#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otg s HIS 3 N 0.00 3.03 -0.42 0.54 3.76 0.66 -2.16 115.29 120.70 1otg s HIS 3 Ca 0.00 -1.43 -0.10 0.00 -0.15 0.00 0.00 55.06 53.38 1otg s HIS 3 Cb 0.00 -2.07 0.08 0.00 1.11 0.00 0.00 32.58 31.70 1otg s HIS 3 CO 0.00 -0.70 0.27 0.12 -0.85 0.00 0.00 174.74 173.58 1otg s PHE 4 N 1.36 3.33 -0.22 1.40 5.36 -0.43 -1.10 117.98 127.68 1otg s PHE 4 Ca 0.02 -1.47 -0.05 0.00 -0.96 0.00 0.00 56.93 54.46 1otg s PHE 4 Cb -0.16 -2.98 -0.02 0.00 -0.34 0.00 0.00 43.02 39.52 1otg s PHE 4 CO -0.05 -0.84 0.01 0.42 -1.46 0.00 0.00 175.22 173.30 1otg s ILE 5 N 1.45 3.93 -0.03 3.12 1.01 0.16 -1.03 121.20 129.80 1otg s ILE 5 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1otg s ILE 5 Cb -0.23 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1otg s ILE 5 CO 0.03 0.41 -0.15 -0.69 0.00 0.00 0.00 174.94 174.53 1otg s VAL 6 N 1.23 2.99 -0.14 2.92 1.01 0.17 -1.27 120.40 127.30 1otg s VAL 6 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1otg s VAL 6 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1otg s VAL 6 CO 0.01 0.55 -0.19 -1.61 0.00 0.00 0.00 175.10 173.86 1otg s GLU 7 N -0.86 3.14 -0.02 2.72 2.02 -0.08 -0.25 118.70 125.38 1otg s GLU 7 Ca 0.12 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1otg s GLU 7 Cb -0.11 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1otg s GLU 7 CO 0.01 0.05 0.01 0.00 0.02 0.00 0.00 175.26 175.35 1otg s SER 9 N 0.74 6.57 0.00 0.00 1.04 -1.12 -1.19 113.70 119.75 1otg s SER 9 Ca -0.07 2.84 0.27 0.00 0.48 0.00 0.00 55.95 59.47 1otg s SER 9 Cb -0.10 -2.65 1.55 0.00 0.10 0.00 0.00 66.02 64.92 1otg s SER 9 CO -0.02 -0.70 1.94 -0.90 0.98 0.00 0.00 173.24 174.54 1otg n ASP 10 N 0.89 0.00 0.13 7.02 5.68 0.91 -3.09 116.55 128.08 1otg n ASP 10 Ca 0.01 -0.68 0.11 0.00 -0.50 0.00 0.00 54.79 53.73 1otg n ASP 10 Cb 0.40 -0.06 0.49 0.00 -1.14 0.00 0.00 41.12 40.82 1otg n ASP 10 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1otg n ASN 11 N -1.06 0.58 -0.14 -1.12 6.94 -1.26 -2.21 115.26 116.99 1otg n ASN 11 Ca 0.19 0.68 0.06 0.00 -0.02 0.00 0.00 54.58 55.48 1otg n ASN 11 Cb 0.12 -0.79 0.08 0.00 -2.36 0.00 0.00 39.78 36.83 1otg n ASN 11 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1otg n ILE 12 N -2.18 1.30 -0.26 1.53 -5.35 -1.18 -4.81 119.36 108.41 1otg n ILE 12 Ca 0.01 -1.53 0.06 0.00 -0.27 0.00 0.00 62.75 61.02 1otg n ILE 12 Cb 0.17 0.08 0.20 0.00 -1.74 0.00 0.00 39.64 38.34 1otg n ILE 12 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1otg h ARG 13 N 0.00 0.39 0.04 6.28 2.43 -1.56 0.26 114.38 122.21 1otg h ARG 13 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1otg h ARG 13 Cb 1.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1otg h ARG 13 CO 0.00 0.26 -0.02 0.93 -1.51 0.00 0.00 179.97 179.63 1otg h GLU 14 N 0.40 -0.05 0.00 0.20 4.39 -1.87 -3.30 114.58 114.34 1otg h GLU 14 Ca 0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 1otg h GLU 14 Cb 0.69 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1otg h GLU 14 CO -0.44 0.60 -0.03 0.93 -1.16 0.00 0.00 179.01 178.90 1otg h GLU 15 N -0.84 0.00 0.00 2.33 3.07 -1.88 -2.97 114.58 114.28 1otg h GLU 15 Ca -0.01 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1otg h GLU 15 Cb 0.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1otg h GLU 15 CO 0.01 0.03 -0.24 0.00 -1.40 0.00 0.00 179.01 177.41 1otg h ALA 16 N 1.97 1.02 -6.61 3.43 0.00 -0.56 -3.48 119.26 115.02 1otg h ALA 16 Ca -0.00 -0.22 -0.46 0.00 0.00 0.00 0.00 54.91 54.23 1otg h ALA 16 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1otg h ALA 16 CO 0.00 0.30 -0.96 -3.47 0.00 0.00 0.00 179.25 175.13 1otg n ASP 17 N -3.41 -5.01 -0.25 0.00 2.03 -1.13 -4.80 116.55 103.99 1otg n ASP 17 Ca 0.00 -0.97 -0.06 0.00 0.52 0.00 0.00 54.79 54.27 1otg n ASP 17 Cb 0.44 -2.20 0.05 0.00 -0.72 0.00 0.00 41.12 38.69 1otg n ASP 17 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1otg h LEU 18 N -0.97 0.95 -0.93 -2.67 3.38 -1.89 -1.03 115.31 112.14 1otg h LEU 18 Ca -0.60 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.26 1otg h LEU 18 Cb 1.36 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1otg h LEU 18 CO 0.41 0.85 0.59 -0.65 0.09 0.00 0.00 178.44 179.73 1otg h PRO 19 N 0.99 1.08 -0.36 1.13 0.11 -1.98 0.27 132.00 133.24 1otg h PRO 19 