#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ilb h GLN 3 N 0.00 0.75 -0.74 1.43 1.08 -2.02 -3.12 115.11 112.49 3ilb h GLN 3 Ca 0.00 -0.49 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3ilb h GLN 3 Cb 0.00 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 3ilb h GLN 3 CO 0.00 1.12 0.34 0.66 -0.95 0.00 0.00 178.83 180.00 3ilb h SER 4 N 0.57 0.98 -0.19 1.46 4.64 -2.05 -0.59 113.55 118.36 3ilb h SER 4 Ca 0.00 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3ilb h SER 4 Cb 1.17 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3ilb h SER 4 CO 0.12 0.84 0.02 0.78 -0.87 0.00 0.00 176.83 177.72 3ilb h ASN 5 N 1.04 0.40 -0.07 4.97 2.35 -1.99 0.60 115.58 122.89 3ilb h ASN 5 Ca 0.25 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3ilb h ASN 5 Cb 0.14 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3ilb h ASN 5 CO -0.03 0.46 -0.34 -0.09 -1.65 0.00 0.00 177.43 175.78 3ilb h ARG 6 N 0.43 0.55 -0.29 0.81 2.43 -1.28 -1.80 114.38 115.22 3ilb h ARG 6 Ca 0.10 -0.25 -0.16 0.00 -0.81 0.00 0.00 59.98 58.86 3ilb h ARG 6 Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3ilb h ARG 6 CO 0.00 0.82 -0.44 1.49 -1.51 0.00 0.00 179.97 180.33 3ilb h GLU 7 N 0.47 0.75 -0.10 0.20 4.81 -0.29 -0.63 114.58 119.78 3ilb h GLU 7 Ca 0.05 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3ilb h GLU 7 Cb 0.81 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3ilb h GLU 7 CO 0.07 1.04 0.05 -0.07 -0.73 0.00 0.00 179.01 179.36 3ilb h LEU 8 N 0.60 0.14 0.13 1.64 3.38 -0.82 -1.55 115.31 118.83 3ilb h LEU 8 Ca 0.04 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ilb h LEU 8 Cb 1.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3ilb h LEU 8 CO 0.10 0.22 -0.17 0.58 0.09 0.00 0.00 178.44 179.25 3ilb h VAL 9 N 0.05 0.61 -0.36 1.22 2.07 -1.11 -0.24 116.25 118.49 3ilb h VAL 9 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3ilb h VAL 9 Cb 0.12 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3ilb h VAL 9 CO -0.00 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 178.00 3ilb h VAL 10 N -0.35 1.26 -0.14 2.57 2.07 -1.08 -1.44 116.25 119.14 3ilb h VAL 10 Ca 0.01 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 3ilb h VAL 10 Cb 0.35 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ilb h VAL 10 CO -0.07 0.40 0.01 -0.78 0.02 0.00 0.00 177.57 177.15 3ilb h ASP 11 N 0.59 0.22 -0.21 0.57 3.58 -0.97 -1.84 116.42 118.37 3ilb h ASP 11 Ca 0.10 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.27 3ilb h ASP 11 Cb 0.62 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3ilb h ASP 11 CO 0.04 0.45 0.13 0.15 -2.88 0.00 0.00 179.24 177.13 3ilb h PHE 12 N -0.01 0.24 0.25 0.28 3.04 -0.63 -1.28 116.94 118.82 3ilb h PHE 12 Ca 0.04 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3ilb h PHE 12 Cb 0.32 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3ilb h PHE 12 CO 0.02 0.14 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.17 3ilb h LEU 13 N 0.26 -0.57 -0.49 0.59 3.38 -1.30 -0.63 115.31 116.55 3ilb h LEU 13 Ca 0.08 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.20 3ilb h LEU 13 Cb -0.01 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3ilb h LEU 13 CO -0.04 -0.33 -0.11 0.28 0.09 0.00 0.00 178.44 178.33 3ilb h SER 14 N -0.48 -0.44 -0.44 -0.43 0.02 -1.31 -0.04 113.55 110.43 3ilb h SER 14 Ca -0.01 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3ilb h SER 14 Cb 0.44 0.30 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 3ilb h SER 14 CO -0.03 -0.16 -0.02 0.22 -1.14 0.00 0.00 176.83 175.70 3ilb h TYR 15 N 0.01 -0.06 -0.41 3.45 3.20 -0.98 -2.14 116.97 120.03 3ilb h TYR 15 Ca 0.23 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.01 3ilb h TYR 15 Cb 0.36 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3ilb h TYR 15 CO -0.41 -0.11 -0.26 0.87 -1.64 0.00 0.00 178.16 176.61 3ilb h LYS 16 N 0.09 0.85 0.47 1.82 1.79 -0.29 -1.97 116.57 119.33 3ilb h LYS 16 Ca 0.22 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3ilb h LYS 16 Cb 0.33 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3ilb h LYS 16 CO -0.38 1.01 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.70 3ilb h LEU 17 N 0.73 -0.54 -1.34 2.94 3.38 -0.86 -2.58 115.31 117.04 3ilb h LEU 17 Ca 0.09 -0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.34 3ilb h LEU 17 Cb 0.80 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 3ilb h LEU 17 CO 0.07 -0.30 0.71 -1.28 0.09 0.00 0.00 178.44 177.73 3ilb h SER 18 N -0.75 0.40 0.27 -0.43 0.87 -0.68 0.85 113.55 114.08 3ilb h SER 18 Ca -0.06 0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 3ilb h SER 18 Cb 0.54 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3ilb h SER 18 CO 0.11 -0.01 -0.60 -0.61 -0.53 0.00 0.00 176.83 175.19 3ilb h GLN 19 N 0.30 0.33 -0.33 2.24 4.15 -1.05 -2.31 115.11 118.44 3ilb h GLN 19 Ca 0.67 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.86 3ilb h GLN 19 Cb 1.81 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.54 3ilb h GLN 19 CO -0.36 0.83 0.00 1.63 -1.93 0.00 0.00 178.83 179.00 3ilb n LYS 20 N -3.89 1.93 -0.49 1.69 4.01 -0.75 -4.90 118.16 115.77 3ilb n LYS 20 Ca -0.03 -1.43 0.00 0.00 -0.51 0.00 0.00 58.31 56.34 3ilb n LYS 20 Cb 0.62 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.78 