs7 n ASP 81 N -3.18 3.12 -0.38 1.39 3.85 -1.06 -4.44 116.55 115.84 1vs7 n ASP 81 Ca -0.03 -2.54 0.10 0.00 -0.71 0.00 0.00 54.79 51.61 1vs7 n ASP 81 Cb 0.10 -0.35 -0.03 0.00 -1.35 0.00 0.00 41.12 39.49 1vs7 n ASP 81 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1vs7 n LEU 82 N -0.27 1.76 -0.03 -2.12 4.77 0.38 -4.96 117.00 116.53 1vs7 n LEU 82 Ca 0.15 -0.71 -0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1vs7 n LEU 82 Cb 0.62 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1vs7 n LEU 82 CO 0.09 0.34 -0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1vs7 n GLY 83 N 1.40 0.35 3.86 -0.72 0.00 -1.23 -5.00 105.19 103.85 1vs7 n GLY 83 Ca 0.08 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1vs7 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs7 h TYR 85 N -0.12 0.66 0.56 0.00 3.20 -1.94 -0.32 116.97 119.00 1vs7 h TYR 85 Ca -0.44 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 1vs7 h TYR 85 Cb 1.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1vs7 h TYR 85 CO 0.65 -0.08 -0.43 0.00 -1.64 0.00 0.00 178.16 176.66 1vs7 h ARG 86 N 0.37 -0.93 0.02 1.82 3.08 -1.92 0.31 114.38 117.13 1vs7 h ARG 86 Ca 0.58 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.72 1vs7 h ARG 86 Cb 1.15 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 1vs7 h ARG 86 CO -0.55 -0.62 -0.19 0.78 -1.07 0.00 0.00 179.97 178.32 1vs7 h GLY 87 N -0.97 -0.27 0.22 0.04 0.00 -1.34 0.38 103.07 101.14 1vs7 h GLY 87 Ca -0.07 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.61 1vs7 h GLY 87 CO 0.01 -0.17 0.24 1.41 0.00 0.00 0.00 176.54 178.03 1vs7 h LEU 88 N -0.31 0.20 -1.06 3.11 3.38 -1.01 0.49 115.31 120.10 1vs7 h LEU 88 Ca 0.05 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1vs7 h LEU 88 Cb 0.37 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1vs7 h LEU 88 CO -0.16 0.09 -0.26 0.03 0.09 0.00 0.00 178.44 178.23 1vs7 h ARG 89 N 0.40 0.35 -0.07 1.13 2.47 0.40 -2.90 114.38 116.15 1vs7 h ARG 89 Ca 0.36 -0.12 -0.16 0.00 -1.26 0.00 0.00 59.98 58.80 1vs7 h ARG 89 Cb 0.52 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1vs7 h ARG 89 CO -0.38 0.59 -0.65 0.45 0.56 0.00 0.00 179.97 180.54 1vs7 h HIS 90 N 0.31 0.36 -0.01 3.04 3.86 0.19 -2.62 115.15 120.28 1vs7 h HIS 90 Ca 0.05 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1vs7 h HIS 90 Cb 0.63 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1vs7 h HIS 90 CO 0.01 0.85 -0.12 2.89 0.86 0.00 0.00 177.93 182.43 1vs7 n ARG 91 N -3.85 1.02 -0.40 2.45 -4.01 -0.43 -3.31 116.66 108.13 1vs7 n ARG 91 Ca -0.03 -0.48 0.08 0.00 -1.04 0.00 0.00 57.85 56.38 1vs7 n ARG 91 Cb 0.65 -1.49 0.27 0.00 -3.04 0.00 0.00 32.46 28.85 1vs7 n ARG 91 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1vs7 n ARG 92 N -0.57 3.17 -1.73 2.89 5.12 -1.10 -4.95 116.66 119.48 1vs7 n ARG 92 Ca 0.16 -2.56 -0.12 0.00 -1.93 0.00 0.00 57.85 53.40 1vs7 n ARG 92 Cb 0.30 -1.62 -0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1vs7 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vs7 n GLY 93 N 0.71 0.57 3.68 -0.13 0.00 -1.21 -4.94 105.19 103.86 1vs7 n GLY 93 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1vs7 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs7 s LEU 94 N -4.28 3.35 0.77 0.99 1.43 -1.00 -2.87 118.68 117.07 1vs7 s LEU 94 Ca 0.00 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1vs7 s LEU 94 Cb 0.00 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.32 1vs7 s LEU 94 CO 0.00 0.05 1.23 -0.81 0.23 0.00 0.00 176.35 177.05 1vs7 n PRO 95 N -0.45 0.41 -0.00 1.29 -0.04 -1.26 -4.43 135.00 130.51 1vs7 n PRO 95 Ca -0.09 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1vs7 n PRO 95 Cb 0.56 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1vs7 n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vs7 n VAL 96 N -2.97 0.01 0.49 0.52 0.31 -1.26 -4.65 118.33 110.78 1vs7 n VAL 96 Ca 0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1vs7 n VAL 96 Cb 0.50 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 1vs7 n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vs7 n ARG 97 N -1.64 0.49 -0.83 5.55 3.00 -1.26 -4.71 116.66 117.25 1vs7 n ARG 97 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1vs7 n ARG 97 