#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g7n h ASP 2 N 0.00 0.00 1.34 0.00 3.32 -2.02 0.61 116.42 119.67 1g7n h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g7n h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1g7n h ASP 2 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1g7n n ALA 3 N -2.51 2.24 0.23 3.45 0.00 -1.26 -3.53 120.51 119.14 1g7n n ALA 3 Ca 0.22 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1g7n n ALA 3 Cb 1.25 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 1g7n n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1g7n n PHE 4 N -2.12 0.36 -1.85 0.00 3.72 0.21 -4.97 117.46 112.81 1g7n n PHE 4 Ca 0.06 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.15 1g7n n PHE 4 Cb 0.40 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1g7n n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1g7n s VAL 5 N -3.36 2.25 -4.44 -4.37 1.01 -1.18 -4.57 120.40 105.74 1g7n s VAL 5 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1g7n s VAL 5 Cb 0.13 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1g7n s VAL 5 CO 0.84 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.59 1g7n n GLY 6 N 2.13 0.93 3.40 4.51 0.00 -0.63 -4.96 105.19 110.58 1g7n n GLY 6 Ca 0.08 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1g7n n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g7n s THR 7 N -1.64 3.36 -0.04 2.61 2.01 -1.26 -1.36 115.64 119.33 1g7n s THR 7 Ca 0.00 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1g7n s THR 7 Cb 0.00 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1g7n s THR 7 CO 0.00 0.50 -0.25 0.26 -0.69 0.00 0.00 174.62 174.44 1g7n s TRP 8 N 0.52 2.39 -0.06 4.92 0.52 0.86 -1.30 118.94 126.80 1g7n s TRP 8 Ca -0.06 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.55 1g7n s TRP 8 Cb -0.15 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1g7n s TRP 8 CO 0.03 -0.09 -0.11 -1.59 0.02 0.00 0.00 176.95 175.21 1g7n s LYS 9 N -0.45 2.67 0.12 4.98 -2.85 0.46 -1.09 119.74 123.58 1g7n s LYS 9 Ca 0.05 -0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 54.08 1g7n s LYS 9 Cb -0.11 -2.49 -0.08 0.00 -2.06 0.00 0.00 37.83 33.08 1g7n s LYS 9 CO 0.01 0.62 1.41 -1.17 0.10 0.00 0.00 175.35 176.32 1g7n s LEU 10 N -0.70 4.37 -0.09 2.77 2.96 -1.26 -1.25 118.68 125.48 1g7n s LEU 10 Ca 0.11 2.37 0.05 0.00 -0.22 0.00 0.00 54.13 56.44 1g7n s LEU 10 Cb -0.11 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 1g7n s LEU 10 CO 0.01 -0.67 -0.01 1.33 -1.32 0.00 0.00 176.35 175.68 1g7n n VAL 11 N 3.91 0.56 -3.67 1.68 0.24 -0.08 -4.93 118.33 116.04 1g7n n VAL 11 Ca 0.12 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 1g7n n VAL 11 Cb 0.42 -0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 31.90 1g7n n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1g7n s SER 12 N -4.32 -0.34 0.00 -1.34 1.04 -1.16 -5.02 113.70 102.56 1g7n s SER 12 Ca -0.07 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1g7n s SER 12 Cb 0.03 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1g7n s SER 12 CO 0.29 -0.57 -0.01 -0.55 0.98 0.00 0.00 173.24 173.39 1g7n s SER 13 N -1.53 0.09 -0.04 7.02 0.15 -1.26 -1.32 113.70 116.81 1g7n s SER 13 Ca -0.10 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1g7n s SER 13 Cb -0.02 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1g7n s SER 13 CO 0.03 -0.01 -0.00 -0.70 1.20 0.00 0.00 173.24 173.76 1g7n s GLU 14 N -0.12 0.40 -1.94 5.44 2.12 -0.06 -4.88 118.70 119.65 1g7n s GLU 14 Ca -0.01 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1g7n s GLU 14 Cb -0.01 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.76 1g7n s GLU 14 CO -0.00 -0.17 0.00 0.09 -0.54 0.00 0.00 175.26 174.64 1g7n n ASN 15 N 4.39 -5.07 -0.08 -1.70 3.02 -1.26 -1.82 115.26 112.73 1g7n n ASN 15 Ca -0.21 0.39 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1g7n n ASN 15 Cb 0.50 -4.47 0.12 0.00 -0.61 0.00 0.00 39.78 35.33 1g7n n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1g7n h PHE 16 N 0.00 0.83 -0.29 3.10 3.57 -1.89 -1.53 116.94 120.73 1g7n h PHE 16 Ca -0.40 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 60.82 1g7n h PHE 16 Cb 1.