#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 2.79 -0.45 0.54 3.76 0.13 -1.55 115.29 120.51 1otg s HIS 3 Ca 0.00 -1.02 -0.05 0.00 -0.15 0.00 0.00 55.06 53.84 1otg s HIS 3 Cb 0.00 -1.89 0.12 0.00 1.11 0.00 0.00 32.58 31.92 1otg s HIS 3 CO 0.00 -0.47 0.27 0.12 -0.85 0.00 0.00 174.74 173.82 1otg s PHE 4 N 0.81 3.53 -0.18 1.40 5.36 -0.40 0.13 117.98 128.63 1otg s PHE 4 Ca -0.05 -2.28 -0.07 0.00 -0.96 0.00 0.00 56.93 53.57 1otg s PHE 4 Cb -0.15 -3.31 -0.04 0.00 -0.34 0.00 0.00 43.02 39.18 1otg s PHE 4 CO -0.00 -0.97 0.04 0.42 -1.46 0.00 0.00 175.22 173.25 1otg s ILE 5 N 1.10 4.56 -0.01 3.12 1.01 0.90 -1.93 121.20 129.95 1otg s ILE 5 Ca 0.08 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1otg s ILE 5 Cb -0.23 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1otg s ILE 5 CO -0.03 0.46 -0.24 -0.69 0.00 0.00 0.00 174.94 174.44 1otg s VAL 6 N 0.46 2.28 -0.17 2.92 1.01 -0.55 0.02 120.40 126.38 1otg s VAL 6 Ca 0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1otg s VAL 6 Cb -0.13 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1otg s VAL 6 CO 0.01 0.52 -0.10 -1.61 0.00 0.00 0.00 175.10 173.92 1otg s GLU 7 N -0.83 3.37 -0.02 2.72 2.02 0.68 -0.79 118.70 125.84 1otg s GLU 7 Ca 0.11 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.45 1otg s GLU 7 Cb -0.10 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1otg s GLU 7 CO 0.00 0.05 -0.07 0.00 0.02 0.00 0.00 175.26 175.26 1otg s SER 9 N 0.27 6.76 0.00 0.00 1.04 -0.83 -1.41 113.70 119.54 1otg s SER 9 Ca -0.04 2.58 0.18 0.00 0.48 0.00 0.00 55.95 59.16 1otg s SER 9 Cb -0.08 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.48 1otg s SER 9 CO 0.00 -0.60 1.47 -0.90 0.98 0.00 0.00 173.24 174.19 1otg n ASP 10 N 2.08 0.00 0.23 7.02 5.68 0.22 -2.86 116.55 128.91 1otg n ASP 10 Ca 0.05 -0.55 0.15 0.00 -0.50 0.00 0.00 54.79 53.95 1otg n ASP 10 Cb 0.41 -0.01 0.57 0.00 -1.14 0.00 0.00 41.12 40.96 1otg n ASP 10 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1otg h ASN 11 N 0.00 0.00 -0.15 -1.12 -1.07 -1.90 -2.76 115.58 108.58 1otg h ASN 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1otg h ASN 11 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1otg h ASN 11 CO 0.00 0.00 0.00 2.30 0.07 0.00 0.00 177.43 179.80 1otg n ILE 12 N -2.85 1.26 -0.25 6.14 -5.35 -1.14 -4.83 119.36 112.34 1otg n ILE 12 Ca 0.02 -1.27 0.06 0.00 -0.27 0.00 0.00 62.75 61.29 1otg n ILE 12 Cb 0.32 0.32 0.19 0.00 -1.74 0.00 0.00 39.64 38.73 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 0.90 0.36 -0.05 6.28 2.43 -1.62 0.37 114.38 123.05 1otg h ARG 13 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1otg h ARG 13 Cb 0.75 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1otg h ARG 13 CO 0.03 0.24 -0.01 0.93 -1.51 0.00 0.00 179.97 179.64 1otg h GLU 14 N 0.37 0.09 0.00 0.20 4.39 -1.88 -3.31 114.58 114.44 1otg h GLU 14 Ca 0.42 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 1otg h GLU 14 Cb 0.68 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1otg h GLU 14 CO -0.45 0.42 -0.25 0.93 -1.16 0.00 0.00 179.01 178.51 1otg h GLU 15 N -0.24 0.00 -0.34 2.33 3.07 -1.87 -3.17 114.58 114.36 1otg h GLU 15 Ca 0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1otg h GLU 15 Cb 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1otg h GLU 15 CO 0.00 0.25 0.02 0.00 -1.40 0.00 0.00 179.01 177.89 1otg h ALA 16 N 1.75 1.42 -5.58 3.43 0.00 -1.01 -3.48 119.26 115.80 1otg h ALA 16 Ca -0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1otg h ALA 16 Cb 0.82 -0.15 0.15 0.00 0.00 0.00 0.00 17.79 18.61 1otg h ALA 16 CO 0.03 0.41 -0.74 -3.47 0.00 0.00 0.00 179.25 175.48 1otg n ASP 17 N -4.30 -6.60 -0.29 0.00 2.03 -1.20 -4.85 116.55 101.33 1otg n ASP 17 Ca 0.02 -0.66 -0.05 0.00 0.52 0.00 0.00 54.79 54.61 1otg n ASP 17 Cb 0.22 -4.89 0.08 0.00 -0.72 0.00 0.00 41.12 35.81 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 -0.96 1.10 -0.57 -2.67 4.07 -1.88 -2.84 115.31 111.55 1otg h LEU 18 Ca -0.53 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 57.39 1otg h LEU 18 Cb 1.27 -0.28 -0.09 0.00 1.08 0.00 0.00 40.66 42.64 1otg h LEU 18 CO 0.42 0.96 0.03 -0.65 -1.08 0.00 0.00 178.44 178.12 1otg h PRO 19 N 1.17 0.14 -0.16 1.13 