Ca 0.23 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 1otg h PRO 19 Cb 0.18 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1otg h PRO 19 CO -0.02 0.72 -0.37 0.78 -0.21 0.00 0.00 178.00 178.89 1otg h GLY 20 N 1.12 0.92 0.95 -0.55 0.00 -1.83 -0.01 103.07 103.66 1otg h GLY 20 Ca 0.39 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1otg h GLY 20 CO -0.15 0.84 -0.06 -2.00 0.00 0.00 0.00 176.54 175.17 1otg h LEU 21 N 0.70 0.70 -1.12 3.11 6.46 0.33 -3.03 115.31 122.46 1otg h LEU 21 Ca 0.06 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1otg h LEU 21 Cb 0.94 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1otg h LEU 21 CO 0.09 0.88 0.28 -0.26 -0.62 0.00 0.00 178.44 178.81 1otg h PHE 22 N 0.50 0.90 -0.10 1.25 0.04 -0.41 0.17 116.94 119.30 1otg h PHE 22 Ca 0.10 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1otg h PHE 22 Cb 0.56 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 1otg h PHE 22 CO 0.05 0.67 0.06 0.00 -0.60 0.00 0.00 178.31 178.49 1otg h ALA 23 N 1.42 1.94 0.02 2.45 0.00 -0.87 -1.35 119.26 122.87 1otg h ALA 23 Ca 0.22 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.78 1otg h ALA 23 Cb 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1otg h ALA 23 CO -0.02 0.05 -2.06 1.63 0.00 0.00 0.00 179.25 178.85 1otg n LYS 24 N -4.52 0.67 -0.08 0.00 5.02 -0.90 -4.34 118.16 114.00 1otg n LYS 24 Ca -0.02 0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1otg n LYS 24 Cb 0.09 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 1otg n LYS 24 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1otg h VAL 25 N 0.01 1.28 0.34 -0.18 2.07 -0.38 -2.74 116.25 116.66 1otg h VAL 25 Ca -0.43 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.40 1otg h VAL 25 Cb 2.08 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1otg h VAL 25 CO 0.04 0.55 -0.31 0.78 0.02 0.00 0.00 177.57 178.66 1otg h ASN 26 N 0.67 -0.82 -0.10 0.57 4.21 -1.47 -0.94 115.58 117.70 1otg h ASN 26 Ca 0.03 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 1otg h ASN 26 Cb 1.10 0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.55 1otg h ASN 26 CO 0.11 -0.45 -0.02 -0.65 -1.29 0.00 0.00 177.43 175.13 1otg h PRO 27 N -0.67 0.33 0.00 0.81 0.11 -1.76 -2.43 132.00 128.39 1otg h PRO 27 Ca -0.02 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1otg h PRO 27 Cb 0.59 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1otg h PRO 27 CO -0.04 0.38 -0.40 0.00 -0.21 0.00 0.00 178.00 177.73 1otg h THR 28 N 0.32 0.81 -0.20 -1.15 1.03 -1.08 -1.86 112.91 110.78 1otg h THR 28 Ca 0.07 -1.74 -0.09 0.00 -0.01 0.00 0.00 66.41 64.64 1otg h THR 28 Cb 0.26 2.11 -0.00 0.00 -1.07 0.00 0.00 68.15 69.44 1otg h THR 28 CO 0.01 0.39 -0.24 -0.07 -0.01 0.00 0.00 175.52 175.60 1otg h LEU 29 N 0.00 0.57 -0.72 0.00 4.07 -0.86 -3.12 115.31 115.25 1otg h LEU 29 Ca -0.00 -0.49 -0.07 0.00 0.08 0.00 0.00 57.88 57.39 1otg h LEU 29 Cb 1.07 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 1otg h LEU 29 CO 0.05 0.95 0.14 0.00 -1.08 0.00 0.00 178.44 178.50 1otg h ALA 30 N 0.64 0.94 0.00 1.53 0.00 -1.37 -2.69 119.26 118.30 1otg h ALA 30 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1otg h ALA 30 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1otg h ALA 30 CO 0.06 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1otg n ALA 31 N -2.46 1.70 0.31 0.00 0.00 -0.71 -1.85 120.51 117.50 1otg n ALA 31 Ca 0.05 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1otg n ALA 31 Cb 0.28 -1.39 0.49 0.00 0.00 0.00 0.00 19.45 18.83 1otg n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1otg n THR 32 N -2.25 0.95 -0.61 0.00 -2.24 -1.01 -4.85 114.28 104.26 1otg n THR 32 Ca 0.02 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1otg n THR 32 Cb 0.24 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1otg n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1otg n GLY 33 N -0.47 1.44 0.10 3.38 0.00 -0.77 -4.83 105.19 104.04 1otg n GLY 33 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1otg n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1otg n ILE 34 N -2.00 1.50 -4.68 -0.61 5.41 -1.26 -4.89 119.36 112.83 1otg n ILE 34 Ca 0.00 -0.80 -0.33 0.00 1.00 0.00 0.00 62.75 62.63 1otg n ILE 34 Cb 0.00 -0.82 -0.16 0.00 -0.71 0.00 0.00 39.64 37.94 1otg n ILE 34 