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1g7n h PHE 16 CO 0.54 0.86 -0.28 0.22 -2.23 0.00 0.00 178.31 177.42 1g7n h ASP 17 N 0.67 0.61 -0.21 0.41 1.82 -1.96 -1.50 116.42 116.26 1g7n h ASP 17 Ca 0.11 -0.23 -0.09 0.00 -0.39 0.00 0.00 57.03 56.43 1g7n h ASP 17 Cb 0.64 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 1g7n h ASP 17 CO 0.04 0.87 -0.17 0.44 -1.61 0.00 0.00 179.24 178.81 1g7n h ASP 18 N 0.52 0.63 -0.23 2.28 3.32 -1.89 -1.93 116.42 119.12 1g7n h ASP 18 Ca 0.07 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1g7n h ASP 18 Cb 0.75 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1g7n h ASP 18 CO 0.06 0.81 0.06 0.22 -1.72 0.00 0.00 179.24 178.67 1g7n h TYR 19 N 0.57 0.38 -0.49 4.55 3.20 -0.95 -2.49 116.97 121.74 1g7n h TYR 19 Ca 0.09 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1g7n h TYR 19 Cb 0.62 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1g7n h TYR 19 CO 0.03 0.45 0.28 0.52 -1.64 0.00 0.00 178.16 177.80 1g7n h MET 20 N 0.20 0.67 -0.60 1.82 2.86 -1.04 -1.90 114.93 116.93 1g7n h MET 20 Ca 0.07 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1g7n h MET 20 Cb 0.26 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1g7n h MET 20 CO -0.00 0.48 -0.03 0.87 1.06 0.00 0.00 176.91 179.29 1g7n h LYS 21 N 0.68 1.07 -0.16 1.72 1.57 -1.17 -0.85 116.57 119.44 1g7n h LYS 21 Ca 0.18 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1g7n h LYS 21 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1g7n h LYS 21 CO -0.03 1.06 -0.34 0.93 -0.57 0.00 0.00 179.45 180.50 1g7n h GLU 22 N 0.97 0.34 0.00 3.15 4.39 -0.97 -2.12 114.58 120.33 1g7n h GLU 22 Ca 0.17 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1g7n h GLU 22 Cb 0.60 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1g7n h GLU 22 CO 0.04 0.64 -0.24 0.28 -1.16 0.00 0.00 179.01 178.57 1g7n h VAL 23 N 0.29 0.61 0.00 3.13 2.07 -1.06 -3.47 116.25 117.81 1g7n h VAL 23 Ca 0.04 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1g7n h VAL 23 Cb 0.74 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1g7n h VAL 23 CO 0.06 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.49 1g7n n GLY 24 N 0.09 1.08 3.76 2.17 0.00 -0.65 -5.09 105.19 106.55 1g7n n GLY 24 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1g7n n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g7n s VAL 25 N -2.00 2.42 0.79 1.61 1.01 -0.42 -4.99 120.40 118.82 1g7n s VAL 25 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 1g7n s VAL 25 Cb 0.00 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.20 1g7n s VAL 25 CO 0.00 0.08 1.09 -0.83 0.00 0.00 0.00 175.10 175.44 1g7n s GLY 26 N 0.03 1.66 0.13 4.51 0.00 -1.26 -4.64 107.32 107.75 1g7n s GLY 26 Ca 0.55 0.20 -0.26 0.00 0.00 0.00 0.00 44.72 45.21 1g7n s GLY 26 CO 0.52 0.57 1.61 -2.75 0.00 0.00 0.00 173.10 173.04 1g7n h PHE 27 N -1.19 -0.93 -0.45 1.90 3.57 -1.99 0.04 116.94 117.89 1g7n h PHE 27 Ca -0.45 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.11 1g7n h PHE 27 Cb 1.24 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.38 1g7n h PHE 27 CO 0.55 -0.41 0.27 0.00 -2.23 0.00 0.00 178.31 176.49 1g7n h ALA 28 N 0.36 0.57 -0.82 2.41 0.00 -1.99 -0.81 119.26 118.97 1g7n h ALA 28 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1g7n h ALA 28 Cb 0.56 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1g7n h ALA 28 CO -0.35 -0.03 0.37 1.15 0.00 0.00 0.00 179.25 180.39 1g7n h THR 29 N 0.55 1.26 -0.66 0.00 2.02 -1.88 -1.53 112.91 112.67 1g7n h THR 29 Ca 0.18 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1g7n h THR 29 Cb -0.01 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1g7n h THR 29 CO -0.07 0.32 0.15 0.03 0.37 0.00 0.00 175.52 176.32 1g7n h ARG 30 N 1.18 1.06 0.15 6.66 3.08 -0.61 -1.29 114.38 124.61 1g7n h ARG 30 Ca 0.28 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1g7n h ARG 30 Cb 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1g7n h ARG 30 CO -0.03 0.94 -0.07 0.87 -1.07 0.00 0.00 179.97 180.61 1g7n h LYS 31 N 1.00 -0.19 -0.47 0.04 1.79 -0.52 -0.86 116.57 117.36 1g7n h LYS 31 Ca 0.21 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1g7n h LYS 31 Cb 0.37 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1g7n h LYS 31 CO 0.00 -0.01 -0.20 -0.24 -1.08 0.00 0.00 179.45 177.92 1g7n h VAL 32 N -0.33 1.27 -0.92 0.50 3.04 -1.28 -2.39 116.25 116.13 1g7n h VAL 32 Ca -0.02 -1.35 0.02 0.00 -1.01 0.00 0.00 66.70 64.34 1g7n h VAL 32 Cb 0.26 1.11 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 1g7n h VAL 32 CO 0.03 0.46 0.60 0.00 -1.01 0.00 0.00 177.57 177.66 1g7n h ALA 33 N 0.95 1.18 0.00 3.17 0.00 -1.18 -1.18 119.26 122.21 1g7n h ALA 33 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1g7n h ALA 33 Cb 0.75 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1g7n h ALA 33 CO 0.06 0.53 -0.32 0.78 0.00 0.00 0.00 179.25 