0.11 -1.97 -0.42 132.00 132.00 1otg h PRO 19 Ca 0.27 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 1otg h PRO 19 Cb 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1otg h PRO 19 CO -0.03 0.09 -0.09 0.78 -0.21 0.00 0.00 178.00 178.54 1otg h GLY 20 N 0.15 0.27 1.12 -0.55 0.00 -1.88 0.15 103.07 102.33 1otg h GLY 20 Ca 0.30 -0.16 -0.21 0.00 0.00 0.00 0.00 47.33 47.26 1otg h GLY 20 CO -0.47 0.15 -0.75 -2.00 0.00 0.00 0.00 176.54 173.47 1otg h LEU 21 N 0.24 0.89 -0.43 3.11 6.46 -0.92 -3.09 115.31 121.57 1otg h LEU 21 Ca 0.05 -0.64 -0.03 0.00 -0.12 0.00 0.00 57.88 57.14 1otg h LEU 21 Cb 0.33 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1otg h LEU 21 CO 0.02 1.39 0.14 -0.26 -0.62 0.00 0.00 178.44 179.11 1otg h PHE 22 N 0.46 0.69 -0.86 1.25 0.04 -0.67 0.38 116.94 118.23 1otg h PHE 22 Ca -0.05 -0.07 0.23 0.00 2.80 0.00 0.00 57.97 60.88 1otg h PHE 22 Cb 1.38 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1otg h PHE 22 CO 0.09 0.62 0.60 0.00 -0.60 0.00 0.00 178.31 179.03 1otg h ALA 23 N 0.99 2.63 0.08 2.45 0.00 -0.71 -0.80 119.26 123.89 1otg h ALA 23 Ca 0.14 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1otg h ALA 23 Cb 0.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1otg h ALA 23 CO -0.01 -0.88 -2.07 1.63 0.00 0.00 0.00 179.25 177.93 1otg n LYS 24 N -4.35 0.72 0.07 0.00 5.02 -0.88 -4.41 118.16 114.33 1otg n LYS 24 Ca 0.18 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1otg n LYS 24 Cb 0.85 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.05 1.02 -0.05 -0.18 2.07 0.40 -2.18 116.25 117.37 1otg h VAL 25 Ca -0.44 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1otg h VAL 25 Cb 2.02 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1otg h VAL 25 CO 0.05 0.12 -0.31 0.78 0.02 0.00 0.00 177.57 178.24 1otg h ASN 26 N -0.38 -0.97 -0.79 0.57 -0.26 -1.41 -1.41 115.58 110.92 1otg h ASN 26 Ca -0.02 0.11 0.12 0.00 -0.56 0.00 0.00 56.30 55.96 1otg h ASN 26 Cb 0.32 0.38 -0.08 0.00 -1.06 0.00 0.00 38.32 37.87 1otg h ASN 26 CO 0.02 -0.28 0.40 -0.65 -1.06 0.00 0.00 177.43 175.86 1otg h PRO 27 N -0.35 0.60 -0.63 0.81 0.11 -1.77 -2.18 132.00 128.60 1otg h PRO 27 Ca 0.01 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.12 1otg h PRO 27 Cb 0.39 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1otg h PRO 27 CO -0.23 0.40 0.41 1.15 -0.21 0.00 0.00 178.00 179.51 1otg h THR 28 N 0.62 1.09 -0.02 -1.15 2.02 -0.61 0.63 112.91 115.49 1otg h THR 28 Ca 0.42 -0.25 -0.25 0.00 0.77 0.00 0.00 66.41 67.09 1otg h THR 28 Cb 0.53 0.28 0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1otg h THR 28 CO -0.33 0.14 -0.96 -0.07 0.37 0.00 0.00 175.52 174.67 1otg h LEU 29 N 0.74 0.87 -0.35 2.58 3.38 -1.00 -3.17 115.31 118.37 1otg h LEU 29 Ca 0.25 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1otg h LEU 29 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1otg h LEU 29 CO -0.07 1.48 0.20 0.00 0.09 0.00 0.00 178.44 180.14 1otg h ALA 30 N 0.41 0.44 -0.21 1.53 0.00 -0.98 -2.30 119.26 118.16 1otg h ALA 30 Ca -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1otg h ALA 30 Cb 1.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1otg h ALA 30 CO 0.19 -0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.59 1otg h ALA 31 N 1.07 1.93 0.00 0.00 0.00 -0.94 0.16 119.26 121.48 1otg h ALA 31 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1otg h ALA 31 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1otg h ALA 31 CO -0.02 -0.30 0.00 1.79 0.00 0.00 0.00 179.25 180.72 1otg h THR 32 N 0.00 0.00 0.00 0.00 1.35 -1.38 -3.46 112.91 109.42 1otg h THR 32 Ca 0.10 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1otg h THR 32 Cb 0.49 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1otg h THR 32 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1otg n GLY 33 N -0.41 1.00 0.08 5.82 0.00 0.04 -4.82 105.19 106.91 1otg n GLY 33 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1otg n GLY 33 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1otg h ILE 34 N 0.00 1.01 -3.31 -0.61 3.07 -1.79 -3.45 117.51 112.42 1otg h ILE 34 Ca 0.00 -2.76 -0.65 0.00 1.55 0.00 0.00 64.86 63.01 1otg h ILE 34 Cb 0.00 2.47 -0.25 0.00 -0.27 0.00 0.00 36.82 38.77 