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1otg s PHE 35 N -2.53 2.67 0.12 1.39 0.08 -1.25 -5.10 117.98 113.35 1otg s PHE 35 Ca -0.11 -1.34 -0.31 0.00 0.12 0.00 0.00 56.93 55.29 1otg s PHE 35 Cb 0.07 -1.81 -0.09 0.00 -0.57 0.00 0.00 43.02 40.61 1otg s PHE 35 CO 0.80 -0.61 1.59 -1.25 -0.10 0.00 0.00 175.22 175.66 1otg s PRO 36 N 0.81 4.21 0.30 0.24 0.04 -1.26 -4.02 135.00 135.32 1otg s PRO 36 Ca -0.07 2.33 0.06 0.00 0.04 0.00 0.00 61.00 63.36 1otg s PRO 36 Cb -0.16 -3.37 0.83 0.00 0.04 0.00 0.00 34.50 31.84 1otg s PRO 36 CO -0.02 -0.65 1.67 1.25 0.04 0.00 0.00 177.00 179.28 1otg h LEU 37 N 7.61 0.25 -2.46 -3.56 5.85 -1.94 -1.00 115.31 120.06 1otg h LEU 37 Ca -0.42 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1otg h LEU 37 Cb 1.20 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1otg h LEU 37 CO 0.92 -0.10 -0.03 0.00 -0.34 0.00 0.00 178.44 178.89 1otg h ALA 38 N 1.78 1.21 -0.00 1.25 0.00 -1.92 -2.82 119.26 118.76 1otg h ALA 38 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1otg h ALA 38 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1otg h ALA 38 CO -0.61 0.03 -0.62 0.41 0.00 0.00 0.00 179.25 178.47 1otg n GLY 39 N -0.94 -0.80 3.65 0.00 0.00 -0.38 -4.80 105.19 101.92 1otg n GLY 39 Ca -0.02 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1otg n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1otg s ILE 40 N -2.81 4.60 -0.27 -0.61 1.01 -1.07 -2.24 121.20 119.81 1otg s ILE 40 Ca 0.14 1.91 0.01 0.00 0.00 0.00 0.00 60.65 62.70 1otg s ILE 40 Cb 0.17 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.41 1otg s ILE 40 CO 0.70 -0.26 0.01 -0.13 0.00 0.00 0.00 174.94 175.26 1otg s ARG 41 N 3.35 1.30 -0.15 2.79 0.52 -0.92 -4.97 118.95 120.88 1otg s ARG 41 Ca 0.45 -1.14 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1otg s ARG 41 Cb -0.15 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1otg s ARG 41 CO 0.09 -0.76 0.03 -1.12 0.02 0.00 0.00 175.30 173.56 1otg s SER 42 N 1.39 5.44 0.05 0.23 0.01 -1.26 -1.31 113.70 118.24 1otg s SER 42 Ca 0.02 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.18 1otg s SER 42 Cb -0.18 -1.81 0.04 0.00 0.21 0.00 0.00 66.02 64.27 1otg s SER 42 CO -0.11 0.25 0.44 0.00 0.41 0.00 0.00 173.24 174.22 1otg s ARG 43 N -0.08 0.95 0.06 12.44 3.03 -0.20 -4.97 118.95 130.18 1otg s ARG 43 Ca 0.05 -0.34 0.09 0.00 2.03 0.00 0.00 55.73 57.56 1otg s ARG 43 Cb -0.12 0.43 -0.03 0.00 -1.03 0.00 0.00 34.95 34.20 1otg s ARG 43 CO 0.01 -0.33 -0.25 0.54 -1.13 0.00 0.00 175.30 174.14 1otg s VAL 44 N -2.50 2.01 -0.24 4.99 0.11 -1.26 -0.65 120.40 122.85 1otg s VAL 44 Ca -0.05 -1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 57.61 1otg s VAL 44 Cb -0.01 -1.73 0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1otg s VAL 44 CO -0.02 0.28 -0.09 -1.00 -3.33 0.00 0.00 175.10 170.93 1otg s HIS 45 N -0.84 3.06 0.32 1.54 3.76 0.66 -4.94 115.29 118.85 1otg s HIS 45 Ca 0.11 -1.74 -0.27 0.00 -0.15 0.00 0.00 55.06 53.01 1otg s HIS 45 Cb -0.10 -2.01 -0.10 0.00 1.11 0.00 0.00 32.58 31.49 1otg s HIS 45 CO 0.02 -0.78 0.98 -1.58 -0.85 0.00 0.00 174.74 172.54 1otg s TRP 46 N 1.27 3.63 -0.16 1.40 0.52 -1.26 -2.89 118.94 121.46 1otg s TRP 46 Ca -0.01 1.77 0.01 0.00 0.02 0.00 0.00 56.10 57.88 1otg s TRP 46 Cb -0.17 -3.01 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 1otg s TRP 46 CO -0.06 -0.00 -0.17 0.08 0.02 0.00 0.00 176.95 176.82 1otg s VAL 47 N -1.52 2.45 -0.31 4.03 1.01 -0.33 -4.91 120.40 120.81 1otg s VAL 47 Ca 0.50 -0.84 0.19 0.00 0.00 0.00 0.00 61.98 61.83 1otg s VAL 47 Cb -0.22 -2.03 -0.27 0.00 0.00 0.00 0.00 36.38 33.87 1otg s VAL 47 CO 0.27 0.52 0.55 -0.90 0.00 0.00 0.00 175.10 175.54 1otg n ASP 48 N 4.19 0.69 -3.91 3.32 5.68 -1.26 -0.06 116.55 125.21 1otg n ASP 48 Ca -0.20 -0.31 -0.29 0.00 -0.50 0.00 0.00 54.79 53.49 1otg n ASP 48 Cb 0.51 1.59 -0.16 0.00 -1.14 0.00 0.00 41.12 41.92 1otg n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1otg s THR 49 N -3.14 1.28 0.21 2.12 2.01 -1.26 -4.92 115.64 111.93 1otg s THR 49 Ca -0.02 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 1otg s THR 49 Cb 0.13 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1otg s THR 49 CO 0.79 0.01 0.46 -1.66 -0.69 0.00 0.00 174.62 173.53 1otg s TRP 50 N 1.54 0.14 -0.07 4.92 -2.14 -1.26 -5.14 118.94 116.94 