3ilb n LYS 20 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ilb n GLY 21 N 1.18 0.75 0.62 0.72 0.00 -0.87 -5.06 105.19 102.54 3ilb n GLY 21 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3ilb n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ilb n TYR 22 N -2.49 -1.40 -3.94 1.61 4.01 0.29 -4.91 117.16 110.33 3ilb n TYR 22 Ca 0.00 -0.38 -0.10 0.00 -0.16 0.00 0.00 57.90 57.26 3ilb n TYR 22 Cb 0.00 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 38.84 3ilb n TYR 22 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ilb s SER 23 N -1.53 0.15 0.31 7.72 1.04 -1.26 -1.83 113.70 118.30 3ilb s SER 23 Ca 0.05 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.22 3ilb s SER 23 Cb -0.00 0.07 0.74 0.00 0.10 0.00 0.00 66.02 66.93 3ilb s SER 23 CO 0.03 -0.20 1.78 -0.25 0.98 0.00 0.00 173.24 175.58 3ilb h TRP 24 N 5.14 1.06 0.00 5.02 2.91 -1.92 -3.47 115.95 124.70 3ilb h TRP 24 Ca -0.29 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.76 3ilb h TRP 24 Cb 1.21 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 3ilb h TRP 24 CO 0.57 0.25 -0.10 -1.13 -1.03 0.00 0.00 178.44 177.00 3ilb n SER 25 N -4.75 0.09 -4.27 2.65 3.41 -1.26 -4.86 113.62 104.63 3ilb n SER 25 Ca 0.23 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 3ilb n SER 25 Cb 0.57 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.58 3ilb n SER 25 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ilb s GLY 70 N -4.84 2.04 -0.03 5.00 0.00 -1.26 -5.19 107.32 103.04 3ilb s GLY 70 Ca 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 44.72 42.31 3ilb s GLY 70 CO 0.00 1.10 0.01 0.30 0.00 0.00 0.00 173.10 174.51 3ilb s HIS 71 N 1.47 0.23 0.34 1.90 4.02 -1.26 -5.16 115.29 116.83 3ilb s HIS 71 Ca 0.04 0.05 0.07 0.00 1.02 0.00 0.00 55.06 56.24 3ilb s HIS 71 Cb -0.26 -0.39 -0.01 0.00 -1.02 0.00 0.00 32.58 30.89 3ilb s HIS 71 CO 0.02 -0.14 0.42 -1.54 1.02 0.00 0.00 174.74 174.52 3ilb s SER 72 N 1.20 5.72 0.60 1.40 1.04 -1.26 -5.10 113.70 117.30 3ilb s SER 72 Ca -0.07 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.85 3ilb s SER 72 Cb -0.13 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.85 3ilb s SER 72 CO -0.02 -0.43 1.31 -0.44 0.98 0.00 0.00 173.24 174.64 3ilb s SER 73 N -4.12 4.96 0.89 7.02 0.01 -1.26 -5.03 113.70 116.16 3ilb s SER 73 Ca 0.44 2.66 -0.11 0.00 1.31 0.00 0.00 55.95 60.25 3ilb s SER 73 Cb -0.08 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.65 3ilb s SER 73 CO 0.30 -1.77 1.10 -0.94 0.41 0.00 0.00 173.24 172.34 3ilb s SER 74 N -1.23 3.43 0.27 2.44 1.04 -1.26 -4.97 113.70 113.42 3ilb s SER 74 Ca 0.77 1.78 -0.04 0.00 0.48 0.00 0.00 55.95 58.94 3ilb s SER 74 Cb -0.38 -2.40 0.34 0.00 0.10 0.00 0.00 66.02 63.68 3ilb s SER 74 CO 0.42 -2.71 1.92 -0.07 0.98 0.00 0.00 173.24 173.78 3ilb h LEU 75 N -1.60 1.04 -2.39 2.42 3.38 -2.01 -2.81 115.31 113.34 3ilb h LEU 75 Ca -0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3ilb h LEU 75 Cb 1.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ilb h LEU 75 CO 0.50 0.79 -0.03 -2.24 0.09 0.00 0.00 178.44 177.54 3ilb h ASP 76 N 1.21 0.00 -3.31 -0.43 2.03 -2.01 -3.42 116.42 110.49 3ilb h ASP 76 Ca 0.32 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 56.05 3ilb h ASP 76 Cb -0.08 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 38.54 3ilb h ASP 76 CO -0.06 0.03 0.40 0.00 -1.03 0.00 0.00 179.24 178.58 3ilb n ALA 77 N -2.20 0.94 -0.07 4.15 0.00 -1.06 -4.98 120.51 117.28 3ilb n ALA 77 Ca -0.02 0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 3ilb n ALA 77 Cb 0.15 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.27 3ilb n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ilb h ARG 78 N 2.06 0.00 -5.22 0.00 9.65 -1.88 -3.42 114.38 115.57 3ilb h ARG 78 Ca -0.46 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 57.80 3ilb h ARG 78 Cb 1.30 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.75 3ilb h ARG 78 CO 0.60 0.97 -0.27 -1.83 2.80 0.00 0.00 179.97 182.24 3ilb s GLU 79 N -2.22 4.07 0.00 0.20 -1.05 -1.26 -4.92 118.70 113.52 3ilb s GLU 79 Ca -0.20 0.04 0.11 0.00 -0.15 0.00 0.00 54.97 54.77 3ilb s GLU 79 Cb -0.02 -3.61 -0.06 0.00 -0.44 0.00 0.00 34.13 30.00 3ilb s GLU 79 CO 0.65 -0.16 0.57 0.28 0.95 0.00 0.00 175.26 177.55 3ilb n VAL 80 N 4.78 0.00 -2.98 1.83 0.31 -1.26 -4.95 118.33 116.07 3ilb n VAL 80 Ca -0.09 -0.31 -0.40 0.00 -0.01 0.00 0.00 64.34 63.53 3ilb n VAL 80 Cb 0.51 1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 34.46 3ilb n VAL 80 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3ilb s ILE 81 N -1.76 4.92 0.23 2.52 -1.16 -1.26 -4.59 121.20 120.10 3ilb s ILE 81 Ca 0.07 1.60 -0.31 0.00 -0.51 0.00 0.00 60.65 61.49 3ilb s ILE 81 Cb 0.09 -4.11 -0.11 0.00 0.61 0.00 0.00 42.46 38.94 3ilb s ILE 81 CO 0.37 0.27 1.56 -2.16 -2.81 0.00 0.00 174.94 172.18 3ilb s PRO 82 N 0.56 4.19 0.35 3.50 0.04 -1.26 -4.91 135.00 137.47 3ilb s PRO 82 Ca 0.40 2.44 0.16 0.00 0.04 0.00 0.00 61.00 64.04 3ilb s PRO 82 Cb -0.19 -3.10 1.19 0.00 0.04 0.00 0.00 34.50 32.44 3ilb s PRO 82 CO 0.21 -0.59 1.57 -0.12 0.04 0.00 0.00 177.00 178.11 3ilb n MET 83 N 3.08 -0.06 -0.07 4.56 0.00 -1.26 -0.45 117.12 122.91 3ilb n MET 83 Ca 0.11 1.40 0.17 0.00 -0.00 0.00 0.00 57.70 59.38 3ilb n MET 83 Cb 0.38 -2.44 0.59 0.00 0.00 0.00 0.00 33.22 31.75 3ilb n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ilb h ALA 84 N 1.99 2.26 0.00 -5.12 0.00 -1.99 0.10 119.26 116.51 3ilb h ALA 84 Ca 0.78 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.47 3ilb h ALA 84 Cb 1.