1otg h ILE 34 CO 0.00 0.57 -0.73 -0.36 -1.05 0.00 0.00 178.15 176.59 1otg s PHE 35 N -2.69 2.90 -0.01 0.16 0.08 -1.26 -5.10 117.98 112.06 1otg s PHE 35 Ca -0.03 -0.51 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 1otg s PHE 35 Cb 0.09 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1otg s PHE 35 CO 0.82 -0.15 1.09 -1.25 -0.10 0.00 0.00 175.22 175.63 1otg s PRO 36 N 0.37 4.46 0.51 0.24 0.04 -1.26 -4.07 135.00 135.29 1otg s PRO 36 Ca -0.08 1.57 0.18 0.00 0.04 0.00 0.00 61.00 62.71 1otg s PRO 36 Cb -0.15 -3.46 1.27 0.00 0.04 0.00 0.00 34.50 32.20 1otg s PRO 36 CO 0.04 -0.23 2.09 1.25 0.04 0.00 0.00 177.00 180.20 1otg h LEU 37 N 7.24 0.04 -0.23 -3.56 5.85 -1.94 -1.16 115.31 121.56 1otg h LEU 37 Ca -0.38 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1otg h LEU 37 Cb 1.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1otg h LEU 37 CO 0.81 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 1otg n ALA 38 N -2.56 1.93 0.42 1.25 0.00 -1.26 -3.13 120.51 117.16 1otg n ALA 38 Ca 0.02 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1otg n ALA 38 Cb 0.25 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.32 1otg n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1otg n GLY 39 N 0.58 -1.25 3.65 0.00 0.00 -0.45 -4.76 105.19 102.96 1otg n GLY 39 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.26 3.92 -0.27 -0.61 -1.09 -1.17 -2.19 121.20 116.53 1otg s ILE 40 Ca 0.02 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 1otg s ILE 40 Cb 0.13 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 1otg s ILE 40 CO 0.80 -0.17 0.02 -0.13 -1.23 0.00 0.00 174.94 174.23 1otg s ARG 41 N 3.97 1.22 -0.19 2.79 0.52 -0.59 -4.96 118.95 121.72 1otg s ARG 41 Ca 0.64 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1otg s ARG 41 Cb -0.26 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1otg s ARG 41 CO 0.23 -0.78 0.08 -1.12 0.02 0.00 0.00 175.30 173.74 1otg s SER 42 N 1.43 5.76 0.14 0.23 0.01 -1.26 -1.28 113.70 118.73 1otg s SER 42 Ca 0.02 0.10 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1otg s SER 42 Cb -0.18 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.07 1otg s SER 42 CO -0.12 0.16 0.36 0.00 0.41 0.00 0.00 173.24 174.05 1otg s ARG 43 N 0.44 1.09 0.06 12.44 3.03 -0.81 -4.98 118.95 130.22 1otg s ARG 43 Ca 0.04 -0.87 0.07 0.00 2.03 0.00 0.00 55.73 57.01 1otg s ARG 43 Cb -0.12 0.44 -0.03 0.00 -1.03 0.00 0.00 34.95 34.21 1otg s ARG 43 CO 0.00 -0.42 -0.20 0.54 -1.13 0.00 0.00 175.30 174.09 1otg s VAL 44 N -3.86 1.60 -0.28 4.99 0.11 -1.26 -1.48 120.40 120.22 1otg s VAL 44 Ca 0.07 -1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 1otg s VAL 44 Cb 0.02 -1.41 0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1otg s VAL 44 CO -0.08 0.10 -0.02 -1.00 -3.33 0.00 0.00 175.10 170.77 1otg s HIS 45 N -0.91 3.19 0.34 1.54 3.76 0.03 -4.95 115.29 118.29 1otg s HIS 45 Ca 0.06 -1.73 -0.20 0.00 -0.15 0.00 0.00 55.06 53.05 1otg s HIS 45 Cb -0.09 -2.09 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 1otg s HIS 45 CO 0.02 -0.77 0.85 -1.58 -0.85 0.00 0.00 174.74 172.41 1otg s TRP 46 N 1.29 3.46 -0.15 1.40 0.52 -1.26 -2.27 118.94 121.92 1otg s TRP 46 Ca -0.03 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1otg s TRP 46 Cb -0.18 -2.74 0.01 0.00 -1.15 0.00 0.00 33.47 29.41 1otg s TRP 46 CO -0.02 0.09 -0.20 0.08 0.02 0.00 0.00 176.95 176.92 1otg s VAL 47 N -1.90 2.21 -0.47 4.03 1.01 -0.50 -4.89 120.40 119.89 1otg s VAL 47 Ca 0.54 -0.92 0.18 0.00 0.00 0.00 0.00 61.98 61.78 1otg s VAL 47 Cb -0.13 -1.91 -0.23 0.00 0.00 0.00 0.00 36.38 34.12 1otg s VAL 47 CO 0.18 0.54 0.59 -0.90 0.00 0.00 0.00 175.10 175.50 1otg n ASP 48 N 4.23 0.86 -3.87 3.32 5.68 -1.26 -0.61 116.55 124.88 1otg n ASP 48 Ca -0.20 -0.51 -0.28 0.00 -0.50 0.00 0.00 54.79 53.30 1otg n ASP 48 Cb 0.51 1.36 -0.16 0.00 -1.14 0.00 0.00 41.12 41.69 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 -2.91 1.04 0.28 2.12 2.01 -1.26 -4.96 115.64 111.95 1otg s THR 49 Ca 0.01 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 1otg s THR 49 Cb 0.12 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1otg s THR 49 CO 0.73 0.10 0.54 -1.66 -0.69 0.00 0.00 174.62 173.64 1otg s TRP 50 N 1.66 