1otg s TRP 50 Ca -0.02 -0.50 -0.03 0.00 2.66 0.00 0.00 56.10 58.21 1otg s TRP 50 Cb -0.17 0.24 0.04 0.00 -3.10 0.00 0.00 33.47 30.48 1otg s TRP 50 CO -0.07 -0.91 0.12 -1.14 -2.66 0.00 0.00 176.95 172.29 1otg s GLN 51 N -3.94 -0.01 -0.12 3.25 0.74 -1.26 -5.07 119.66 113.25 1otg s GLN 51 Ca 0.15 0.49 -0.04 0.00 0.05 0.00 0.00 55.36 56.00 1otg s GLN 51 Cb -0.00 -0.36 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 1otg s GLN 51 CO 0.02 -0.31 0.04 1.41 -0.55 0.00 0.00 175.29 175.90 1otg s MET 52 N 2.20 3.37 3.24 1.67 -2.45 -1.26 -4.94 119.30 121.13 1otg s MET 52 Ca 0.03 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1otg s MET 52 Cb -0.12 -2.98 0.00 0.00 1.25 0.00 0.00 34.83 32.98 1otg s MET 52 CO -0.05 0.57 0.00 0.00 1.05 0.00 0.00 175.02 176.59 1otg n ALA 53 N 2.58 0.00 1.45 4.11 0.00 -1.26 -0.60 120.51 126.79 1otg n ALA 53 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1otg n ALA 53 Cb 0.53 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.62 1otg n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1otg n ASP 54 N 4.25 0.47 -0.35 0.00 5.68 -1.26 -4.91 116.55 120.44 1otg n ASP 54 Ca 0.00 -0.63 -0.05 0.00 -0.50 0.00 0.00 54.79 53.61 1otg n ASP 54 Cb 0.00 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 1otg n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1otg n GLY 55 N 1.25 0.54 0.05 6.12 0.00 0.23 -4.86 105.19 108.53 1otg n GLY 55 Ca 0.15 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1otg n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1otg n GLN 56 N -0.64 0.16 -2.73 1.61 1.13 -1.26 -4.94 117.38 110.71 1otg n GLN 56 Ca -0.05 0.08 -0.07 0.00 -1.94 0.00 0.00 57.00 55.03 1otg n GLN 56 Cb 0.43 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 1otg n GLN 56 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1otg n HIS 57 N -1.90 -0.06 -2.97 1.08 8.25 -1.26 -5.06 115.22 113.30 1otg n HIS 57 Ca 0.05 -0.84 -0.44 0.00 -0.26 0.00 0.00 57.72 56.23 1otg n HIS 57 Cb 0.39 0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 1otg n HIS 57 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1otg s ASP 58 N -1.76 6.81 0.07 0.41 2.15 -1.26 -5.00 116.67 118.08 1otg s ASP 58 Ca 0.09 -2.46 -0.15 0.00 0.43 0.00 0.00 52.55 50.45 1otg s ASP 58 Cb 0.00 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.18 1otg s ASP 58 CO 0.06 -0.90 0.49 -0.31 -0.17 0.00 0.00 175.17 174.34 1otg s TYR 59 N 2.04 3.71 0.15 -5.34 2.02 -1.26 -4.35 117.35 114.32 1otg s TYR 59 Ca 0.35 1.07 0.08 0.00 -0.37 0.00 0.00 57.07 58.21 1otg s TYR 59 Cb -0.04 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1otg s TYR 59 CO -0.06 0.56 -0.18 0.00 -1.57 0.00 0.00 175.55 174.30 1otg s ALA 60 N -1.22 1.87 0.06 3.71 0.00 -0.68 -4.95 121.76 120.54 1otg s ALA 60 Ca 0.30 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1otg s ALA 60 Cb -0.17 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1otg s ALA 60 CO 0.17 0.23 0.24 -0.59 0.00 0.00 0.00 175.76 175.81 1otg s PHE 61 N -1.94 0.01 -0.06 0.00 -0.71 -1.26 -1.83 117.98 112.18 1otg s PHE 61 Ca 0.13 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.76 1otg s PHE 61 Cb -0.06 0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1otg s PHE 61 CO 0.06 -0.50 0.00 0.08 -1.34 0.00 0.00 175.22 173.52 1otg s VAL 62 N -2.91 0.31 -0.15 -2.49 1.01 -0.15 -2.79 120.40 113.23 1otg s VAL 62 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1otg s VAL 62 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1otg s VAL 62 CO -0.06 0.23 -0.19 -2.28 0.00 0.00 0.00 175.10 172.80 1otg s HIS 63 N 1.76 2.72 -0.10 5.22 5.04 -0.50 -2.01 115.29 127.41 1otg s HIS 63 Ca 0.01 -1.28 0.04 0.00 -1.54 0.00 0.00 55.06 52.29 1otg s HIS 63 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 32.58 30.64 1otg s HIS 63 CO -0.04 -0.59 -0.22 -1.64 -2.34 0.00 0.00 174.74 169.91 1otg s MET 64 N 0.87 2.88 -0.08 2.88 -1.94 -0.46 -0.90 119.30 122.56 1otg s MET 64 Ca -0.05 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 1otg s MET 64 Cb -0.15 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.50 1otg s MET 64 CO -0.02 0.16 -0.21 0.99 -0.01 0.00 0.00 175.02 175.92 1otg s THR 65 N 0.39 1.77 -0.30 2.05 2.01 -0.40 -0.77 115.64 120.40 1otg s THR 65 Ca -0.18 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1otg s THR 65 Cb -0.18 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 70.83 1otg s THR 65 CO 0.08 0.50 0.02 -0.22 -0.69 0.00 0.00 174.62 174.31 1otg s LEU 66 N 0.30 3.82 -0.23 4.42 2.96 -0.16 -0.66 118.68 129.13 1otg s LEU 66 Ca -0.14 -1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 52.66 1otg s LEU 66 Cb -0.16 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1otg s LEU 66 CO 0.06 -0.23 0.07 -0.54 -1.32 0.00 0.00 176.35 174.39 1otg s LYS 67 N 1.35 3.77 0.24 1.98 1.02 -0.26 -1.11 119.74 126.74 1otg s LYS 67 Ca -0.02 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.60 1otg s LYS 67 Cb -0.18 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 1otg s LYS 67 CO -0.00 -0.03 -0.06 0.96 -0.92 0.00 0.00 175.35 175.30 1otg s ILE 68 N 1.18 1.47 0.48 2.17 -4.36 -0.14 -0.24 121.20 121.76 1otg s ILE 68 Ca 0.05 -2.11 -0.22 0.00 -0.26 0.00 0.00 60.65 58.10 1otg s ILE 68 Cb -0.14 -2.31 -0.07 0.00 1.25 0.00 0.00 42.46 41.19 1otg s ILE 68 CO 0.03 -0.39 1.17 -0.83 0.24 0.00 0.00 174.94 175.16 1otg s GLY 69 N -3.37 2.76 0.62 6.27 0.00 -1.26 0.92 107.32 113.26 1otg s GLY 69 Ca 0.27 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.74 1otg s GLY 69 CO 0.09 1.37 1.20 0.00 0.00 0.00 0.00 173.10 175.77 1otg s ALA 70 N -1.58 2.47 0.00 3.20 0.00 -1.25 -4.19 121.76 120.41 1otg s ALA 70 Ca 0.65 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1otg s ALA 70 Cb -0.28 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1otg s ALA 70 CO 0.34 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1otg n GLY 71 N 0.44 1.12 3.85 0.00 0.00 -1.26 -5.02 105.19 104.30 1otg n GLY 71 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1otg n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otg s ARG 72 N -0.41 3.94 0.47 1.61 3.00 -1.26 -5.00 118.95 121.30 1otg s ARG 72 Ca 0.00 0.90 -0.22 0.00 0.00 0.00 0.00 55.73 56.42 1otg s ARG 72 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 34.95 32.71 1otg s ARG 72 CO 0.00 -0.24 1.09 -1.54 0.00 0.00 0.00 175.30 174.61 1otg s SER 73 N -3.05 6.28 0.27 0.23 1.04 -1.26 -4.89 113.70 112.32 1otg s SER 73 Ca 0.58 2.10 0.01 0.00 0.48 0.00 0.00 55.95 59.12 1otg s SER 73 Cb -0.10 -2.58 0.63 0.00 0.10 0.00 0.00 66.02 64.07 1otg s SER 73 CO 0.31 -0.83 1.70 0.25 0.98 0.00 0.00 173.24 175.65 1otg h LEU 74 N 1.84 0.26 -1.13 2.42 5.85 -1.99 -1.99 115.31 120.58 1otg h LEU 74 Ca -0.49 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1otg h LEU 74 Cb 1.23 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1otg h LEU 74 CO 0.60 0.02 -0.20 1.05 -0.34 0.00 0.00 178.44 179.56 1otg h GLU 75 N 0.39 0.36 0.32 1.25 9.09 -1.99 0.13 114.58 124.13 1otg h GLU 75 Ca 0.51 -0.11 -0.01 0.00 0.05 0.00 0.00 59.36 59.79 1otg h GLU 75 Cb 0.91 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 1otg h GLU 75 CO -0.50 0.56 -0.16 0.77 0.05 0.00 0.00 179.01 179.72 1otg h SER 76 N 0.33 -0.38 -0.68 3.06 0.02 -1.76 -1.51 113.55 112.63 1otg h SER 76 Ca 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1otg h SER 76 Cb 0.55 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1otg h SER 76 CO 0.04 -0.27 0.39 0.03 -1.14 0.00 0.00 176.83 175.88 1otg h ARG 77 N -0.44 0.95 -0.10 3.45 3.08 -1.26 0.38 114.38 120.44 1otg h ARG 77 Ca -0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1otg h ARG 77 Cb 0.34 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1otg h ARG 77 CO 0.07 0.70 0.03 0.37 -1.07 0.00 0.00 179.97 180.07 1otg h GLN 78 N 0.94 0.14 -0.03 0.04 5.75 -0.63 -0.83 115.11 120.49 1otg h GLN 78 Ca 0.24 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 1otg h GLN 78 Cb 0.02 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1otg h GLN 78 CO -0.04 0.27 -0.53 -0.56 -2.65 0.00 0.00 178.83 175.33 1otg h GLN 79 N -0.02 0.08 -0.19 1.69 3.07 -1.14 -0.79 115.11 117.81 1otg h GLN 79 Ca 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1otg h GLN 79 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.75 1otg h GLN 79 CO -0.00 0.59 -0.10 0.00 0.09 0.00 0.00 178.83 179.41 1otg h ALA 80 N 1.41 0.27 -0.47 0.06 0.00 -0.76 -1.88 119.26 117.89 1otg h ALA 80 Ca -0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1otg h ALA 80 Cb 0.95 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1otg h ALA 80 CO 0.07 0.10 0.23 0.78 0.00 0.00 0.00 179.25 180.44 1otg h GLY 