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 3ilb h ALA 84 CO -0.81 -0.42 -1.40 0.00 0.00 0.00 0.00 179.25 176.61 3ilb h ALA 85 N 1.70 0.67 0.06 0.00 0.00 -1.14 -1.30 119.26 119.26 3ilb h ALA 85 Ca 0.29 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3ilb h ALA 85 Cb 0.84 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ilb h ALA 85 CO -0.06 1.14 -0.03 0.28 0.00 0.00 0.00 179.25 180.58 3ilb h VAL 86 N 0.00 1.08 -0.57 0.00 2.07 -0.78 -2.45 116.25 115.60 3ilb h VAL 86 Ca -0.18 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3ilb h VAL 86 Cb 1.72 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3ilb h VAL 86 CO 0.06 0.12 0.32 0.11 0.02 0.00 0.00 177.57 178.20 3ilb h LYS 87 N -0.30 0.59 -0.50 1.57 1.57 -0.90 -0.54 116.57 118.07 3ilb h LYS 87 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3ilb h LYS 87 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3ilb h LYS 87 CO 0.01 0.39 0.23 0.37 -0.57 0.00 0.00 179.45 179.88 3ilb h GLN 88 N 0.61 0.72 -0.06 3.15 5.75 -1.25 0.10 115.11 124.14 3ilb h GLN 88 Ca 0.24 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3ilb h GLN 88 Cb 0.11 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3ilb h GLN 88 CO -0.14 0.61 -0.32 0.00 -2.65 0.00 0.00 178.83 176.33 3ilb h ALA 89 N 1.07 1.37 0.17 3.38 0.00 -0.93 -2.43 119.26 121.89 3ilb h ALA 89 Ca 0.17 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 3ilb h ALA 89 Cb 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ilb h ALA 89 CO -0.02 0.45 -1.18 1.25 0.00 0.00 0.00 179.25 179.76 3ilb h LEU 90 N 0.10 0.55 -0.66 0.00 5.85 -0.57 -1.71 115.31 118.87 3ilb h LEU 90 Ca 0.01 -0.92 0.12 0.00 0.84 0.00 0.00 57.88 57.93 3ilb h LEU 90 Cb 0.61 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.34 3ilb h LEU 90 CO 0.04 1.55 -0.25 0.03 -0.34 0.00 0.00 178.44 179.47 3ilb h ARG 91 N -0.20 -0.07 -0.34 1.25 3.08 -0.99 0.13 114.38 117.23 3ilb h ARG 91 Ca -0.22 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 3ilb h ARG 91 Cb 1.83 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 3ilb h ARG 91 CO 0.16 -0.05 -0.25 0.93 -1.07 0.00 0.00 179.97 179.69 3ilb h GLU 92 N -0.08 0.77 -0.53 0.04 5.08 -1.40 -0.14 114.58 118.33 3ilb h GLU 92 Ca 0.29 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3ilb h GLU 92 Cb 0.54 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3ilb h GLU 92 CO -0.71 1.00 -0.10 0.00 -1.00 0.00 0.00 179.01 178.19 3ilb h ALA 93 N 0.76 0.82 -0.40 3.43 0.00 -1.13 0.43 119.26 123.16 3ilb h ALA 93 Ca 0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3ilb h ALA 93 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ilb h ALA 93 CO 0.07 0.66 -0.24 0.78 0.00 0.00 0.00 179.25 180.52 3ilb h GLY 94 N 0.95 0.89 0.97 0.00 0.00 -0.61 0.24 103.07 105.51 3ilb h GLY 94 Ca 0.14 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3ilb h GLY 94 CO 0.05 0.71 0.19 -0.55 0.00 0.00 0.00 176.54 176.94 3ilb h ASP 95 N 0.71 0.40 -0.81 0.19 3.32 -0.87 -0.56 116.42 118.80 3ilb h ASP 95 Ca 0.09 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3ilb h ASP 95 Cb 0.76 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 3ilb h ASP 95 CO 0.06 0.35 0.34 -0.33 -1.72 0.00 0.00 179.24 177.94 3ilb h GLU 96 N 0.42 1.21 -0.17 3.56 4.39 -0.64 -2.37 114.58 120.98 3ilb h GLU 96 Ca 0.12 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3ilb h GLU 96 Cb 0.02 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3ilb h GLU 96 CO -0.02 0.96 0.06 0.35 -1.16 0.00 0.00 179.01 179.20 3ilb h PHE 97 N 1.18 0.27 -0.75 4.33 3.04 -0.34 -2.37 116.94 122.29 3ilb h PHE 97 Ca 0.27 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.39 3ilb h PHE 97 Cb 0.19 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 3ilb h PHE 97 CO 0.02 0.35 0.52 1.49 -2.02 0.00 0.00 178.31 178.67 3ilb h GLU 98 N 0.11 0.20 0.10 1.11 4.81 -0.91 -2.25 114.58 117.74 3ilb h GLU 98 Ca 0.06 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 3ilb h GLU 98 Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3ilb h GLU 98 CO -0.00 0.13 -1.17 -0.07 -0.73 0.00 0.00 179.01 177.17 3ilb h LEU 99 N 0.20 0.40 -0.25 1.64 3.38 -1.00 -3.32 115.31 116.36 3ilb h LEU 99 Ca 0.37 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3ilb h LEU 99 Cb 1.16 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ilb h LEU 99 CO -0.07 1.30 -0.40 -0.09 0.09 0.00 0.00 178.44 179.26 3ilb h ARG 100 N 0.09 0.71 -3.35 1.13 1.12 -1.22 -3.39 114.38 109.47 3ilb h ARG 100 Ca -0.11 -0.43 -0.68 0.00 -1.11 0.00 0.00 59.98 57.64 3ilb h ARG 100 Cb 1.89 0.04 -0.37 0.00 -0.01 0.00 0.00 29.97 31.52 3ilb h ARG 100 CO 0.19 1.05 -0.32 0.71 -3.11 0.00 0.00 179.97 178.50 3ilb s TYR 101 N -4.16 3.62 0.12 2.20 2.02 -0.87 -4.88 117.35 115.39 3ilb s TYR 101 Ca -0.12 -3.01 -0.31 0.00 -0.37 0.00 0.00 57.07 53.26 3ilb s TYR 101 Cb 0.08 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.47 3ilb s TYR 101 CO 0.85 -0.73 1.59 0.00 -1.57 0.00 0.00 175.55 175.68 3ilb h ARG 102 N 6.23 -0.60 -0.71 -0.62 2.47 -1.78 -3.31 114.38 116.05 3ilb h ARG 102 Ca 0.08 0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.96 3ilb h ARG 102 Cb 0.85 0.14 -0.13 0.00 -1.65 0.00 0.00 29.97 29.18 3ilb h ARG 102 CO 0.77 -0.40 -0.36 0.07 0.56 0.00 0.00 179.97 180.61 3ilb h ARG 103 N -0.62 -0.12 -6.66 0.04 0.11 -1.94 -3.48 114.38 101.71 3ilb h ARG 103 Ca 0.03 0.01 -0.58 0.00 0.10 0.00 0.00 59.98 59.54 3ilb h ARG 103 Cb 0.67 0.03 0.13 0.00 1.11 0.00 0.00 29.97 31.90 3ilb h ARG 103 CO -0.27 -0.08 0.20 0.00 0.10 0.00 0.00 179.97 179.92 3ilb n ALA 104 N -3.24 0.29 0.00 0.08 0.00 -1.25 -2.74 120.51 113.66 3ilb n ALA 104 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3ilb n ALA 104 Cb 0.37 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3ilb n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ilb n PHE 105 N -0.45 0.00 -0.14 0.00 3.72 -1.26 -4.90 117.46 114.43 3ilb n PHE 105 Ca 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.45 3ilb n PHE 105 Cb 0.39 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 3ilb n PHE 105 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ilb h SER 106 N 0.00 -0.60 -0.71 4.37 0.02 -1.89 4.46 113.55 119.20 3ilb h SER 106 Ca 0.00 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3ilb h SER 106 Cb 0.00 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3ilb h SER 106 CO 0.00 -0.21 0.26 0.44 -1.14 0.00 0.00 176.83 176.18 3ilb h ASP 107 N -0.07 1.00 0.43 3.07 3.45 -1.91 -1.02 116.42 121.37 3ilb h ASP 107 Ca 0.22 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 3ilb h ASP 107 Cb 0.41 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3ilb h ASP 107 CO -0.51 0.92 -0.21 -0.07 -1.57 0.00 0.00 179.24 177.81 3ilb h LEU 108 N 1.03 -0.49 -1.54 1.55 4.07 -0.79 0.56 115.31 119.69 3ilb h LEU 108 Ca 0.23 -0.08 0.14 0.00 0.08 0.00 0.00 57.88 58.25 3ilb h LEU 108 Cb 0.25 0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 3ilb h LEU 108 CO -0.01 -0.07 0.50 0.71 -1.08 0.00 0.00 178.44 178.49 3ilb h THR 109 N -1.04 0.82 0.00 0.22 1.35 0.84 0.15 112.91 115.26 3ilb h THR 109 Ca -0.06 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.60 3ilb h THR 109 Cb 0.54 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3ilb h THR 109 CO 0.10 0.09 -0.68 0.28 -0.25 0.00 0.00 175.52 175.05 3ilb h SER 110 N 0.47 0.00 -0.16 5.36 0.02 -1.18 -2.30 113.55 115.75 3ilb h SER 110 Ca 0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 3ilb h SER 110 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3ilb h SER 110 CO -0.13 0.16 0.01 1.56 -1.14 0.00 0.00 176.83 177.30 3ilb h GLN 111 N 0.00 0.28 -0.34 3.45 4.20 0.88 -3.31 115.11 120.27 3ilb h GLN 111 Ca -0.03 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.65 3ilb h GLN 111 Cb 1.15 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3ilb h GLN 111 CO 0.02 0.49 0.08 1.25 -0.67 0.00 0.00 178.83 179.99 3ilb h LEU 112 N 0.04 0.03 -3.20 1.46 6.46 -0.52 -3.47 115.31 116.12 3ilb h LEU 112 Ca 0.05 0.05 -0.32 0.00 -0.12 0.00 0.00 57.88 57.54 3ilb h LEU 112 Cb 0.36 0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3ilb h LEU 112 CO 0.01 0.05 -0.69 1.57 -0.62 0.00 0.00 178.44 178.76 3ilb n HIS 113 N -5.08 -2.33 -2.63 1.25 -0.00 -0.88 -4.83 115.22 100.72 3ilb n HIS 113 Ca 0.01 0.86 -0.43 0.00 -0.00 0.00 0.00 57.72 58.16 3ilb n HIS 113 Cb 0.15 -3.34 -0.02 0.00 -0.00 0.00 0.00 29.99 26.77 3ilb n HIS 113 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3ilb s ILE 114 N -3.08 4.65 0.27 3.57 -1.16 -1.26 -4.91 121.20 119.28 3ilb s ILE 114 Ca 0.09 1.96 0.03 0.00 -0.51 0.00 0.00 60.65 62.22 3ilb s ILE 114 Cb -0.03 -4.26 -0.01 0.00 0.61 0.00 0.00 42.46 38.76 3ilb s ILE 114 CO 0.84 -0.09 0.12 0.35 -2.81 0.00 0.00 174.94 173.35 3ilb n THR 115 N 4.99 0.00 0.83 4.00 -2.24 -1.26 -5.01 114.28 115.58 3ilb n THR 115 Ca 0.11 -1.64 0.07 0.00 -2.27 0.00 0.00 64.05 60.32 3ilb n THR 115 Cb 0.47 0.64 0.40 0.00 -2.10 0.00 0.00 70.33 69.74 3ilb n THR 115 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ilb n PRO 116 N -0.59 0.37 0.02 -0.78 -0.02 -1.26 -2.92 135.00 129.82 3ilb n PRO 116 Ca -0.02 0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 3ilb n PRO 116 Cb 0.42 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 3ilb n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ilb n GLY 117 N -0.10 -1.12 3.70 -1.23 0.00 -1.26 -4.98 105.19 100.20 3ilb n GLY 117 Ca 0.10 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 3ilb n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ilb n THR 118 N -2.19 0.07 -2.27 2.61 -1.04 -1.15 -5.00 114.28 105.31 3ilb n THR 118 Ca -0.01 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.72 3ilb n THR 118 Cb 0.52 -1.77 0.05 0.00 -1.82 0.00 0.00 70.33 67.31 3ilb n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ilb s ALA 119 N 0.97 3.22 0.23 2.41 0.00 -1.26 -4.95 121.76 122.38 3ilb s ALA 119 Ca 0.76 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3ilb s ALA 119 Cb -0.59 -2.61 0.23 0.00 0.00 0.00 0.00 23.12 20.16 3ilb s ALA 119 CO 0.36 -1.10 1.79 -0.92 0.00 0.00 0.00 175.76 175.90 3ilb h TYR 120 N -0.43 1.12 -0.53 0.00 3.20 -2.00 -3.16 116.97 115.17 3ilb h TYR 120 Ca -0.45 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.41 3ilb h TYR 120 Cb 1.29 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 