180.30 1g7n h GLY 34 N 1.21 0.00 1.52 0.00 0.00 -0.95 -3.13 103.07 101.72 1g7n h GLY 34 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1g7n h GLY 34 CO -0.09 0.00 -0.78 -0.33 0.00 0.00 0.00 176.54 175.35 1g7n h MET 35 N 0.00 0.00 -0.59 4.80 2.86 -0.87 -3.38 114.93 117.75 1g7n h MET 35 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1g7n h MET 35 Cb 0.90 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1g7n h MET 35 CO 0.04 0.27 0.14 0.00 1.06 0.00 0.00 176.91 178.42 1g7n h ALA 36 N 1.65 0.78 -6.33 6.32 0.00 -1.18 -3.48 119.26 117.02 1g7n h ALA 36 Ca -0.05 -0.23 -0.46 0.00 0.00 0.00 0.00 54.91 54.17 1g7n h ALA 36 Cb 1.31 -0.23 0.06 0.00 0.00 0.00 0.00 17.79 18.93 1g7n h ALA 36 CO 0.04 0.49 -0.94 1.63 0.00 0.00 0.00 179.25 180.47 1g7n n LYS 37 N -4.36 -1.39 -1.95 0.00 5.02 -1.26 -4.72 118.16 109.52 1g7n n LYS 37 Ca 0.03 0.41 -0.36 0.00 -2.02 0.00 0.00 58.31 56.37 1g7n n LYS 37 Cb 0.24 -4.01 0.04 0.00 -0.02 0.00 0.00 35.03 31.28 1g7n n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1g7n s PRO 38 N -6.20 2.93 0.00 1.97 0.04 -1.26 -4.79 135.00 127.69 1g7n s PRO 38 Ca 0.42 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1g7n s PRO 38 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1g7n s PRO 38 CO 0.88 -1.26 0.00 0.27 0.04 0.00 0.00 177.00 176.93 1g7n n ASN 39 N -1.56 0.00 -3.70 6.66 0.23 -0.79 -4.50 115.26 111.60 1g7n n ASN 39 Ca 0.14 -0.85 -0.12 0.00 -0.53 0.00 0.00 54.58 53.21 1g7n n ASN 39 Cb 0.49 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.06 1g7n n ASN 39 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1g7n s MET 40 N -2.18 0.21 -0.17 -3.83 1.75 -0.25 -3.75 119.30 111.08 1g7n s MET 40 Ca 0.00 0.67 0.01 0.00 -1.25 0.00 0.00 55.69 55.12 1g7n s MET 40 Cb 0.00 -0.05 0.02 0.00 2.84 0.00 0.00 34.83 37.64 1g7n s MET 40 CO 0.00 -0.21 -0.20 0.42 -0.65 0.00 0.00 175.02 174.38 1g7n s ILE 41 N 1.78 2.00 -0.10 10.11 1.01 0.20 -0.10 121.20 136.11 1g7n s ILE 41 Ca -0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1g7n s ILE 41 Cb -0.11 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1g7n s ILE 41 CO -0.09 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.59 1g7n s ILE 42 N 1.24 2.78 0.06 2.92 1.01 -0.46 -0.49 121.20 128.26 1g7n s ILE 42 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 1g7n s ILE 42 Cb -0.13 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1g7n s ILE 42 CO -0.11 0.55 0.10 -0.94 0.00 0.00 0.00 174.94 174.53 1g7n s SER 43 N 0.12 0.25 -0.00 3.58 1.04 -0.59 -1.60 113.70 116.50 1g7n s SER 43 Ca -0.08 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.66 1g7n s SER 43 Cb -0.15 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1g7n s SER 43 CO 0.05 -0.63 -0.13 -0.69 0.98 0.00 0.00 173.24 172.82 1g7n s VAL 44 N -3.54 1.01 -0.24 5.02 1.01 -1.26 -0.72 120.40 121.68 1g7n s VAL 44 Ca 0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1g7n s VAL 44 Cb 0.04 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.67 1g7n s VAL 44 CO -0.09 0.26 0.19 0.21 0.00 0.00 0.00 175.10 175.66 1g7n s ASN 45 N -0.38 2.22 1.59 3.32 3.84 -0.10 -5.02 114.94 120.41 1g7n s ASN 45 Ca 0.05 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.41 1g7n s ASN 45 Cb -0.05 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.73 1g7n s ASN 45 CO -0.00 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 1g7n n GLY 46 N 5.29 2.57 1.42 1.21 0.00 -1.26 -1.80 105.19 112.62 1g7n n GLY 46 Ca -0.05 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1g7n n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g7n n ASP 47 N 6.65 4.43 -4.57 1.61 5.68 -1.26 -4.90 116.55 124.18 1g7n n ASP 47 Ca 0.00 -2.38 -0.34 0.00 -0.50 0.00 0.00 54.79 51.57 1g7n n ASP 47 Cb 0.00 -0.53 -0.11 0.00 -1.14 0.00 0.00 41.12 39.34 1g7n n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1g7n s LEU 48 N -1.70 3.59 -0.06 -2.12 1.43 -0.75 -4.38 118.68 114.69 1g7n s LEU 48 Ca 0.48 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1g7n s LEU 48 Cb 0.30 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1g7n s LEU 48 CO 0.24 0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 176.28 1g7n s VAL 49 N 0.44 4.19 -0.08 -1.59 1.01 0.01 -0.93 120.40 123.46 1g7n s VAL 49 Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1g7n s VAL 49 Cb -0.13 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1g7n s VAL 49 CO 0.01 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.60 1g7n s THR 50 N -0.93 1.52 -0.19 3.92 2.01 0.10 -0.81 115.64 121.26 1g7n