0.34 -0.23 4.92 -2.14 -1.26 -5.13 118.94 117.10 1otg s TRP 50 Ca 0.01 -0.73 -0.04 0.00 2.66 0.00 0.00 56.10 57.99 1otg s TRP 50 Cb -0.15 0.29 0.12 0.00 -3.10 0.00 0.00 33.47 30.63 1otg s TRP 50 CO -0.08 -1.10 0.38 -1.14 -2.66 0.00 0.00 176.95 172.36 1otg s GLN 51 N -3.74 0.33 -0.17 3.25 0.74 -1.26 -5.10 119.66 113.71 1otg s GLN 51 Ca 0.21 0.67 -0.08 0.00 0.05 0.00 0.00 55.36 56.22 1otg s GLN 51 Cb -0.02 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1otg s GLN 51 CO 0.10 -0.52 0.08 1.41 -0.55 0.00 0.00 175.29 175.81 1otg s MET 52 N 2.55 3.91 6.27 1.67 -2.45 -1.26 -4.98 119.30 125.01 1otg s MET 52 Ca 0.08 -0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1otg s MET 52 Cb -0.14 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.70 1otg s MET 52 CO -0.15 0.37 0.00 0.00 1.05 0.00 0.00 175.02 176.29 1otg n ALA 53 N 3.26 0.00 1.03 4.11 0.00 -1.26 -1.67 120.51 125.99 1otg n ALA 53 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1otg n ALA 53 Cb 0.53 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.31 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 5.06 2.20 -0.77 0.00 5.68 -1.26 -4.94 116.55 122.52 1otg n ASP 54 Ca 0.00 -1.77 -0.10 0.00 -0.50 0.00 0.00 54.79 52.41 1otg n ASP 54 Cb 0.00 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 39.82 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 1.07 0.05 6.12 0.00 -0.67 -4.90 105.19 108.11 1otg n GLY 55 Ca 0.17 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.63 0.19 -4.64 1.61 1.13 -1.26 -4.89 117.38 107.87 1otg n GLN 56 Ca -0.10 0.09 -0.29 0.00 -1.94 0.00 0.00 57.00 54.76 1otg n GLN 56 Cb 0.47 -1.66 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 1otg n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1otg s HIS 57 N -3.09 1.86 -1.11 1.08 3.76 -1.26 -5.05 115.29 111.48 1otg s HIS 57 Ca 0.10 -1.08 -0.21 0.00 -0.15 0.00 0.00 55.06 53.71 1otg s HIS 57 Cb 0.15 -1.42 0.06 0.00 1.11 0.00 0.00 32.58 32.48 1otg s HIS 57 CO 0.65 0.01 1.53 0.34 -0.85 0.00 0.00 174.74 176.43 1otg s ASP 58 N -3.75 6.62 0.16 1.40 2.15 -1.26 -4.97 116.67 117.02 1otg s ASP 58 Ca 0.15 -1.82 -0.07 0.00 0.43 0.00 0.00 52.55 51.25 1otg s ASP 58 Cb 0.03 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 1otg s ASP 58 CO 0.09 -1.38 0.44 -0.31 -0.17 0.00 0.00 175.17 173.84 1otg s TYR 59 N 4.62 3.47 0.04 -5.34 2.02 -1.26 -4.48 117.35 116.42 1otg s TYR 59 Ca 0.48 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.89 1otg s TYR 59 Cb 0.01 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1otg s TYR 59 CO -0.04 0.39 -0.06 0.00 -1.57 0.00 0.00 175.55 174.27 1otg s ALA 60 N -1.67 0.43 0.01 3.71 0.00 -1.19 -4.99 121.76 118.06 1otg s ALA 60 Ca 0.42 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1otg s ALA 60 Cb -0.12 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1otg s ALA 60 CO 0.23 -0.07 0.20 -0.59 0.00 0.00 0.00 175.76 175.52 1otg s PHE 61 N -1.46 -0.01 -0.18 0.00 -0.71 -1.26 -1.60 117.98 112.76 1otg s PHE 61 Ca -0.12 -0.09 -0.02 0.00 -1.04 0.00 0.00 56.93 55.67 1otg s PHE 61 Cb -0.10 -0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1otg s PHE 61 CO -0.00 -0.36 0.01 0.08 -1.34 0.00 0.00 175.22 173.61 1otg s VAL 62 N -1.76 0.72 -0.18 -2.49 1.01 -0.45 -1.96 120.40 115.29 1otg s VAL 62 Ca -0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1otg s VAL 62 Cb -0.05 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1otg s VAL 62 CO 0.00 -0.10 -0.02 -2.28 0.00 0.00 0.00 175.10 172.70 1otg s HIS 63 N 1.78 3.02 -0.06 5.22 5.04 -0.76 -2.05 115.29 127.48 1otg s HIS 63 Ca -0.01 -0.40 0.05 0.00 -1.54 0.00 0.00 55.06 53.16 1otg s HIS 63 Cb -0.17 -2.01 -0.01 0.00 0.04 0.00 0.00 32.58 30.43 1otg s HIS 63 CO -0.07 -0.14 -0.22 -1.64 -2.34 0.00 0.00 174.74 170.32 1otg s MET 64 N 0.67 2.42 -0.08 2.88 -1.94 -0.41 -0.23 119.30 122.61 1otg s MET 64 Ca -0.01 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.20 1otg s MET 64 Cb -0.14 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.70 1otg s MET 64 CO 0.02 0.29 -0.19 0.99 -0.01 0.00 0.00 175.02 176.11 1otg s THR 65 N 0.04 1.67 -0.34 2.05 2.01 0.10 -1.47 115.64 119.71 1otg s THR 65 Ca -0.08 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 1otg