3ilb h TYR 120 CO 0.39 0.86 0.35 1.96 -1.64 0.00 0.00 178.16 180.09 3ilb h GLN 121 N 1.06 0.41 -0.23 1.82 7.50 -1.99 0.10 115.11 123.79 3ilb h GLN 121 Ca 0.24 -0.02 -0.19 0.00 0.50 0.00 0.00 58.65 59.17 3ilb h GLN 121 Cb 0.24 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.68 3ilb h GLN 121 CO -0.02 0.27 -0.62 0.77 -1.50 0.00 0.00 178.83 177.73 3ilb h SER 122 N 0.42 0.90 -0.29 1.46 0.02 -1.95 -1.57 113.55 112.54 3ilb h SER 122 Ca 0.23 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3ilb h SER 122 Cb 0.38 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3ilb h SER 122 CO -0.06 1.31 0.18 0.15 -1.14 0.00 0.00 176.83 177.26 3ilb h PHE 123 N 0.59 0.33 -0.16 3.45 3.57 -1.29 -1.66 116.94 121.78 3ilb h PHE 123 Ca -0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3ilb h PHE 123 Cb 1.23 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3ilb h PHE 123 CO 0.07 0.20 -0.00 1.49 -2.23 0.00 0.00 178.31 177.84 3ilb h GLU 124 N 0.36 0.05 -0.48 1.11 4.81 -0.81 0.16 114.58 119.78 3ilb h GLU 124 Ca 0.11 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3ilb h GLU 124 Cb -0.01 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3ilb h GLU 124 CO -0.05 0.03 0.21 0.37 -0.73 0.00 0.00 179.01 178.84 3ilb h GLN 125 N 0.05 0.40 -0.17 1.92 4.15 -1.12 0.22 115.11 120.55 3ilb h GLN 125 Ca 0.07 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 3ilb h GLN 125 Cb 0.09 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3ilb h GLN 125 CO -0.13 0.26 -0.46 0.28 -1.93 0.00 0.00 178.83 176.85 3ilb h VAL 126 N 0.41 1.32 -0.24 2.39 2.07 -0.88 -3.18 116.25 118.15 3ilb h VAL 126 Ca 0.22 -1.66 -0.16 0.00 0.82 0.00 0.00 66.70 65.92 3ilb h VAL 126 Cb 0.18 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3ilb h VAL 126 CO -0.19 0.51 -0.47 0.58 0.02 0.00 0.00 177.57 178.02 3ilb h VAL 127 N 0.35 1.30 -1.64 2.57 2.07 -0.12 -2.60 116.25 118.18 3ilb h VAL 127 Ca 0.02 -1.67 0.51 0.00 0.82 0.00 0.00 66.70 66.38 3ilb h VAL 127 Cb 0.95 1.77 -0.11 0.00 -1.52 0.00 0.00 31.29 32.38 3ilb h VAL 127 CO 0.08 0.53 1.13 0.78 0.02 0.00 0.00 177.57 180.11 3ilb h ASN 128 N 0.46 0.11 1.01 0.57 -0.26 -0.56 0.26 115.58 117.16 3ilb h ASN 128 Ca 0.01 0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.71 3ilb h ASN 128 Cb 1.07 0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 38.39 3ilb h ASN 128 CO 0.10 -0.12 -0.53 -0.33 -1.06 0.00 0.00 177.43 175.50 3ilb h GLU 129 N 0.01 0.00 0.00 0.81 4.39 -1.48 -1.08 114.58 117.23 3ilb h GLU 129 Ca 0.89 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.56 3ilb h GLU 129 Cb 3.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.86 3ilb h GLU 129 CO -0.24 0.53 -0.17 1.25 -1.16 0.00 0.00 179.01 179.22 3ilb h LEU 130 N 0.00 0.00 -3.36 1.33 5.85 -0.58 -2.59 115.31 115.96 3ilb h LEU 130 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ilb h LEU 130 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ilb h LEU 130 CO 0.07 0.17 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 3ilb n PHE 131 N -4.10 1.63 -0.27 1.25 3.72 -0.49 -4.72 117.46 114.48 3ilb n PHE 131 Ca -0.02 -0.72 0.06 0.00 -0.05 0.00 0.00 57.45 56.72 3ilb n PHE 131 Cb 0.25 -0.38 0.17 0.00 -0.94 0.00 0.00 39.48 38.58 3ilb n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ilb h ARG 132 N 3.52 0.10 -0.05 -1.08 9.65 -0.92 0.45 114.38 126.05 3ilb h ARG 132 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3ilb h ARG 132 Cb 1.68 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.24 3ilb h ARG 132 CO 0.35 0.07 0.00 -0.25 2.80 0.00 0.00 179.97 182.93 3ilb n ASP 133 N -5.35 0.55 0.00 -3.80 8.00 -1.26 -5.04 116.55 109.64 3ilb n ASP 133 Ca 0.15 -1.52 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3ilb n ASP 133 Cb 0.50 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3ilb n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ilb n GLY 134 N 0.90 1.63 3.84 0.44 0.00 0.16 -5.04 105.19 107.13 3ilb n GLY 134 Ca 0.14 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 3ilb n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ilb s VAL 135 N -1.59 5.08 0.22 1.61 1.01 -1.26 -4.72 120.40 120.75 3ilb s VAL 135 Ca 0.00 0.74 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 3ilb s VAL 135 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3ilb s VAL 135 CO 0.00 0.55 0.59 0.54 0.00 0.00 0.00 175.10 176.78 3ilb s ASN 136 N -1.15 -0.29 0.25 3.32 4.22 -1.26 -5.05 114.94 114.97 3ilb s ASN 136 Ca 0.24 -0.49 -0.05 0.00 -2.14 0.00 0.00 52.86 50.42 3ilb s ASN 136 Cb -0.16 0.63 0.27 0.00 1.28 0.00 0.00 41.25 43.27 3ilb s ASN 136 CO 0.13 -1.14 1.82 -0.50 -2.04 0.00 0.00 177.10 175.37 3ilb h TRP 137 N 2.11 1.09 -0.51 1.54 4.06 -2.00 -2.07 115.95 120.18 3ilb h TRP 137 Ca -0.26 -0.07 0.06 0.00 2.06 0.00 0.00 58.89 60.67 3ilb h TRP 137 Cb 1.26 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 3ilb h TRP 137 CO 0.36 0.83 0.34 0.78 -3.56 0.00 0.00 178.44 177.19 3ilb h GLY 138 N 1.10 0.57 2.00 1.49 0.00 -2.00 -1.57 103.07 104.67 3ilb h GLY 138 Ca 0.24 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 3ilb h GLY 138 CO -0.02 0.14 -0.62 0.00 0.00 0.00 0.00 176.54 176.04 3ilb h ALA 139 N 1.72 0.77 -0.61 3.60 0.00 -1.76 -2.23 119.26 120.76 3ilb h ALA 139 Ca 0.22 