s THR 50 Ca 0.15 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1g7n s THR 50 Cb -0.11 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1g7n s THR 50 CO 0.04 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.62 1g7n s ILE 51 N 0.54 1.92 -0.01 1.82 1.01 -0.10 -1.54 121.20 124.84 1g7n s ILE 51 Ca -0.16 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.57 1g7n s ILE 51 Cb -0.17 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1g7n s ILE 51 CO 0.06 0.39 -0.23 -0.60 0.00 0.00 0.00 174.94 174.56 1g7n s ARG 52 N 1.32 2.14 -0.10 2.79 3.52 0.35 -1.89 118.95 127.08 1g7n s ARG 52 Ca 0.02 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 1g7n s ARG 52 Cb -0.14 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 31.15 1g7n s ARG 52 CO -0.11 0.56 -0.10 0.45 -0.81 0.00 0.00 175.30 175.29 1g7n s SER 53 N -0.83 2.08 -0.03 -2.12 0.15 -0.57 0.62 113.70 113.00 1g7n s SER 53 Ca 0.11 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1g7n s SER 53 Cb -0.10 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 1g7n s SER 53 CO 0.00 -0.05 -0.13 -1.61 1.20 0.00 0.00 173.24 172.66 1g7n s GLU 54 N 1.24 2.47 0.06 5.44 2.02 -1.25 -1.23 118.70 127.45 1g7n s GLU 54 Ca -0.03 -0.73 -0.27 0.00 0.02 0.00 0.00 54.97 53.96 1g7n s GLU 54 Cb -0.14 -2.38 0.09 0.00 0.10 0.00 0.00 34.13 31.79 1g7n s GLU 54 CO -0.03 0.61 0.76 -1.54 0.02 0.00 0.00 175.26 175.08 1g7n s SER 55 N -0.94 -0.47 0.59 -0.19 1.04 -1.24 -1.89 113.70 110.60 1g7n s SER 55 Ca 0.13 0.06 0.39 0.00 0.48 0.00 0.00 55.95 57.01 1g7n s SER 55 Cb -0.11 0.48 1.94 0.00 0.10 0.00 0.00 66.02 68.44 1g7n s SER 55 CO 0.02 -0.76 2.17 0.71 0.98 0.00 0.00 173.24 176.37 1g7n h THR 56 N 2.08 0.00 0.06 2.02 1.35 -1.97 -3.22 112.91 113.23 1g7n h THR 56 Ca -0.27 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1g7n h THR 56 Cb 1.26 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1g7n h THR 56 CO 0.34 0.00 -0.03 0.15 -0.25 0.00 0.00 175.52 175.73 1g7n h PHE 57 N 0.00 -0.08 -2.55 4.73 3.57 -1.94 -3.49 116.94 117.19 1g7n h PHE 57 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1g7n h PHE 57 Cb 0.19 0.03 -0.22 0.00 2.79 0.00 0.00 35.95 38.74 1g7n h PHE 57 CO 0.00 -0.05 -0.11 0.15 -2.23 0.00 0.00 178.31 176.07 1g7n s LYS 58 N -1.68 0.68 -0.05 1.11 1.02 -1.22 -5.15 119.74 114.45 1g7n s LYS 58 Ca -0.01 0.43 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 1g7n s LYS 58 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1g7n s LYS 58 CO 0.04 -0.14 0.08 -0.80 -0.92 0.00 0.00 175.35 173.61 1g7n s ASN 59 N -0.31 5.79 0.16 2.83 0.01 -1.26 -3.70 114.94 118.45 1g7n s ASN 59 Ca -0.05 0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.41 1g7n s ASN 59 Cb -0.03 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 1g7n s ASN 59 CO 0.03 0.33 -0.16 0.42 -1.51 0.00 0.00 177.10 176.22 1g7n s THR 60 N -1.09 1.59 -0.22 1.60 -4.23 -0.36 -4.99 115.64 107.94 1g7n s THR 60 Ca 0.19 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 1g7n s THR 60 Cb -0.12 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1g7n s THR 60 CO 0.09 -0.43 0.57 -0.70 -0.54 0.00 0.00 174.62 173.61 1g7n s GLU 61 N -2.96 0.62 -0.01 3.99 2.12 -1.26 -1.52 118.70 119.68 1g7n s GLU 61 Ca 0.14 0.92 0.01 0.00 0.36 0.00 0.00 54.97 56.41 1g7n s GLU 61 Cb -0.04 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1g7n s GLU 61 CO 0.05 -0.12 -0.05 0.96 -0.54 0.00 0.00 175.26 175.57 1g7n s ILE 62 N 0.93 0.40 -0.08 -3.70 -4.36 -0.79 -4.99 121.20 108.60 1g7n s ILE 62 Ca -0.05 -0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.19 1g7n s ILE 62 Cb -0.05 -0.36 0.01 0.00 1.25 0.00 0.00 42.46 43.31 1g7n s ILE 62 CO -0.08 0.13 -0.15 -0.44 0.24 0.00 0.00 174.94 174.64 1g7n s SER 63 N 0.10 2.10 0.18 4.36 0.01 -1.26 -0.93 113.70 118.27 1g7n s SER 63 Ca -0.01 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 1g7n s SER 63 Cb -0.04 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1g7n s SER 63 CO -0.00 0.05 0.38 0.72 0.41 0.00 0.00 173.24 174.80 1g7n s PHE 64 N 0.67 0.23 -0.16 2.43 -0.71 0.01 -4.95 117.98 115.50 1g7n s PHE 64 Ca -0.14 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.10 1g7n s PHE 64 Cb -0.16 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1g7n s PHE 64 CO 0.04 -0.81 0.02 0.21 -1.34 0.00 0.00 175.22 173.34 1g7n s LYS 65 N -3.94 3.78 0.03 1.99 2.20 -1.26 -0.81 119.74 121.73 1g7n s LYS 65 Ca 0.15 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1g7n s LYS 65 Cb 0.01 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.18 