81 N 0.10 0.65 0.99 0.00 0.00 -1.01 -0.78 103.07 103.01 1otg h GLY 81 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1otg h GLY 81 CO 0.03 0.11 0.14 0.83 0.00 0.00 0.00 176.54 177.64 1otg h GLU 82 N 0.46 0.87 -0.26 4.80 5.08 -1.10 0.45 114.58 124.88 1otg h GLU 82 Ca 0.20 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1otg h GLU 82 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1otg h GLU 82 CO -0.14 0.81 -0.42 0.00 -1.00 0.00 0.00 179.01 178.26 1otg h MET 83 N 0.77 0.63 -0.65 2.33 -0.00 -1.03 -2.41 114.93 114.57 1otg h MET 83 Ca 0.17 -0.33 -0.05 0.00 -0.00 0.00 0.00 59.70 59.49 1otg h MET 83 Cb 0.33 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 31.91 1otg h MET 83 CO 0.00 0.93 0.23 1.25 -0.00 0.00 0.00 176.91 179.33 1otg h LEU 84 N 0.52 0.93 -1.15 -0.10 5.85 -0.92 -2.52 115.31 117.92 1otg h LEU 84 Ca 0.04 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1otg h LEU 84 Cb 0.94 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1otg h LEU 84 CO 0.08 0.87 0.19 0.15 -0.34 0.00 0.00 178.44 179.39 1otg h PHE 85 N 0.93 0.79 -0.61 1.25 3.57 -0.83 0.41 116.94 122.45 1otg h PHE 85 Ca 0.21 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1otg h PHE 85 Cb 0.25 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1otg h PHE 85 CO 0.02 0.63 0.03 0.93 -2.23 0.00 0.00 178.31 177.69 1otg h GLU 86 N 0.77 1.04 -0.44 1.11 4.39 -1.02 -0.04 114.58 120.39 1otg h GLU 86 Ca 0.18 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 1otg h GLU 86 Cb 0.19 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1otg h GLU 86 CO -0.01 1.00 -0.05 1.25 -1.16 0.00 0.00 179.01 180.03 1otg h LEU 87 N 0.96 0.73 -0.16 1.33 5.85 -0.91 -1.83 115.31 121.28 1otg h LEU 87 Ca 0.18 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1otg h LEU 87 Cb 0.51 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1otg h LEU 87 CO 0.02 0.83 0.02 0.40 -0.34 0.00 0.00 178.44 179.38 1otg h ILE 88 N 0.70 1.23 -0.63 4.05 2.04 -0.49 -0.27 117.51 124.13 1otg h ILE 88 Ca 0.13 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1otg h ILE 88 Cb 0.50 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1otg h ILE 88 CO 0.03 0.22 0.39 0.11 0.00 0.00 0.00 178.15 178.90 1otg h LYS 89 N 0.05 0.74 -0.51 2.37 1.57 -0.87 -0.15 116.57 119.77 1otg h LYS 89 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1otg h LYS 89 Cb 0.32 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1otg h LYS 89 CO 0.00 0.49 0.33 1.15 -0.57 0.00 0.00 179.45 180.85 1otg h THR 90 N 0.76 1.14 -0.84 -0.16 2.02 -1.24 -0.51 112.91 114.08 1otg h THR 90 Ca 0.26 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1otg h THR 90 Cb 0.03 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 1otg h THR 90 CO -0.11 0.14 0.53 -0.74 0.37 0.00 0.00 175.52 175.71 1otg h HIS 91 N 0.69 0.98 -0.06 3.16 -0.00 0.41 -3.05 115.15 117.28 1otg h HIS 91 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1otg h HIS 91 Cb -0.06 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.03 1otg h HIS 91 CO -0.04 0.53 0.00 1.19 -0.00 0.00 0.00 177.93 179.61 1otg n PHE 92 N -4.60 0.06 -0.33 5.26 3.72 -0.21 -4.58 117.46 116.77 1otg n PHE 92 Ca 0.11 -0.03 0.16 0.00 -0.05 0.00 0.00 57.45 57.65 1otg n PHE 92 Cb 0.14 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.07 1otg n PHE 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1otg h ALA 93 N 4.40 1.85 0.00 4.37 0.00 -1.00 0.21 119.26 129.09 1otg h ALA 93 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1otg h ALA 93 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1otg h ALA 93 CO 0.00 -0.25 -0.71 0.00 0.00 0.00 0.00 179.25 178.30 1otg h ALA 94 N 1.66 0.81 -0.06 0.00 0.00 -1.82 -2.77 119.26 117.07 1otg h ALA 94 Ca 0.59 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1otg h ALA 94 Cb 1.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1otg h ALA 94 CO -0.37 0.88 -0.51 -0.07 0.00 0.00 0.00 179.25 179.19 1otg h LEU 95 N 0.00 0.55 -1.84 0.00 3.38 -1.43 -3.00 115.31 112.98 1otg h LEU 95 Ca -0.01 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.37 1otg h LEU 95 Cb 1.