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3ilb h ALA 139 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ilb h ALA 139 CO -0.06 0.78 -0.00 0.82 0.00 0.00 0.00 179.25 180.78 3ilb h ILE 140 N 0.00 1.27 -0.55 0.00 2.04 -0.75 -0.11 117.51 119.40 3ilb h ILE 140 Ca -0.01 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3ilb h ILE 140 Cb 1.26 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3ilb h ILE 140 CO 0.08 0.42 0.06 0.58 0.00 0.00 0.00 178.15 179.29 3ilb h VAL 141 N 0.99 1.25 -0.13 1.67 2.07 -1.33 -1.73 116.25 119.03 3ilb h VAL 141 Ca 0.17 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3ilb h VAL 141 Cb 0.57 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3ilb h VAL 141 CO 0.03 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3ilb h ALA 142 N 1.22 0.17 -0.59 1.67 0.00 -0.76 -1.41 119.26 119.55 3ilb h ALA 142 Ca 0.17 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ilb h ALA 142 Cb 0.42 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 3ilb h ALA 142 CO 0.01 -0.14 -0.42 0.35 0.00 0.00 0.00 179.25 179.05 3ilb h PHE 143 N -0.04 -1.23 -0.95 0.00 3.57 -0.95 0.35 116.94 117.70 3ilb h PHE 143 Ca 0.04 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3ilb h PHE 143 Cb 0.35 0.62 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 3ilb h PHE 143 CO 0.03 -0.42 0.62 0.74 -2.23 0.00 0.00 178.31 177.05 3ilb h PHE 144 N -0.21 1.16 -0.48 0.41 0.04 -1.09 -1.19 116.94 115.56 3ilb h PHE 144 Ca 0.19 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 3ilb h PHE 144 Cb 0.56 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3ilb h PHE 144 CO -0.70 0.67 0.01 1.03 -0.60 0.00 0.00 178.31 178.71 3ilb h SER 145 N 1.19 0.77 -0.40 2.17 0.87 -0.35 -0.09 113.55 117.71 3ilb h SER 145 Ca 0.38 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3ilb h SER 145 Cb 0.00 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3ilb h SER 145 CO -0.12 0.83 0.20 0.15 -0.53 0.00 0.00 176.83 177.35 3ilb h PHE 146 N 0.75 0.57 -0.13 2.24 3.57 0.19 -0.01 116.94 124.11 3ilb h PHE 146 Ca 0.15 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3ilb h PHE 146 Cb 0.44 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3ilb h PHE 146 CO 0.02 0.47 0.03 0.78 -2.23 0.00 0.00 178.31 177.38 3ilb h GLY 147 N 0.50 0.15 0.66 2.40 0.00 -0.86 0.29 103.07 106.21 3ilb h GLY 147 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.50 3ilb h GLY 147 CO -0.02 0.00 0.15 -1.33 0.00 0.00 0.00 176.54 175.35 3ilb h GLY 148 N 0.09 0.53 1.41 4.60 0.00 -0.83 -0.28 103.07 108.58 3ilb h GLY 148 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3ilb h GLY 148 CO -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 176.54 176.46 3ilb h ALA 149 N 1.26 1.13 -0.46 3.60 0.00 -0.73 -1.24 119.26 122.83 3ilb h ALA 149 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ilb h ALA 149 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ilb h ALA 149 CO -0.18 0.55 0.30 1.25 0.00 0.00 0.00 179.25 181.17 3ilb h LEU 150 N 0.67 0.50 -0.43 0.00 5.85 -0.34 -1.18 115.31 120.39 3ilb h LEU 150 Ca 0.13 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ilb h LEU 150 Cb 0.47 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ilb h LEU 150 CO 0.02 0.36 0.26 0.00 -0.34 0.00 0.00 178.44 178.74 3ilb h VAL 152 N 0.56 1.25 -0.49 0.00 2.07 -0.99 -2.31 116.25 116.34 3ilb h VAL 152 Ca 0.15 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3ilb h VAL 152 Cb 0.00 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3ilb h VAL 152 CO -0.03 0.30 0.16 -0.08 0.02 0.00 0.00 177.57 177.94 3ilb h GLU 153 N 1.18 0.76 -0.39 1.57 4.81 -1.06 -1.55 114.58 119.90 3ilb h GLU 153 Ca 0.29 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3ilb h GLU 153 Cb 0.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3ilb h GLU 153 CO -0.04 0.71 0.22 0.77 -0.73 0.00 0.00 179.01 179.93 3ilb h SER 154 N 0.66 0.49 -0.30 1.04 0.02 -1.21 -0.66 113.55 113.59 3ilb h SER 154 Ca 0.16 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3ilb h SER 154 Cb 0.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3ilb h SER 154 CO -0.01 0.44 -0.13 0.58 -1.14 0.00 0.00 176.83 176.57 3ilb h VAL 155 N 0.51 1.26 -0.85 2.27 2.07 -1.36 0.55 116.25 120.69 3ilb h VAL 155 Ca 0.14 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.57 3ilb h VAL 155 Cb 0.06 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3ilb h VAL 155 CO -0.02 0.40 0.51 0.44 0.02 0.00 0.00 177.57 178.91 3ilb h ASP 156 N 0.66 0.75 -0.40 0.57 3.32 -1.03 -1.92 116.42 118.38 3ilb h ASP 156 Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ilb h ASP 156 Cb 0.59 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ilb h ASP 156 CO 0.04 0.45 0.00 0.29 -1.72 0.00 0.00 179.24 178.30 3ilb n LYS 157 N -4.69 3.12 -3.22 3.56 5.02 -0.28 -4.92 118.16 116.76 3ilb n LYS 157 Ca 0.13 -1.93 -0.15 0.00 -2.02 0.00 0.00 58.31 54.34 3ilb n LYS 157 Cb 0.24 -1.82 0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3ilb n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ilb n GLU 158 N 0.54 -3.86 -2.71 1.97 1.02 -0.72 -4.96 120.64 111.92 3ilb n GLU 158 Ca 0.17 0.80 -0.16 0.00 -0.02 0.00 0.00 57.16 57.96 3ilb n GLU 158 Cb 0.73 -5.59 0.01 0.00 -0.02 0.00 0.00 31.44 26.57 3ilb n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3ilb