s THR 65 Cb -0.14 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.94 1otg s THR 65 CO 0.04 0.47 0.12 -0.22 -0.69 0.00 0.00 174.62 174.35 1otg s LEU 66 N 0.38 4.32 -0.24 4.42 2.96 0.59 -0.07 118.68 131.04 1otg s LEU 66 Ca -0.15 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 1otg s LEU 66 Cb -0.16 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1otg s LEU 66 CO 0.06 -0.31 0.14 -0.54 -1.32 0.00 0.00 176.35 174.38 1otg s LYS 67 N 1.45 4.00 0.28 1.98 1.02 0.34 -1.39 119.74 127.43 1otg s LYS 67 Ca -0.00 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.75 1otg s LYS 67 Cb -0.19 -3.49 -0.06 0.00 -0.52 0.00 0.00 37.83 33.58 1otg s LYS 67 CO 0.04 0.04 -0.06 0.96 -0.92 0.00 0.00 175.35 175.40 1otg s ILE 68 N 1.10 1.66 0.41 2.17 -4.36 0.13 0.19 121.20 122.48 1otg s ILE 68 Ca 0.07 -2.13 -0.26 0.00 -0.26 0.00 0.00 60.65 58.07 1otg s ILE 68 Cb -0.14 -2.45 -0.08 0.00 1.25 0.00 0.00 42.46 41.04 1otg s ILE 68 CO 0.05 -0.30 1.25 -0.83 0.24 0.00 0.00 174.94 175.34 1otg s GLY 69 N -3.44 2.90 0.76 6.27 0.00 -1.26 0.12 107.32 112.67 1otg s GLY 69 Ca 0.29 1.12 -0.13 0.00 0.00 0.00 0.00 44.72 46.01 1otg s GLY 69 CO 0.12 1.68 1.14 0.00 0.00 0.00 0.00 173.10 176.04 1otg s ALA 70 N -1.32 2.12 0.00 3.20 0.00 -1.26 -4.22 121.76 120.29 1otg s ALA 70 Ca 0.57 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1otg s ALA 70 Cb -0.35 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1otg s ALA 70 CO 0.45 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1otg n GLY 71 N -0.26 2.38 3.76 0.00 0.00 -1.26 -5.04 105.19 104.77 1otg n GLY 71 Ca 0.11 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 2.98 0.70 1.61 0.52 -1.26 -5.00 118.95 118.50 1otg s ARG 72 Ca 0.00 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.89 1otg s ARG 72 Cb 0.00 -1.93 0.01 0.00 0.52 0.00 0.00 34.95 33.55 1otg s ARG 72 CO 0.00 -1.19 1.07 -1.54 0.02 0.00 0.00 175.30 173.66 1otg s SER 73 N -1.66 5.25 0.23 0.23 1.04 -1.26 -4.92 113.70 112.61 1otg s SER 73 Ca 0.77 1.69 -0.08 0.00 0.48 0.00 0.00 55.95 58.80 1otg s SER 73 Cb -0.29 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.53 1otg s SER 73 CO 0.33 -1.53 1.91 0.25 0.98 0.00 0.00 173.24 175.17 1otg h LEU 74 N -0.66 1.02 -0.29 2.42 5.85 -1.99 -2.26 115.31 119.39 1otg h LEU 74 Ca -0.44 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1otg h LEU 74 Cb 1.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1otg h LEU 74 CO 0.56 0.74 0.13 -0.08 -0.34 0.00 0.00 178.44 179.45 1otg h GLU 75 N 1.21 0.28 -0.49 1.25 4.81 -1.98 0.61 114.58 120.27 1otg h GLU 75 Ca 0.33 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1otg h GLU 75 Cb -0.14 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1otg h GLU 75 CO -0.07 0.18 0.09 1.03 -0.73 0.00 0.00 179.01 179.52 1otg h SER 76 N 0.29 0.70 0.02 1.04 0.87 -1.88 -1.21 113.55 113.38 1otg h SER 76 Ca 0.12 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1otg h SER 76 Cb 0.06 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1otg h SER 76 CO -0.10 0.71 -0.49 0.03 -0.53 0.00 0.00 176.83 176.45 1otg h ARG 77 N 0.72 0.30 -0.55 2.24 3.08 -0.92 -2.49 114.38 116.76 1otg h ARG 77 Ca 0.16 -0.35 0.10 0.00 0.07 0.00 0.00 59.98 59.96 1otg h ARG 77 Cb 0.30 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 1otg h ARG 77 CO 0.00 1.06 0.09 0.37 -1.07 0.00 0.00 179.97 180.43 1otg h GLN 78 N -0.32 0.22 -0.01 0.04 5.75 0.31 -1.29 115.11 119.81 1otg h GLN 78 Ca -0.07 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.19 1otg h GLN 78 Cb 1.25 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1otg h GLN 78 CO 0.10 0.14 -0.93 -0.56 -2.65 0.00 0.00 178.83 174.93 1otg h GLN 79 N 0.22 0.43 -0.02 1.69 3.07 -1.27 -2.24 115.11 116.99 1otg h GLN 79 Ca 0.28 -0.45 -0.09 0.00 0.09 0.00 0.00 58.65 58.48 1otg h GLN 79 Cb 0.41 0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1otg h GLN 79 CO -0.38 1.11 -0.42 0.00 0.09 0.00 0.00 178.83 179.22 1otg h ALA 80 N 0.73 1.26 0.57 0.06 0.00 -1.16 -2.58 119.26 118.15 1otg h ALA 80 Ca -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1otg h ALA 80 Cb 1.57 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1otg h ALA 80 CO 0.16 0.54 -0.27 0.78 0.00 0.00 0.00 179.25 180.46 