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.32 1vs7 n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs7 n GLY 98 N 0.52 0.23 3.72 -0.13 0.00 -1.26 -4.96 105.19 103.30 1vs7 n GLY 98 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1vs7 n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vs7 s GLN 99 N -1.04 2.13 -0.44 1.61 1.11 -1.26 -4.79 119.66 116.97 1vs7 s GLN 99 Ca 0.00 1.85 -0.28 0.00 0.01 0.00 0.00 55.36 56.94 1vs7 s GLN 99 Cb 0.00 -1.82 -0.08 0.00 -1.01 0.00 0.00 33.01 30.10 1vs7 s GLN 99 CO 0.00 -1.86 2.37 2.89 0.01 0.00 0.00 175.29 178.70 1vs7 n ARG 100 N -2.63 1.22 0.00 2.91 1.85 -1.26 -4.75 116.66 114.00 1vs7 n ARG 100 Ca 0.14 0.16 0.02 0.00 -1.00 0.00 0.00 57.85 57.17 1vs7 n ARG 100 Cb 0.50 -3.20 0.13 0.00 -1.05 0.00 0.00 32.46 28.83 1vs7 n ARG 100 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1vs7 n THR 101 N 7.86 0.00 0.00 8.89 -2.24 -1.26 -4.32 114.28 123.20 1vs7 n THR 101 Ca 0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1vs7 n THR 101 Cb 0.47 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1vs7 n THR 101 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vs7 n LYS 102 N -0.93 0.00 -1.76 -0.78 2.85 -1.26 -4.98 118.16 111.31 1vs7 n LYS 102 Ca 0.03 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.93 1vs7 n LYS 102 Cb 0.01 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.46 1vs7 n LYS 102 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1vs7 s THR 103 N 0.92 2.12 -0.11 0.58 -4.23 -1.26 -4.51 115.64 109.14 1vs7 s THR 103 Ca 0.00 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 1vs7 s THR 103 Cb 0.00 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1vs7 s THR 103 CO 0.00 -0.02 0.16 0.59 -0.54 0.00 0.00 174.62 174.81 1vs7 n ASN 104 N -1.92 -2.40 0.00 3.99 4.13 -1.26 -4.84 115.26 112.95 1vs7 n ASN 104 Ca 0.15 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.61 1vs7 n ASN 104 Cb 0.48 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 1vs7 n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vs7 n ALA 105 N 1.41 0.00 -0.07 5.41 0.00 -1.26 -4.83 120.51 121.16 1vs7 n ALA 105 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1vs7 n ALA 105 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1vs7 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h ARG 106 N 0.00 -0.46 -0.36 0.00 2.47 -1.95 0.31 114.38 114.39 1vs7 h ARG 106 Ca 0.00 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.85 1vs7 h ARG 106 Cb 0.00 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1vs7 h ARG 106 CO 0.00 -0.31 0.51 0.00 0.56 0.00 0.00 179.97 180.73 1vs7 h THR 107 N -0.48 0.23 0.00 2.04 1.03 -1.97 0.92 112.91 114.69 1vs7 h THR 107 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 1vs7 h THR 107 Cb 0.62 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 1vs7 h THR 107 CO -0.51 0.00 0.00 -1.14 -0.01 0.00 0.00 175.52 173.86 1vs7 n ARG 108 N -3.43 0.00 0.23 0.00 3.00 0.60 -4.78 116.66 112.28 1vs7 n ARG 108 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.76 1vs7 n ARG 108 Cb 0.66 -0.11 -0.08 0.00 0.00 0.00 0.00 32.46 32.93 1vs7 n ARG 108 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1vs7 h LYS 109 N 0.00 -0.52 0.00 -0.14 5.09 -0.41 -3.47 116.57 117.12 1vs7 h LYS 109 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1vs7 h LYS 109 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1vs7 h LYS 109 CO 0.00 -0.30 0.00 0.41 -2.09 0.00 0.00 179.45 177.47 1vs7 n GLY 110 N -1.10 0.49 3.61 0.07 0.00 0.32 -5.01 105.19 103.56 1vs7 n GLY 110 Ca -0.11 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 1vs7 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vs7 s PRO 111 N -0.67 -0.13 0.02 1.61 0.04 -1.26 -4.44 135.00 130.17 1vs7 s PRO 111 Ca 0.00 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 1vs7 s PRO 111 Cb 0.00 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 1vs7 s PRO 111 CO 0.00 -3.13 1.51 -0.98 0.04 0.00 0.00 177.00 174.43 1vs7 s ARG 112 N -4.79 4.24 0.00 4.56 3.03 -1.26 -5.11 118.95 119.62 1vs7 s ARG 112 Ca 0.67 2.11 0.24 0.00 2.03 0.00 0.00 55.73 60.78 1vs7 s ARG 112 Cb -0.21 -3.60 1.42 0.00 -1.03 0.00 0.00 34.95 31.54 1vs7 s ARG 112 CO 0.60 -0.65 1.79 1.63 -1.13 0.00 0.00 175.30 177.54