n MET 159 N -3.46 1.83 -0.50 3.49 2.81 0.19 -4.93 117.12 116.54 3ilb n MET 159 Ca -0.15 -3.70 0.43 0.00 -1.81 0.00 0.00 57.70 52.47 3ilb n MET 159 Cb 0.63 -1.63 0.76 0.00 -0.71 0.00 0.00 33.22 32.27 3ilb n MET 159 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3ilb h GLN 160 N 2.89 0.03 0.00 0.03 -0.00 -1.89 -0.35 115.11 115.82 3ilb h GLN 160 Ca 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3ilb h GLN 160 Cb 1.04 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.51 3ilb h GLN 160 CO 0.61 0.02 0.00 -0.39 -0.00 0.00 0.00 178.83 179.07 3ilb h VAL 161 N 0.03 0.00 0.00 1.86 -1.51 -1.93 -1.56 116.25 113.14 3ilb h VAL 161 Ca 0.76 -0.08 -0.12 0.00 -1.23 0.00 0.00 66.70 66.03 3ilb h VAL 161 Cb 2.92 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.85 3ilb h VAL 161 CO -0.07 0.00 -0.62 -0.07 -1.23 0.00 0.00 177.57 175.57 3ilb h LEU 162 N 0.00 0.00 -0.09 4.19 3.38 -1.44 -3.37 115.31 117.98 3ilb h LEU 162 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ilb h LEU 162 Cb 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3ilb h LEU 162 CO 0.00 0.53 -0.36 0.58 0.09 0.00 0.00 178.44 179.28 3ilb h VAL 163 N 0.00 0.23 0.00 1.22 2.07 -1.48 0.23 116.25 118.52 3ilb h VAL 163 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3ilb h VAL 163 Cb 1.43 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3ilb h VAL 163 CO 0.07 0.00 -0.35 0.77 0.02 0.00 0.00 177.57 178.08 3ilb h SER 164 N -0.47 0.00 0.54 0.57 4.64 -1.79 -1.95 113.55 115.09 3ilb h SER 164 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3ilb h SER 164 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3ilb h SER 164 CO -0.34 0.35 -0.26 0.03 -0.87 0.00 0.00 176.83 175.74 3ilb h ARG 165 N 0.00 -0.70 -0.53 4.77 3.08 -1.56 -0.15 114.38 119.30 3ilb h ARG 165 Ca -0.00 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3ilb h ARG 165 Cb 0.82 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.94 3ilb h ARG 165 CO 0.05 -0.41 -0.00 0.82 -1.07 0.00 0.00 179.97 179.35 3ilb h ILE 166 N -0.85 0.57 -0.54 2.04 2.04 -0.36 0.46 117.51 120.86 3ilb h ILE 166 Ca -0.07 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3ilb h ILE 166 Cb 0.61 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3ilb h ILE 166 CO 0.12 0.02 0.24 0.00 0.00 0.00 0.00 178.15 178.53 3ilb h ALA 167 N 1.48 0.69 -0.68 1.87 0.00 -1.31 0.01 119.26 121.32 3ilb h ALA 167 Ca 0.27 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3ilb h ALA 167 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ilb h ALA 167 CO -0.45 -0.14 0.22 1.03 0.00 0.00 0.00 179.25 179.91 3ilb h SER 168 N 0.45 0.97 -0.31 0.00 0.87 0.26 0.47 113.55 116.27 3ilb h SER 168 Ca 0.25 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3ilb h SER 168 Cb 0.23 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3ilb h SER 168 CO -0.22 0.92 0.03 -0.50 -0.53 0.00 0.00 176.83 176.53 3ilb h TRP 169 N 0.98 0.66 -0.39 2.24 6.55 0.46 -0.56 115.95 125.89 3ilb h TRP 169 Ca 0.22 -0.07 -0.11 0.00 0.95 0.00 0.00 58.89 59.88 3ilb h TRP 169 Cb 0.28 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 3ilb h TRP 169 CO 0.02 0.61 -0.19 0.52 -1.05 0.00 0.00 178.44 178.35 3ilb h MET 170 N 0.61 0.81 -0.70 0.49 2.86 -0.23 0.37 114.93 119.13 3ilb h MET 170 Ca 0.13 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 3ilb h MET 170 Cb 0.33 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3ilb h MET 170 CO 0.01 0.98 0.31 0.00 1.06 0.00 0.00 176.91 179.28 3ilb h ALA 171 N 0.81 0.91 -0.29 6.32 0.00 -0.70 0.13 119.26 126.44 3ilb h ALA 171 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ilb h ALA 171 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ilb h ALA 171 CO 0.06 0.50 -0.01 1.15 0.00 0.00 0.00 179.25 180.94 3ilb h THR 172 N 0.99 1.26 -0.33 0.00 2.02 -0.85 0.19 112.91 116.20 3ilb h THR 172 Ca 0.24 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3ilb h THR 172 Cb 0.16 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3ilb h THR 172 CO -0.03 0.31 0.10 0.22 0.37 0.00 0.00 175.52 176.49 3ilb h TYR 173 N 0.30 0.54 -0.01 3.16 5.03 0.06 0.32 116.97 126.37 3ilb h TYR 173 Ca 0.08 -0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.36 3ilb h TYR 173 Cb 0.45 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 3ilb h TYR 173 CO 0.04 0.54 -0.13 1.25 -1.32 0.00 0.00 178.16 178.54 3ilb h LEU 174 N 0.38 -0.38 -0.37 2.82 5.85 -0.60 0.44 115.31 123.45 3ilb h LEU 174 Ca 0.11 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3ilb h LEU 174 Cb 0.26 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3ilb h LEU 174 CO -0.00 -0.18 0.00 0.78 -0.34 0.00 0.00 178.44 178.70 3ilb h ASN 175 N -0.21 0.64 -0.24 1.25 -0.26 -0.44 0.26 115.58 116.58 3ilb h ASN 175 Ca 0.05 -0.30 -0.08 0.00 -0.56 0.00 0.00 56.30 55.41 3ilb h ASN 175 Cb 0.28 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 3ilb h ASN 175 CO -0.14 0.79 -0.16 0.44 -1.06 0.00 0.00 177.43 177.30 3ilb h ASP 176 N 0.47 0.55 0.00 5.81 3.45 -0.17 -3.41 116.42 123.12 3ilb h ASP 176 Ca 0.11 -0.44 -0.19 0.00 0.43 0.00 0.00 57.03 56.94 3ilb h ASP 176 Cb 0.46 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 3ilb h ASP 176 CO 0.02 0.87 -1.71 1.41 -1.57 0.00 0.00 179.24 178.25 3ilb n HIS 177 N -4.45 0.00 -0.11 4.55 