1otg h GLY 81 N 1.27 -0.80 0.76 0.00 0.00 -1.22 -0.03 103.07 103.05 1otg h GLY 81 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1otg h GLY 81 CO 0.06 -0.29 0.63 0.83 0.00 0.00 0.00 176.54 177.76 1otg h GLU 82 N -1.00 1.08 -0.38 4.80 5.08 -1.40 0.70 114.58 123.47 1otg h GLU 82 Ca -0.08 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1otg h GLU 82 Cb 0.65 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1otg h GLU 82 CO 0.13 0.72 -0.02 1.98 -1.00 0.00 0.00 179.01 180.81 1otg h MET 83 N 1.11 0.69 0.00 2.33 4.05 -1.45 -2.00 114.93 119.67 1otg h MET 83 Ca 0.42 -0.23 -0.21 0.00 -0.28 0.00 0.00 59.70 59.40 1otg h MET 83 Cb 0.20 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1otg h MET 83 CO -0.17 0.80 -0.91 1.25 0.23 0.00 0.00 176.91 178.11 1otg h LEU 84 N 0.51 0.41 -1.10 3.39 5.85 0.17 -3.07 115.31 121.46 1otg h LEU 84 Ca 0.11 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1otg h LEU 84 Cb 0.51 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1otg h LEU 84 CO 0.02 1.13 0.61 0.15 -0.34 0.00 0.00 178.44 180.01 1otg h PHE 85 N 0.18 1.11 -0.39 1.25 3.57 0.47 -1.02 116.94 122.11 1otg h PHE 85 Ca -0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1otg h PHE 85 Cb 1.55 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1otg h PHE 85 CO 0.05 0.60 0.24 0.93 -2.23 0.00 0.00 178.31 177.89 1otg h GLU 86 N 1.10 0.48 -0.50 1.11 4.39 -1.36 0.45 114.58 120.25 1otg h GLU 86 Ca 0.39 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 1otg h GLU 86 Cb 0.14 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1otg h GLU 86 CO -0.14 0.32 0.18 1.25 -1.16 0.00 0.00 179.01 179.46 1otg h LEU 87 N 0.49 0.70 -0.08 1.33 5.85 -1.33 -1.75 115.31 120.53 1otg h LEU 87 Ca 0.15 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1otg h LEU 87 Cb -0.03 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1otg h LEU 87 CO -0.05 0.69 0.04 0.40 -0.34 0.00 0.00 178.44 179.18 1otg h ILE 88 N 0.67 1.10 -0.67 4.05 2.04 -0.84 -0.00 117.51 123.85 1otg h ILE 88 Ca 0.16 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1otg h ILE 88 Cb 0.22 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1otg h ILE 88 CO -0.01 0.08 0.31 0.11 0.00 0.00 0.00 178.15 178.64 1otg h LYS 89 N 0.02 0.52 -0.67 2.37 1.57 0.02 -1.39 116.57 119.00 1otg h LYS 89 Ca 0.03 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1otg h LYS 89 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1otg h LYS 89 CO -0.00 0.34 0.11 1.15 -0.57 0.00 0.00 179.45 180.48 1otg h THR 90 N 0.53 1.26 -0.82 -0.16 2.02 -1.12 -1.94 112.91 112.70 1otg h THR 90 Ca 0.33 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1otg h THR 90 Cb 0.37 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1otg h THR 90 CO -0.28 0.39 0.45 -0.74 0.37 0.00 0.00 175.52 175.71 1otg h HIS 91 N 1.03 1.11 -0.51 3.16 -0.00 0.08 -2.99 115.15 117.03 1otg h HIS 91 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1otg h HIS 91 Cb 0.44 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1otg h HIS 91 CO 0.03 0.77 0.00 1.19 -0.00 0.00 0.00 177.93 179.92 1otg n PHE 92 N -4.35 0.68 -0.26 5.26 3.72 -0.84 -4.62 117.46 117.06 1otg n PHE 92 Ca 0.09 -0.34 -0.00 0.00 -0.05 0.00 0.00 57.45 57.14 1otg n PHE 92 Cb 0.10 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.75 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 4.27 0.99 -0.92 4.37 0.00 -1.20 -1.52 119.26 125.26 1otg h ALA 93 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1otg h ALA 93 Cb 0.86 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1otg h ALA 93 CO 0.00 0.10 0.59 0.00 0.00 0.00 0.00 179.25 179.94 1otg h ALA 94 N 1.38 1.24 -0.36 0.00 0.00 -1.83 -2.26 119.26 117.42 1otg h ALA 94 Ca 0.33 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1otg h ALA 94 Cb 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1otg h ALA 94 CO -0.19 0.41 -0.44 -0.07 0.00 0.00 0.00 179.25 178.96 1otg h LEU 95 N 1.12 1.01 -1.79 0.00 3.38 -1.82 -3.01 115.31 114.20 1otg h LEU 95 Ca 0.38 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1otg h LEU 95 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1otg h LEU 95 CO -0.14 1.29 -0.16 -0.03 0.09 0.00 0.00 178.44 179.49 1otg h MET 96 N 0.74 