1g7n s LYS 65 CO 0.00 0.31 1.90 -0.51 -0.36 0.00 0.00 175.35 176.69 1g7n s LEU 66 N 0.23 4.41 0.00 5.43 1.43 -1.26 -2.15 118.68 126.78 1g7n s LEU 66 Ca 0.01 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 1g7n s LEU 66 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1g7n s LEU 66 CO 0.01 -1.03 0.00 0.61 0.23 0.00 0.00 176.35 176.18 1g7n n GLY 67 N 4.44 0.69 3.48 -3.19 0.00 -0.15 -4.97 105.19 105.49 1g7n n GLY 67 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1g7n n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g7n s VAL 68 N -2.11 4.12 0.32 1.61 1.01 -0.91 -4.96 120.40 119.49 1g7n s VAL 68 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1g7n s VAL 68 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1g7n s VAL 68 CO 0.00 0.43 1.28 -0.70 0.00 0.00 0.00 175.10 176.11 1g7n s GLU 69 N 0.91 4.39 0.16 2.72 2.12 -1.26 -4.66 118.70 123.08 1g7n s GLU 69 Ca 0.02 2.16 -0.07 0.00 0.36 0.00 0.00 54.97 57.44 1g7n s GLU 69 Cb -0.14 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1g7n s GLU 69 CO 0.02 -0.13 0.23 -0.59 -0.54 0.00 0.00 175.26 174.25 1g7n s PHE 70 N -1.13 0.53 0.04 5.30 -0.71 0.25 -4.96 117.98 117.29 1g7n s PHE 70 Ca 0.48 -0.89 -0.23 0.00 -1.04 0.00 0.00 56.93 55.26 1g7n s PHE 70 Cb -0.39 -0.16 -0.06 0.00 -1.21 0.00 0.00 43.02 41.20 1g7n s PHE 70 CO 0.51 -0.68 0.68 -0.51 -1.34 0.00 0.00 175.22 173.88 1g7n s ASP 71 N -3.00 7.11 -0.00 1.98 1.01 -1.26 -0.27 116.67 122.25 1g7n s ASP 71 Ca 0.20 1.33 0.01 0.00 0.71 0.00 0.00 52.55 54.80 1g7n s ASP 71 Cb 0.04 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.55 1g7n s ASP 71 CO 0.01 0.09 -0.04 -0.70 0.21 0.00 0.00 175.17 174.74 1g7n s GLU 72 N -0.31 0.35 -0.28 8.23 2.12 -0.34 -4.92 118.70 123.54 1g7n s GLU 72 Ca 0.34 -0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1g7n s GLU 72 Cb -0.20 -0.33 0.04 0.00 0.26 0.00 0.00 34.13 33.91 1g7n s GLU 72 CO 0.20 0.09 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.78 1g7n s GLU 73 N -0.13 2.56 0.82 4.30 2.02 -1.26 -0.74 118.70 126.26 1g7n s GLU 73 Ca 0.01 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 1g7n s GLU 73 Cb -0.02 -3.12 0.08 0.00 0.10 0.00 0.00 34.13 31.17 1g7n s GLU 73 CO -0.00 -0.55 1.09 0.95 0.02 0.00 0.00 175.26 176.77 1g7n s THR 74 N 1.28 3.08 0.50 3.63 -4.23 -0.54 -4.91 115.64 114.44 1g7n s THR 74 Ca -0.04 0.35 0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1g7n s THR 74 Cb -0.19 -2.94 0.34 0.00 1.34 0.00 0.00 72.50 71.05 1g7n s THR 74 CO -0.02 -0.46 2.04 1.62 -0.54 0.00 0.00 174.62 177.26 1g7n h VAL 75 N -1.23 0.87 -0.05 2.29 3.04 -1.97 -0.45 116.25 118.75 1g7n h VAL 75 Ca -0.47 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1g7n h VAL 75 Cb 1.26 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1g7n h VAL 75 CO 0.55 0.02 0.00 -0.90 -1.01 0.00 0.00 177.57 176.24 1g7n n ASP 76 N -4.45 1.24 0.00 3.17 5.75 -1.26 -4.94 116.55 116.06 1g7n n ASP 76 Ca 0.06 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 1g7n n ASP 76 Cb 0.37 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1g7n n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g7n n GLY 77 N 1.12 0.66 3.81 6.12 0.00 -0.18 -4.99 105.19 111.73 1g7n n GLY 77 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1g7n n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g7n s ARG 78 N -0.98 4.34 -0.38 1.61 0.52 -1.26 -4.83 118.95 117.97 1g7n s ARG 78 Ca 0.00 1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 56.27 1g7n s ARG 78 Cb 0.00 -2.48 0.06 0.00 0.52 0.00 0.00 34.95 33.05 1g7n s ARG 78 CO 0.00 0.13 0.19 0.15 0.02 0.00 0.00 175.30 175.79 1g7n s LYS 79 N -2.67 2.57 0.37 3.54 1.02 -1.26 -1.47 119.74 121.85 1g7n s LYS 79 Ca 0.56 -1.35 0.08 0.00 0.02 0.00 0.00 55.97 55.28 1g7n s LYS 79 Cb -0.13 -3.63 -0.07 0.00 -0.52 0.00 0.00 37.83 33.48 1g7n s LYS 79 CO 0.18 -0.83 -0.04 0.14 -0.92 0.00 0.00 175.35 173.88 1g7n s VAL 80 N 1.40 2.15 -0.23 3.17 -7.23 0.08 -4.86 120.40 114.88 1g7n s VAL 80 Ca 0.01 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 57.99 1g7n s VAL 80 Cb -0.21 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1g7n s VAL 80 CO 0.02 -0.11 0.12 -0.54 -0.31 0.00 0.00 175.10 174.28 1g7n s LYS 81 N -3.66 3.93 0.14 4.82 -0.14 -0.23 -1.20 119.74 123.40 1g7n s LYS 81 Ca 0.34 -0.35 0.11 0.00 -1.36 0.00 0.00 55.97 54.71 1g7n s LYS 81 Cb 0.06 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1g7n s LYS 81 CO 0.17 0.02 -0.25 -1.12 -0.76 0.00 0.00 175.35 173.41 1g7n s SER 82 N 1.13 3.23 -0.08 2.83 0.01 