8.25 0.15 -4.81 115.22 118.79 3ilb n HIS 177 Ca -0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 3ilb n HIS 177 Cb 0.38 -0.49 -0.11 0.00 1.12 0.00 0.00 29.99 30.89 3ilb n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ilb n LEU 178 N -2.74 2.57 -0.31 2.41 4.77 0.14 -4.39 117.00 119.45 3ilb n LEU 178 Ca -0.21 -0.10 0.10 0.00 -0.03 0.00 0.00 56.01 55.77 3ilb n LEU 178 Cb 0.76 -0.62 0.32 0.00 -2.33 0.00 0.00 43.42 41.55 3ilb n LEU 178 CO 0.15 0.82 1.22 -0.08 -1.33 0.00 0.00 177.39 178.17 3ilb h GLU 179 N 0.00 0.79 -0.65 3.23 4.81 -0.82 0.13 114.58 122.07 3ilb h GLU 179 Ca -0.50 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 3ilb h GLU 179 Cb 1.82 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 3ilb h GLU 179 CO -0.06 0.52 0.23 -1.35 -0.73 0.00 0.00 179.01 177.62 3ilb h PRO 180 N 0.81 0.97 -0.21 0.92 0.11 -1.81 -0.22 132.00 132.57 3ilb h PRO 180 Ca 0.48 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 3ilb h PRO 180 Cb 0.65 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3ilb h PRO 180 CO -0.24 0.81 -0.05 2.35 -0.21 0.00 0.00 178.00 180.65 3ilb h TRP 181 N 0.94 0.47 0.49 0.65 7.01 -1.33 -3.10 115.95 121.08 3ilb h TRP 181 Ca 0.22 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3ilb h TRP 181 Cb 0.22 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3ilb h TRP 181 CO 0.02 0.66 -0.42 0.82 -2.79 0.00 0.00 178.44 176.72 3ilb h ILE 182 N 0.14 0.00 0.00 2.65 2.04 -0.47 -0.35 117.51 121.52 3ilb h ILE 182 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3ilb h ILE 182 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3ilb h ILE 182 CO 0.02 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.18 3ilb n GLN 183 N -5.00 0.00 0.00 2.37 3.00 -0.12 0.28 117.38 117.91 3ilb n GLN 183 Ca -0.11 0.47 0.09 0.00 -0.01 0.00 0.00 57.00 57.44 3ilb n GLN 183 Cb 0.40 -1.51 0.05 0.00 0.00 0.00 0.00 30.24 29.18 3ilb n GLN 183 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3ilb n GLU 184 N -1.47 1.48 -0.61 -1.09 -0.58 -0.78 -4.48 120.64 113.12 3ilb n GLU 184 Ca 0.00 -1.33 0.06 0.00 -0.42 0.00 0.00 57.16 55.47 3ilb n GLU 184 Cb 0.01 -1.32 0.17 0.00 -0.57 0.00 0.00 31.44 29.72 3ilb n GLU 184 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ilb n ASN 185 N 0.67 1.68 0.00 1.62 3.02 0.14 -4.96 115.26 117.43 3ilb n ASN 185 Ca 0.09 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 3ilb n ASN 185 Cb 0.41 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3ilb n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ilb n GLY 186 N -0.94 0.93 0.94 7.41 0.00 -1.10 -4.88 105.19 107.55 3ilb n GLY 186 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3ilb n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ilb n GLY 187 N -2.12 -1.83 0.33 -0.02 0.00 -0.95 -1.75 105.19 98.85 3ilb n GLY 187 Ca 0.00 -1.28 0.23 0.00 0.00 0.00 0.00 46.02 44.97 3ilb n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ilb h TRP 188 N -0.88 0.00 -0.54 1.61 4.06 -1.95 -2.55 115.95 115.71 3ilb h TRP 188 Ca 0.00 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.05 3ilb h TRP 188 Cb 0.86 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.95 3ilb h TRP 188 CO -1.78 0.00 0.12 -0.44 -3.56 0.00 0.00 178.44 172.78 3ilb h ASP 189 N 0.00 0.02 -0.45 -3.49 3.32 -1.92 -0.71 116.42 113.18 3ilb h ASP 189 Ca 0.00 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3ilb h ASP 189 Cb 0.02 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3ilb h ASP 189 CO 0.00 0.03 -0.07 0.74 -1.72 0.00 0.00 179.24 178.22 3ilb h THR 190 N 0.26 1.27 -0.59 0.35 2.02 -0.91 -0.44 112.91 114.86 3ilb h THR 190 Ca 0.27 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.33 3ilb h THR 190 Cb 0.38 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3ilb h THR 190 CO -0.35 0.40 0.33 0.15 0.37 0.00 0.00 175.52 176.42 3ilb h PHE 191 N 0.69 0.60 -0.46 3.16 3.57 -1.36 0.16 116.94 123.31 3ilb h PHE 191 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3ilb h PHE 191 Cb 0.61 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3ilb h PHE 191 CO 0.05 0.30 0.24 0.28 -2.23 0.00 0.00 178.31 176.95 3ilb h VAL 192 N 0.62 1.17 -0.55 1.41 2.07 -0.94 0.11 116.25 120.15 3ilb h VAL 192 Ca 0.26 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.43 3ilb h VAL 192 Cb 0.13 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 3ilb h VAL 192 CO -0.16 0.19 -0.21 0.44 0.02 0.00 0.00 177.57 177.85 3ilb h ASP 193 N 0.60 -0.73 0.27 0.57 3.32 -0.28 -0.31 116.42 119.86 3ilb h ASP 193 Ca 0.16 0.19 -0.26 0.00 0.02 0.00 0.00 57.03 57.14 3ilb h ASP 193 Cb 0.08 0.42 0.01 0.00 0.22 0.00 0.00 39.33 40.06 3ilb h ASP 193 CO -0.02 -0.24 -1.07 -0.07 -1.72 0.00 0.00 179.24 176.12 3ilb h LEU 194 N -0.07 0.66 0.00 1.55 3.38 -0.43 -3.40 115.31 116.99 3ilb h LEU 194 Ca 0.26 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3ilb h LEU 194 Cb 0.47 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ilb h LEU 194 CO -0.61 1.38 -1.22 -1.22 0.09 0.00 0.00 178.44 176.86 3ilb n TYR 195 N -3.75 0.00 0.97 1.13 4.02 0.37 -5.09 117.16 114.81 3ilb n TYR 195 Ca -0.09 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.88 3ilb n TYR 195 Cb 0.90 -0.12 0.46 0.00 -0.02 0.00 0.00 39.34 40.56 3ilb n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26