0.00 0.00 1.13 4.05 -0.85 -0.86 114.93 119.14 1otg h MET 96 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1otg h MET 96 Cb 1.04 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1otg h MET 96 CO 0.10 0.16 -0.61 0.93 0.23 0.00 0.00 176.91 177.72 1otg h GLU 97 N 0.00 0.00 -0.00 0.39 4.39 -1.38 -3.38 114.58 114.60 1otg h GLU 97 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1otg h GLU 97 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1otg h GLU 97 CO 0.02 0.00 -0.14 -1.13 -1.16 0.00 0.00 179.01 176.60 1otg n SER 98 N -2.36 0.40 -3.76 1.42 3.41 -0.85 -5.08 113.62 106.80 1otg n SER 98 Ca 0.03 -0.70 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 1otg n SER 98 Cb 0.47 0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.16 1.70 -0.17 4.33 1.70 -0.39 -5.08 118.95 119.87 1otg s ARG 99 Ca 0.02 -1.31 -0.29 0.00 -0.47 0.00 0.00 55.73 53.68 1otg s ARG 99 Cb 0.03 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 1otg s ARG 99 CO 0.13 -0.73 1.27 -0.51 -1.08 0.00 0.00 175.30 174.39 1otg s LEU 100 N -3.04 4.17 -0.09 -1.89 1.02 -1.26 -4.59 118.68 113.00 1otg s LEU 100 Ca 0.21 1.67 -0.08 0.00 0.02 0.00 0.00 54.13 55.96 1otg s LEU 100 Cb -0.02 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.68 1otg s LEU 100 CO 0.11 -0.78 0.23 -0.22 0.02 0.00 0.00 176.35 175.70 1otg s LEU 101 N 3.56 1.08 -0.11 1.79 2.96 -1.26 -3.19 118.68 123.51 1otg s LEU 101 Ca 0.55 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1otg s LEU 101 Cb -0.21 0.78 0.01 0.00 0.50 0.00 0.00 46.19 47.27 1otg s LEU 101 CO 0.15 -0.08 -0.16 0.00 -1.32 0.00 0.00 176.35 174.94 1otg s ALA 102 N 0.19 1.73 -0.13 5.97 0.00 -0.62 -5.00 121.76 123.89 1otg s ALA 102 Ca -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1otg s ALA 102 Cb -0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1otg s ALA 102 CO -0.00 -0.03 -0.05 -0.51 0.00 0.00 0.00 175.76 175.17 1otg s LEU 103 N 0.90 3.22 -0.08 0.00 1.02 -1.26 -1.34 118.68 121.14 1otg s LEU 103 Ca -0.08 -0.10 -0.08 0.00 0.02 0.00 0.00 54.13 53.89 1otg s LEU 103 Cb -0.15 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.32 1otg s LEU 103 CO -0.00 0.22 0.21 -0.94 0.02 0.00 0.00 176.35 175.86 1otg s SER 104 N 0.03 -0.21 -0.11 2.29 1.04 -0.87 -5.01 113.70 110.86 1otg s SER 104 Ca -0.00 0.40 -0.06 0.00 0.48 0.00 0.00 55.95 56.77 1otg s SER 104 Cb -0.13 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.46 1otg s SER 104 CO 0.03 -0.09 0.26 0.12 0.98 0.00 0.00 173.24 174.54 1otg s PHE 105 N 0.03 -0.35 0.03 5.02 5.36 -1.26 -1.29 117.98 125.52 1otg s PHE 105 Ca -0.01 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 56.81 1otg s PHE 105 Cb -0.02 0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 1otg s PHE 105 CO 0.00 -0.24 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.45 1otg s GLU 106 N 1.17 0.53 -0.19 10.12 2.12 -0.54 -5.00 118.70 126.90 1otg s GLU 106 Ca -0.09 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 1otg s GLU 106 Cb -0.09 -0.36 -0.00 0.00 0.26 0.00 0.00 34.13 33.93 1otg s GLU 106 CO -0.08 0.08 -0.10 0.42 -0.54 0.00 0.00 175.26 175.04 1otg s ILE 107 N -1.05 2.99 0.13 -3.70 1.01 -1.26 -0.30 121.20 119.01 1otg s ILE 107 Ca -0.06 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1otg s ILE 107 Cb -0.08 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1otg s ILE 107 CO 0.00 0.47 -0.17 -1.61 0.00 0.00 0.00 174.94 173.63 1otg s GLU 108 N 1.24 1.13 -0.02 2.79 2.02 -0.48 -4.97 118.70 120.40 1otg s GLU 108 Ca 0.03 -1.28 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 1otg s GLU 108 Cb -0.14 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.90 1otg s GLU 108 CO -0.04 0.24 0.12 -1.21 0.02 0.00 0.00 175.26 174.39 1otg s GLU 109 N -2.55 3.24 0.71 1.61 2.02 -1.26 0.17 118.70 122.65 1otg s GLU 109 Ca 0.11 -0.38 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 1otg s GLU 109 Cb -0.06 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.20 1otg s GLU 109 CO 0.05 0.67 1.09 -0.51 0.02 0.00 0.00 175.26 176.58 1otg s LEU 110 N -1.71 2.91 0.23 1.80 1.43 0.12 -4.85 118.68 118.60 1otg s LEU 110 Ca 0.23 1.23 -0.32 0.00 -1.03 0.00 0.00 54.13 54.25 1otg s LEU 110 Cb -0.12 -4.03 -0.12 0.00 0.03 0.00 0.00 46.19 