0.63 -0.92 113.70 120.52 1g7n s SER 82 Ca 0.06 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 1g7n s SER 82 Cb -0.14 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1g7n s SER 82 CO 0.04 0.14 0.20 -0.51 0.41 0.00 0.00 173.24 173.52 1g7n s ILE 83 N -1.26 -0.03 -0.09 1.44 2.07 -0.96 -0.58 121.20 121.80 1g7n s ILE 83 Ca 0.15 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.51 1g7n s ILE 83 Cb -0.09 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.21 1g7n s ILE 83 CO 0.07 0.04 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.39 1g7n s ILE 84 N 0.85 1.24 0.34 2.00 1.01 -1.26 -1.55 121.20 123.83 1g7n s ILE 84 Ca -0.06 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.17 1g7n s ILE 84 Cb -0.08 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 1g7n s ILE 84 CO -0.05 0.39 -0.08 0.42 0.00 0.00 0.00 174.94 175.62 1g7n s THR 85 N 0.96 2.10 -0.34 2.92 -4.23 -0.47 -0.98 115.64 115.60 1g7n s THR 85 Ca -0.08 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.18 1g7n s THR 85 Cb -0.15 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1g7n s THR 85 CO -0.00 -0.20 0.12 -0.22 -0.54 0.00 0.00 174.62 173.78 1g7n s LEU 86 N -3.59 4.32 -0.09 4.79 2.96 -1.26 -0.97 118.68 124.84 1g7n s LEU 86 Ca 0.32 -1.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1g7n s LEU 86 Cb 0.03 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1g7n s LEU 86 CO 0.16 -0.32 -0.06 -1.81 -1.32 0.00 0.00 176.35 173.00 1g7n s ASP 87 N 1.45 1.83 -1.49 3.68 1.01 -0.17 -4.81 116.67 118.16 1g7n s ASP 87 Ca -0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 1g7n s ASP 87 Cb -0.19 -0.70 0.02 0.00 1.01 0.00 0.00 42.92 43.06 1g7n s ASP 87 CO 0.03 -0.10 0.55 0.61 0.21 0.00 0.00 175.17 176.47 1g7n n GLY 88 N 4.68 -0.51 2.81 0.21 0.00 -1.26 -1.15 105.19 109.97 1g7n n GLY 88 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1g7n n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g7n n GLY 89 N -1.41 0.93 3.57 -0.02 0.00 -1.26 -5.02 105.19 101.97 1g7n n GLY 89 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1g7n n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g7n s ALA 90 N -3.70 2.94 -0.31 4.61 0.00 -0.30 -4.73 121.76 120.26 1g7n s ALA 90 Ca 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 1g7n s ALA 90 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1g7n s ALA 90 CO 0.00 0.43 0.40 -0.51 0.00 0.00 0.00 175.76 176.08 1g7n s LEU 91 N -2.96 4.25 -0.27 0.00 1.43 -0.34 -1.00 118.68 119.78 1g7n s LEU 91 Ca 0.26 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1g7n s LEU 91 Cb -0.08 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1g7n s LEU 91 CO 0.15 -0.30 0.04 -0.69 0.23 0.00 0.00 176.35 175.78 1g7n s VAL 92 N 2.12 3.77 -0.09 -1.59 1.01 -0.15 -1.13 120.40 124.35 1g7n s VAL 92 Ca 0.15 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1g7n s VAL 92 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1g7n s VAL 92 CO 0.11 0.19 -0.11 -1.58 0.00 0.00 0.00 175.10 173.71 1g7n s GLN 93 N 1.49 2.98 -0.10 2.72 0.74 0.13 -1.37 119.66 126.26 1g7n s GLN 93 Ca 0.03 -0.64 0.04 0.00 0.05 0.00 0.00 55.36 54.84 1g7n s GLN 93 Cb -0.16 -2.56 -0.00 0.00 1.10 0.00 0.00 33.01 31.38 1g7n s GLN 93 CO 0.01 0.45 -0.24 0.08 -0.55 0.00 0.00 175.29 175.04 1g7n s VAL 94 N -0.26 2.07 -0.10 1.34 1.01 -0.59 -0.29 120.40 123.59 1g7n s VAL 94 Ca 0.02 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1g7n s VAL 94 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1g7n s VAL 94 CO 0.03 0.56 -0.15 -1.10 0.00 0.00 0.00 175.10 174.44 1g7n s GLN 95 N 0.29 3.01 -0.02 2.72 -0.21 -0.43 -2.25 119.66 122.77 1g7n s GLN 95 Ca -0.17 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.54 1g7n s GLN 95 Cb -0.18 -2.50 -0.01 0.00 1.00 0.00 0.00 33.01 31.32 1g7n s GLN 95 CO 0.08 0.37 -0.16 0.15 -2.12 0.00 0.00 175.29 173.62 1g7n s LYS 96 N -0.06 1.42 -0.20 2.91 1.02 -0.10 -1.79 119.74 122.94 1g7n s LYS 96 Ca -0.03 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 1g7n s LYS 96 Cb -0.14 -1.31 0.10 0.00 -0.52 0.00 0.00 37.83 35.96 1g7n s LYS 96 CO 0.04 0.28 0.88 1.67 -0.92 0.00 0.00 175.35 177.30 1g7n s TRP 97 N -0.17 -0.56 -1.74 3.18 -2.14 -0.73 -1.06 118.94 115.73 1g7n s TRP 97 Ca 0.02 1.20 -0.14 0.00 2.66 0.00 0.00 56.10 59.84 1g7n s TRP 97 Cb -0.08 0.37 0.14 0.00 -3.10 0.00 0.00 33.47 30.80 1g7n s TRP 97 CO 0.00 -0.37 0.40 -0.25 -2.66 0.00 0.00 176.95 174.08 1g7n n ASP 98 N 1.70 -0.93 0.00 -2.66 8.00 -1.26 0.10 116.55 121.50 1g7n n ASP 98 Ca -0.14 