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1otg h LEU 95 CO 0.09 1.15 0.31 -0.03 0.09 0.00 0.00 178.44 180.05 1otg h MET 96 N -0.00 0.18 -0.11 1.13 4.05 -0.65 -1.56 114.93 117.97 1otg h MET 96 Ca -0.05 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.14 1otg h MET 96 Cb 1.17 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1otg h MET 96 CO 0.10 0.12 -0.81 0.93 0.23 0.00 0.00 176.91 177.48 1otg h GLU 97 N 0.19 0.68 -0.01 0.39 5.08 -1.49 -3.37 114.58 116.05 1otg h GLU 97 Ca 0.21 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1otg h GLU 97 Cb 0.57 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1otg h GLU 97 CO -0.03 1.20 -0.49 -1.13 -1.00 0.00 0.00 179.01 177.56 1otg n SER 98 N -3.89 1.41 -3.07 1.42 3.41 -0.88 -5.05 113.62 106.96 1otg n SER 98 Ca -0.07 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.22 1otg n SER 98 Cb 0.76 0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 1otg n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1otg s ARG 99 N -2.16 2.08 -0.37 4.33 1.70 -0.64 -5.08 118.95 118.81 1otg s ARG 99 Ca 0.12 -1.61 -0.25 0.00 -0.47 0.00 0.00 55.73 53.52 1otg s ARG 99 Cb 0.13 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 35.06 1otg s ARG 99 CO 0.51 -0.92 0.87 -0.51 -1.08 0.00 0.00 175.30 174.16 1otg s LEU 100 N -3.16 4.05 -0.03 -1.89 1.02 -1.26 -4.69 118.68 112.72 1otg s LEU 100 Ca 0.23 0.46 -0.02 0.00 0.02 0.00 0.00 54.13 54.82 1otg s LEU 100 Cb -0.03 -3.16 0.01 0.00 0.02 0.00 0.00 46.19 43.03 1otg s LEU 100 CO 0.16 -0.82 0.08 -0.22 0.02 0.00 0.00 176.35 175.57 1otg s LEU 101 N 3.34 1.59 -0.12 1.79 2.96 -1.26 -1.69 118.68 125.28 1otg s LEU 101 Ca 0.35 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1otg s LEU 101 Cb -0.12 0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.81 1otg s LEU 101 CO 0.18 -0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 174.95 1otg s ALA 102 N 0.21 2.23 -0.13 5.97 0.00 -0.76 -4.99 121.76 124.30 1otg s ALA 102 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1otg s ALA 102 Cb -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1otg s ALA 102 CO -0.01 0.10 -0.09 -0.51 0.00 0.00 0.00 175.76 175.25 1otg s LEU 103 N 0.62 2.94 -0.02 0.00 1.02 -1.26 -0.98 118.68 121.01 1otg s LEU 103 Ca -0.12 -0.22 -0.03 0.00 0.02 0.00 0.00 54.13 53.78 1otg s LEU 103 Cb -0.16 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1otg s LEU 103 CO 0.02 0.20 0.08 -0.94 0.02 0.00 0.00 176.35 175.74 1otg s SER 104 N 0.15 -0.02 -0.10 2.29 1.04 -0.85 -5.00 113.70 111.20 1otg s SER 104 Ca -0.05 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 1otg s SER 104 Cb -0.14 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1otg s SER 104 CO 0.04 -0.14 0.25 0.12 0.98 0.00 0.00 173.24 174.49 1otg s PHE 105 N -0.46 -0.31 0.03 5.02 5.36 -1.26 -1.35 117.98 125.01 1otg s PHE 105 Ca -0.05 0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 56.64 1otg s PHE 105 Cb -0.03 0.08 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1otg s PHE 105 CO 0.00 -0.18 -0.00 -1.83 -1.46 0.00 0.00 175.22 171.75 1otg s GLU 106 N 0.62 0.42 -0.19 10.12 -1.05 0.05 -4.98 118.70 123.69 1otg s GLU 106 Ca -0.04 -0.73 -0.05 0.00 -0.15 0.00 0.00 54.97 54.00 1otg s GLU 106 Cb -0.05 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1otg s GLU 106 CO -0.04 -0.08 -0.00 0.42 0.95 0.00 0.00 175.26 176.51 1otg s ILE 107 N -2.08 4.04 0.03 1.83 1.01 -1.26 -0.98 121.20 123.78 1otg s ILE 107 Ca -0.10 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1otg s ILE 107 Cb -0.05 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1otg s ILE 107 CO -0.03 0.45 -0.20 -1.61 0.00 0.00 0.00 174.94 173.54 1otg s GLU 108 N 0.75 1.45 0.07 2.79 2.02 -0.27 -4.95 118.70 120.57 1otg s GLU 108 Ca 0.00 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 53.99 1otg s GLU 108 Cb -0.14 -1.51 -0.06 0.00 0.10 0.00 0.00 34.13 32.51 1otg s GLU 108 CO 0.02 0.40 0.45 -1.21 0.02 0.00 0.00 175.26 174.94 1otg s GLU 109 N -0.96 3.89 0.64 1.61 2.02 -1.26 -0.97 118.70 123.67 1otg s GLU 109 Ca 0.07 0.36 -0.12 0.00 0.02 0.00 0.00 54.97 55.30 1otg s GLU 109 Cb -0.08 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1otg s GLU 109 CO 0.01 0.58 1.04 -0.51 0.02 0.00 0.00 175.26 176.41 1otg s LEU 110 N -1.62 3.27 0.34 1.80 1.43 0.26 -4.85 118.68 119.31 1otg s LEU 110 Ca 0.31 1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 54.70 1otg s LEU 110 Cb -0.15 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 1otg s LEU 110 CO 0.17 -1.13 1.41 1.57 0.23 0.00 0.00 176.35 178.60 1otg n HIS 111 N -2.69 2.60 0.06 0.29 -0.00 -1.26 -3.92 115.22 110.29 1otg n HIS 111 Ca 0.07 0.47 0.07 0.00 -0.00 0.00 0.00 57.72 58.33 1otg n HIS 111 Cb 0.54 -2.48 0.50 0.00 -0.00 0.00 0.00 29.99 28.55 1otg n HIS 111 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1otg h PRO 112 N 3.07 0.36 0.00 1.57 0.11 -1.95 -3.37 132.00 131.79 1otg h PRO 112 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1otg h PRO 112 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1otg h PRO 112 CO 0.66 0.24 -0.80 0.25 -0.21 0.00 0.00 178.00 178.14 1otg n THR 113 N -4.49 0.00 -2.11 -1.15 -2.24 -1.26 -4.79 114.28 98.23 1otg n THR 113 Ca 0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1otg n THR 113 Cb 0.12 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1otg n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1otg n LEU 114 N -1.71 7.69 -3.71 3.22 4.77 -1.26 -4.82 117.00 121.18 1otg n LEU 114 Ca 0.00 -4.86 -0.26 0.00 -0.03 0.00 0.00 56.01 50.85 1otg n LEU 114 Cb 0.40 -1.38 -0.17 0.00 -2.33 0.00 0.00 43.42 39.94 1otg n LEU 114 CO 0.00 1.91 -0.36 0.21 -1.33 0.00 0.00 177.39 177.82 1otg s ASN 115 N 0.36 2.57 0.03 -1.43 3.84 -1.26 -4.71 114.94 114.34 1otg s ASN 115 Ca 0.50 -0.66 0.08 0.00 0.21 0.00 0.00 52.86 52.99 1otg s ASN 115 Cb 0.16 -0.48 -0.03 0.00 -0.55 0.00 0.00 41.25 40.36 1otg s ASN 115 CO -0.07 -0.30 -0.22 -0.36 -2.79 0.00 0.00 177.10 173.36 1otg s PHE 116 N 1.95 2.46 0.08 0.43 0.40 -1.26 -5.12 117.98 116.92 1otg s PHE 116 Ca 0.01 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.81 1otg s PHE 116 Cb -0.16 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 41.97 1otg s PHE 116 CO -0.08 0.18 0.49 -1.59 0.70 0.00 0.00 175.22 174.93 1otg s LYS 117 N -1.28 1.07 -0.25 0.44 -2.85 -1.26 -5.12 119.74 110.50 1otg s LYS 117 Ca 0.13 -0.41 -0.02 0.00 -1.00 0.00 0.00 55.97 54.67 1otg s LYS 117 Cb -0.10 0.48 0.13 0.00 -2.06 0.00 0.00 37.83 36.28 1otg s LYS 117 CO 0.03 -0.41 0.35 -1.14 0.10 0.00 0.00 175.35 174.28 1otg s GLN 118 N -3.01 0.33 -0.17 1.78 0.74 -1.26 -5.14 119.66 112.93 1otg s GLN 118 Ca -0.02 0.38 -0.00 0.00 0.05 0.00 0.00 55.36 55.77 1otg s GLN 118 Cb -0.00 -0.60 0.04 0.00 1.10 0.00 0.00 33.01 33.55 1otg s GLN 118 CO -0.06 -0.72 -0.06 1.21 -0.55 0.00 0.00 175.29 175.12 1otg s ASN 119 N 2.50 2.90 0.00 6.67 3.04 -1.26 -5.02 114.94 123.77 1otg s ASN 119 Ca 0.11 -0.70 0.29 0.00 0.04 0.00 0.00 52.86 52.61 1otg s ASN 119 Cb -0.15 -0.95 1.26 0.00 -1.54 0.00 0.00 41.25 39.88 1otg s ASN 119 CO -0.18 -0.18 1.87 -0.46 -3.04 0.00 0.00 177.10 175.11 1otg n ASN 120 N 4.85 0.75 0.00 -4.21 2.04 -1.26 -4.02 115.26 113.42 1otg n ASN 120 Ca -0.12 -0.98 0.12 0.00 -0.44 0.00 0.00 54.58 53.16 1otg n ASN 120 Cb 0.48 -0.01 0.55 0.00 -2.53 0.00 0.00 39.78 38.26 1otg n ASN 120 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1otg n VAL 121 N -0.58 0.25 -0.08 3.53 0.24 -1.26 -3.30 118.33 117.13 1otg n VAL 121 Ca 0.18 0.06 -0.01 0.00 -2.04 0.00 0.00 64.34 62.53 1otg n VAL 121 Cb 0.27 -0.63 0.25 0.00 -1.47 0.00 0.00 33.84 32.27 1otg n VAL 121 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1otg h HIS 122 N 0.00 0.71 -0.30 6.34 3.86 -1.87 -1.67 115.15 122.22 1otg h HIS 122 Ca 0.00 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1otg h HIS 122 Cb 0.42 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1otg h HIS 122 CO 0.00 0.61 0.25 0.00 0.86 0.00 0.00 177.93 179.65 1otg h ALA 123 N 1.44 2.13 0.02 2.45 0.00 -1.85 -0.44 119.26 123.00 1otg h ALA 123 Ca 0.15 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1otg h ALA 123 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1otg h ALA 123 CO -0.00 -0.40 -0.94 -0.07 0.00 0.00 0.00 179.25 177.84 1otg h LEU 124 N 0.00 0.32 0.00 0.00 4.07 -1.51 -3.44 115.31 114.76 1otg h LEU 124 Ca 0.14 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1otg h LEU 124 Cb 0.64 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1otg h LEU 124 CO -0.00 1.10 0.00 0.49 -1.08 0.00 0.00 178.44 178.94 1otg n PHE 125 N -3.65 0.00 0.00 1.13 3.01 -0.19 -5.18 117.46 112.58 1otg n PHE 125 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1otg n PHE 125 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 1otg n PHE 125 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94