41.94 1otg s LEU 110 CO 0.14 -1.39 1.63 1.57 0.23 0.00 0.00 176.35 178.53 1otg n HIS 111 N -3.05 2.66 -0.22 0.29 -0.00 -1.26 -4.13 115.22 109.50 1otg n HIS 111 Ca 0.07 0.18 0.15 0.00 -0.00 0.00 0.00 57.72 58.12 1otg n HIS 111 Cb 0.56 -2.61 0.46 0.00 -0.00 0.00 0.00 29.99 28.41 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 5.74 0.49 0.00 1.57 0.11 -1.96 -3.33 132.00 134.63 1otg h PRO 112 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1otg h PRO 112 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1otg h PRO 112 CO 0.87 0.33 -0.91 0.25 -0.21 0.00 0.00 178.00 178.33 1otg n THR 113 N -4.52 0.00 -1.67 -1.15 -2.24 -1.26 -4.82 114.28 98.62 1otg n THR 113 Ca 0.17 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 1otg n THR 113 Cb 0.55 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.86 7.70 -4.08 3.22 4.77 -1.25 -4.86 117.00 120.65 1otg n LEU 114 Ca 0.00 -4.49 -0.30 0.00 -0.03 0.00 0.00 56.01 51.19 1otg n LEU 114 Cb 0.45 -1.39 -0.17 0.00 -2.33 0.00 0.00 43.42 39.99 1otg n LEU 114 CO 0.00 1.98 -0.50 0.21 -1.33 0.00 0.00 177.39 177.74 1otg s ASN 115 N 0.90 2.66 0.01 -1.43 3.84 -1.26 -4.73 114.94 114.93 1otg s ASN 115 Ca 0.60 -0.49 0.05 0.00 0.21 0.00 0.00 52.86 53.23 1otg s ASN 115 Cb 0.23 -1.20 -0.02 0.00 -0.55 0.00 0.00 41.25 39.71 1otg s ASN 115 CO -0.10 0.02 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.71 1otg s PHE 116 N 1.06 1.32 0.04 0.43 0.40 -1.26 -5.14 117.98 114.82 1otg s PHE 116 Ca -0.04 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 1otg s PHE 116 Cb -0.15 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.60 1otg s PHE 116 CO -0.04 0.01 0.39 -1.59 0.70 0.00 0.00 175.22 174.69 1otg s LYS 117 N -0.71 0.88 -0.29 0.44 -2.85 -1.26 -5.12 119.74 110.84 1otg s LYS 117 Ca 0.04 -0.36 0.02 0.00 -1.00 0.00 0.00 55.97 54.68 1otg s LYS 117 Cb -0.07 0.39 0.18 0.00 -2.06 0.00 0.00 37.83 36.28 1otg s LYS 117 CO 0.00 -0.29 0.54 -1.14 0.10 0.00 0.00 175.35 174.56 1otg s GLN 118 N -2.36 0.52 -0.26 1.78 0.74 -1.26 -5.14 119.66 113.68 1otg s GLN 118 Ca -0.06 0.63 -0.02 0.00 0.05 0.00 0.00 55.36 55.96 1otg s GLN 118 Cb -0.01 0.19 0.08 0.00 1.10 0.00 0.00 33.01 34.37 1otg s GLN 118 CO -0.02 -0.87 0.06 1.21 -0.55 0.00 0.00 175.29 175.13 1otg s ASN 119 N 2.77 3.53 0.00 6.67 3.04 -1.26 -5.04 114.94 124.65 1otg s ASN 119 Ca 0.14 -1.25 0.19 0.00 0.04 0.00 0.00 52.86 51.97 1otg s ASN 119 Cb -0.12 -0.74 1.11 0.00 -1.54 0.00 0.00 41.25 39.96 1otg s ASN 119 CO -0.24 -0.36 1.61 -0.46 -3.04 0.00 0.00 177.10 174.61 1otg n ASN 120 N 4.95 0.00 0.10 -4.21 2.04 -1.26 -3.92 115.26 112.96 1otg n ASN 120 Ca -0.06 -1.09 0.12 0.00 -0.44 0.00 0.00 54.58 53.11 1otg n ASN 120 Cb 0.44 0.00 0.14 0.00 -2.53 0.00 0.00 39.78 37.83 1otg n ASN 120 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1otg h VAL 121 N 0.00 0.00 -0.42 3.53 -1.51 -1.96 -3.29 116.25 112.60 1otg h VAL 121 Ca 0.00 -0.71 0.12 0.00 -1.23 0.00 0.00 66.70 64.88 1otg h VAL 121 Cb 0.00 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1otg h VAL 121 CO 0.00 0.00 0.34 0.45 -1.23 0.00 0.00 177.57 177.13 1otg h HIS 122 N 0.00 0.00 -0.92 5.19 3.86 -1.86 0.16 115.15 121.58 1otg h HIS 122 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1otg h HIS 122 Cb 0.86 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 1otg h HIS 122 CO 0.00 0.00 0.60 0.00 0.86 0.00 0.00 177.93 179.39 1otg h ALA 123 N 1.72 1.41 -0.17 2.45 0.00 -1.86 -2.82 119.26 119.99 1otg h ALA 123 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1otg h ALA 123 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1otg h ALA 123 CO -0.00 0.50 -0.15 -0.07 0.00 0.00 0.00 179.25 179.52 1otg h LEU 124 N 1.15 0.27 0.00 0.00 4.07 -1.18 -3.42 115.31 116.20 1otg h LEU 124 Ca 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1otg h LEU 124 Cb 0.01 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1otg h LEU 124 CO -0.11 0.45 0.00 0.49 -1.08 0.00 0.00 178.44 178.19 1otg n PHE 125 N -4.24 0.00 -0.87 1.13 3.01 -1.08 -5.18 117.46 110.23 1otg n PHE 125 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1otg n PHE 125 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1otg n PHE 125 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94