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1g7n n ASP 98 Cb 0.56 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 1g7n n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g7n n GLY 99 N -1.65 0.46 3.64 0.44 0.00 -1.26 -5.01 105.19 101.81 1g7n n GLY 99 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1g7n n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g7n s LYS 100 N -0.49 2.09 0.03 1.61 1.02 0.11 -5.15 119.74 118.97 1g7n s LYS 100 Ca 0.00 -1.78 -0.17 0.00 0.02 0.00 0.00 55.97 54.04 1g7n s LYS 100 Cb 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1g7n s LYS 100 CO 0.00 0.10 0.38 -1.54 -0.92 0.00 0.00 175.35 173.37 1g7n s SER 101 N -3.74 -0.25 0.02 2.83 1.04 -1.26 -1.77 113.70 110.58 1g7n s SER 101 Ca 0.35 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 1g7n s SER 101 Cb 0.01 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 1g7n s SER 101 CO 0.20 -0.62 0.12 0.28 0.98 0.00 0.00 173.24 174.20 1g7n s THR 102 N -2.28 0.11 -0.07 2.02 -1.32 -0.74 -4.73 115.64 108.63 1g7n s THR 102 Ca -0.07 -0.88 0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1g7n s THR 102 Cb -0.01 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1g7n s THR 102 CO -0.01 -0.48 -0.18 -0.89 -2.21 0.00 0.00 174.62 170.84 1g7n s THR 103 N -1.99 2.65 -0.17 5.08 2.01 -1.06 -1.32 115.64 120.85 1g7n s THR 103 Ca -0.10 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1g7n s THR 103 Cb -0.05 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.47 1g7n s THR 103 CO -0.01 0.57 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.73 1g7n s ILE 104 N -0.27 1.56 -0.12 1.82 1.01 0.61 -1.39 121.20 124.42 1g7n s ILE 104 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1g7n s ILE 104 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1g7n s ILE 104 CO 0.03 0.33 -0.06 -0.54 0.00 0.00 0.00 174.94 174.69 1g7n s LYS 105 N 1.47 3.34 -0.17 2.79 1.02 0.10 -0.69 119.74 127.59 1g7n s LYS 105 Ca 0.02 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1g7n s LYS 105 Cb -0.14 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1g7n s LYS 105 CO -0.10 0.37 -0.18 1.03 -0.92 0.00 0.00 175.35 175.55 1g7n s ARG 106 N -0.00 3.08 0.11 1.68 0.52 -0.28 -0.98 118.95 123.08 1g7n s ARG 106 Ca -0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 1g7n s ARG 106 Cb -0.14 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 1g7n s ARG 106 CO 0.03 -0.13 0.04 -1.59 0.02 0.00 0.00 175.30 173.67 1g7n s LYS 107 N 1.13 0.84 -0.04 3.54 -2.85 -0.09 -1.20 119.74 121.07 1g7n s LYS 107 Ca 0.01 -1.36 -0.11 0.00 -1.00 0.00 0.00 55.97 53.50 1g7n s LYS 107 Cb -0.14 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.82 1g7n s LYS 107 CO -0.07 -0.22 0.30 1.03 0.10 0.00 0.00 175.35 176.49 1g7n s ARG 108 N -4.01 3.71 -0.25 1.78 1.81 -1.26 -0.14 118.95 120.60 1g7n s ARG 108 Ca 0.19 0.17 -0.04 0.00 -1.72 0.00 0.00 55.73 54.33 1g7n s ARG 108 Cb 0.07 -3.19 0.09 0.00 -0.45 0.00 0.00 34.95 31.48 1g7n s ARG 108 CO -0.02 0.71 0.14 0.34 -0.68 0.00 0.00 175.30 175.80 1g7n s ASP 109 N -1.14 2.83 1.89 0.23 -1.08 -0.50 -4.90 116.67 113.98 1g7n s ASP 109 Ca 0.21 -0.95 0.00 0.00 -0.52 0.00 0.00 52.55 51.29 1g7n s ASP 109 Cb -0.15 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.14 1g7n s ASP 109 CO 0.10 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 176.01 1g7n n GLY 110 N 5.27 3.43 0.93 2.66 0.00 -1.26 -0.77 105.19 115.45 1g7n n GLY 110 Ca -0.06 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1g7n n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g7n n ASP 111 N 6.00 2.72 -4.89 1.61 5.68 -1.26 -4.94 116.55 121.47 1g7n n ASP 111 Ca 0.00 -1.98 -0.21 0.00 -0.50 0.00 0.00 54.79 52.11 1g7n n ASP 111 Cb 0.00 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 1g7n n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1g7n s LYS 112 N -1.36 2.53 -0.17 0.11 -0.14 0.05 -4.58 119.74 116.18 1g7n s LYS 112 Ca 0.35 -1.54 0.01 0.00 -1.36 0.00 0.00 55.97 53.42 1g7n s LYS 112 Cb 0.18 -2.39 0.02 0.00 -1.68 0.00 0.00 37.83 33.96 1g7n s LYS 112 CO 0.24 -0.23 -0.19 -1.17 -0.76 0.00 0.00 175.35 173.25 1g7n s LEU 113 N -4.16 2.01 -0.13 3.17 2.96 -0.61 -1.41 118.68 120.51 1g7n s LEU 113 Ca 0.48 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1g7n s LEU 113 Cb -0.04 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1g7n s LEU 113 CO 0.28 -0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1g7n s VAL 114 N 1.31 3.55 -0.19 1.68 1.01 0.80 -0.51 120.40 128.04 1g7n s VAL 114 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1g7n s VAL 114 Cb -0.13 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1g7n s VAL 114 CO -0.12 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 1g7n s VAL 115 N 0.16 2.88 -0.16 2.92 1.01 0.35 -0.91 120.40 126.65 1g7n s VAL 115 Ca -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1g7n s VAL 115 Cb -0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1g7n s VAL 115 CO 0.04 0.48 -0.14 -0.70 0.00 0.00 0.00 175.10 174.77 1g7n s GLU 116 N 1.22 3.24 -0.07 2.72 2.12 -0.15 -0.60 118.70 127.18 1g7n s GLU 116 Ca 0.02 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.65 1g7n s GLU 116 Cb -0.14 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 1g7n s GLU 116 CO -0.05 0.01 -0.17 0.00 -0.54 0.00 0.00 175.26 174.51 1g7n s VAL 118 N -0.34 0.93 -0.12 0.00 1.01 -0.49 -0.74 120.40 120.65 1g7n s VAL 118 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1g7n s VAL 118 Cb -0.13 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.45 1g7n s VAL 118 CO 0.02 0.30 0.11 -0.32 0.00 0.00 0.00 175.10 175.21 1g7n s MET 119 N 0.61 0.03 -1.39 2.72 1.75 -0.38 -2.55 119.30 120.09 1g7n s MET 119 Ca -0.11 0.17 -0.11 0.00 -1.25 0.00 0.00 55.69 54.39 1g7n s MET 119 Cb -0.14 -1.16 0.01 0.00 2.84 0.00 0.00 34.83 36.38 1g7n s MET 119 CO 0.02 -0.52 0.35 1.63 -0.65 0.00 0.00 175.02 175.85 1g7n n LYS 120 N 5.30 -1.37 0.00 4.11 5.02 -1.26 -1.01 118.16 128.94 1g7n n LYS 120 Ca -0.05 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1g7n n LYS 120 Cb 0.49 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.91 1g7n n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g7n n GLY 121 N -2.23 2.66 3.68 0.72 0.00 -1.26 -5.00 105.19 103.76 1g7n n GLY 121 Ca -0.25 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1g7n n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g7n s VAL 122 N -1.17 4.30 -0.05 1.61 1.01 -0.18 -5.02 120.40 120.90 1g7n s VAL 122 Ca 0.00 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.64 1g7n s VAL 122 Cb 0.00 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1g7n s VAL 122 CO 0.00 -0.03 -0.20 0.42 0.00 0.00 0.00 175.10 175.28 1g7n s THR 123 N 2.50 2.52 0.03 3.92 -4.23 -1.26 -1.25 115.64 117.87 1g7n s THR 123 Ca 0.55 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1g7n s THR 123 Cb -0.23 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1g7n s THR 123 CO 0.20 0.58 -0.21 -0.55 -0.54 0.00 0.00 174.62 174.10 1g7n s SER 124 N -0.42 2.44 -0.07 3.99 0.15 0.08 -4.74 113.70 115.12 1g7n s SER 124 Ca 0.04 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1g7n s SER 124 Cb -0.12 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 1g7n s SER 124 CO 0.02 0.19 -0.15 -0.89 1.20 0.00 0.00 173.24 173.60 1g7n s THR 125 N -0.70 1.35 -0.07 6.45 2.01 -0.76 -0.84 115.64 123.09 1g7n s THR 125 Ca 0.07 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1g7n s THR 125 Cb -0.08 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1g7n s THR 125 CO 0.01 0.40 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.06 1g7n s ARG 126 N 0.60 2.01 -0.11 4.92 0.52 0.23 -0.88 118.95 126.24 1g7n s ARG 126 Ca -0.15 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1g7n s ARG 126 Cb -0.16 -1.62 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 1g7n s ARG 126 CO 0.05 0.08 -0.07 0.08 0.02 0.00 0.00 175.30 175.46 1g7n s VAL 127 N 0.52 3.62 0.13 3.52 1.01 -0.43 -0.50 120.40 128.27 1g7n s VAL 127 Ca -0.14 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1g7n s VAL 127 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1g7n s VAL 127 CO 0.05 0.55 -0.21 -0.31 0.00 0.00 0.00 175.10 175.17 1g7n s TYR 128 N -0.19 1.90 0.20 5.22 1.51 0.33 -0.90 117.35 125.42 1g7n s TYR 128 Ca 0.02 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 55.75 1g7n s TYR 128 Cb -0.13 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1g7n s TYR 128 CO 0.03 0.27 -0.18 -1.83 -1.11 0.00 0.00 175.55 172.73 1g7n s GLU 129 N -2.18 1.38 0.24 -0.62 -1.05 -0.38 -1.57 118.70 114.52 1g7n s GLU 129 Ca 0.10 -1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 1g7n s GLU 129 Cb -0.09 -1.38 -0.10 0.00 -0.44 0.00 0.00 34.13 32.12 1g7n s GLU 129 CO 0.05 0.27 1.44 1.03 0.95 0.00 0.00 175.26 179.00 1g7n s ARG 130 N -3.15 4.27 0.00 -4.83 0.52 -1.26 -0.41 118.95 114.09 1g7n s ARG 130 Ca 0.20 2.29 0.18 0.00 -0.52 0.00 0.00 55.73 57.88 1g7n s ARG 130 Cb -0.04 -3.12 1.09 0.00 0.52 0.00 0.00 34.95 33.40 1g7n s ARG 130 CO 0.08 -0.42 1.49 0.00 0.02 0.00 0.00 175.30 176.47