#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s n ARG 65 N 0.00 0.62 0.23 1.61 0.00 -1.26 -2.64 116.66 115.23 3b4s n ARG 65 Ca 0.00 0.12 -0.15 0.00 -0.00 0.00 0.00 57.85 57.82 3b4s n ARG 65 Cb 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 32.46 30.61 3b4s n ARG 65 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3b4s h ILE 66 N 0.00 0.61 -0.89 5.15 1.08 -2.05 -2.87 117.51 118.55 3b4s h ILE 66 Ca -0.11 -0.02 0.18 0.00 -0.39 0.00 0.00 64.86 64.52 3b4s h ILE 66 Cb 1.33 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 35.64 3b4s h ILE 66 CO 0.02 0.00 0.58 0.15 -0.69 0.00 0.00 178.15 178.22 3b4s h PHE 67 N -0.54 0.66 0.00 1.37 3.04 -2.02 -1.21 116.94 118.23 3b4s h PHE 67 Ca -0.05 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 3b4s h PHE 67 Cb 0.41 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3b4s h PHE 67 CO -0.05 0.20 0.00 1.17 -2.02 0.00 0.00 178.31 177.61 3b4s n LYS 68 N -4.54 0.00 0.00 1.11 3.00 -1.08 -2.32 118.16 114.33 3b4s n LYS 68 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 3b4s n LYS 68 Cb 0.60 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.49 3b4s n LYS 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3b4s n PHE 70 N -0.41 0.00 0.30 5.64 -0.00 -0.46 -2.85 117.46 119.68 3b4s n PHE 70 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 3b4s n PHE 70 Cb 0.00 0.00 0.96 0.00 -0.00 0.00 0.00 39.48 40.44 3b4s n PHE 70 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.76 175.92 3b4s h ILE 71 N 0.00 0.18 -0.85 -2.13 -0.00 -1.74 -0.57 117.51 112.40 3b4s h ILE 71 Ca 0.00 -0.24 0.13 0.00 -0.00 0.00 0.00 64.86 64.75 3b4s h ILE 71 Cb 0.00 1.20 -0.06 0.00 -0.00 0.00 0.00 36.82 37.95 3b4s h ILE 71 CO 0.00 0.03 0.55 -0.33 -0.00 0.00 0.00 178.15 178.40 3b4s h GLU 72 N 0.00 0.66 0.00 0.16 5.08 -1.78 -0.46 114.58 118.25 3b4s h GLU 72 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3b4s h GLU 72 Cb 0.20 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3b4s h GLU 72 CO 0.00 0.44 0.00 0.72 -1.00 0.00 0.00 179.01 179.17 3b4s n HIS 73 N -4.54 0.00 -4.85 4.33 8.25 -0.22 -4.84 115.22 113.35 3b4s n HIS 73 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 3b4s n HIS 73 Cb 0.43 -0.44 -0.13 0.00 1.12 0.00 0.00 29.99 30.96 3b4s n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b4s s LEU 74 N -2.89 2.78 -0.59 2.41 1.02 -0.18 -4.66 118.68 116.56 3b4s s LEU 74 Ca 0.10 -0.19 -0.11 0.00 0.02 0.00 0.00 54.13 53.94 3b4s s LEU 74 Cb 0.11 -1.57 0.15 0.00 0.02 0.00 0.00 46.19 44.90 3b4s s LEU 74 CO 0.29 0.33 0.50 -0.70 0.02 0.00 0.00 176.35 176.79 3b4s s GLU 75 N -0.62 2.90 0.00 1.70 -6.30 -1.26 -4.93 118.70 110.19 3b4s s GLU 75 Ca 0.09 -2.01 0.28 0.00 -2.50 0.00 0.00 54.97 50.83 3b4s s GLU 75 Cb -0.11 -4.13 1.13 0.00 0.00 0.00 0.00 34.13 31.02 3b4s s GLU 75 CO 0.01 -1.25 1.82 1.19 0.02 0.00 0.00 175.26 177.04 3b4s n PHE 76 N 4.61 0.00 0.00 5.30 3.01 -1.26 -3.82 117.46 125.29 3b4s n PHE 76 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3b4s n PHE 76 Cb 0.42 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3b4s n PHE 76 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3b4s n GLU 77 N -1.22 0.00 0.00 -1.08 4.71 -1.26 -4.55 120.64 117.24 3b4s n GLU 77 Ca 0.11 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 3b4s n GLU 77 Cb 0.30 -0.51 0.00 0.00 -1.01 0.00 0.00 31.44 30.22 3b4s n GLU 77 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3b4s n LYS 78 N -1.01 0.00 0.00 3.49 3.00 -1.26 -4.82 118.16 117.56 3b4s n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3b4s n LYS 78 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 35.03 34.28 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b4s n GLY 79 N 0.27 -1.73 0.36 3.14 0.00 -1.26 -4.20 105.19 101.76 3b4s n GLY 79 Ca 0.00 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 3b4s n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3b4s h LEU 80 N 0.00 -0.72 -1.54 0.99 5.85 -1.93 -2.92 115.31 115.03 3b4s h LEU 80 Ca 0.00 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.90 3b4s h LEU 80 Cb 0.00 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3b4s h LEU 80 CO 0.00 -0.35 0.57 0.44 -0.34 0.00 0.00 178.44 178.76 3b4s h ASP 81 N -1.16 0.39 0.76 1.25 3.32 -1.98 0.88 116.42 119.89 3b4s h ASP 81 Ca -0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3b4s h ASP 81 Cb 0.69 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3b4s h ASP 81 CO 0.14 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 3b4s n ALA 82 N -2.52 1.68 -0.08 3.45 0.00 -1.22 -1.70 120.51 120.12 3b4s n ALA 82 Ca 0.18 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 3b4s n ALA 82 Cb 0.66 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 3b4s n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3b4s h PHE 83 N 0.00 0.08 0.10 0.00 3.04 0.96 -2.69 116.94 118.43 3b4s h PHE 83 Ca 0.00 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.90 3b4s h PHE 83 Cb 0.38 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 3b4s h PHE 83 CO 0.00 1.44 -0.34 0.77 -2.02 0.00 0.00 178.31 178.17 3b4s h SER 84 N -0.86 -1.01 -0.32 0.41 0.02 -1.33 -0.69 113.55 109.77 3b4s h SER 84 Ca -0.30 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3b4s h SER 84 Cb 1.35 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 3b4s h SER 84 CO -0.13 -0.36 -0.19 1.67 -1.14 0.00 0.00 176.83 176.67 3b4s n GLN 85 N -4.37 -0.14 -0.21 3.45 -0.06 -0.69 -0.45 117.38 114.91 3b4s n GLN 85 Ca -0.06 0.59 0.01 0.00 -2.00 0.00 0.00 57.00 55.54 3b4s n GLN 85 Cb 0.27 -0.86 0.11 0.00 -4.06 0.00 0.00 30.24 25.69 3b4s n GLN 85 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3b4s h SER 86 N 0.00 -0.16 0.12 1.69 0.87 -0.86 -0.56 113.55 114.65 3b4s h SER 86 Ca 0.05 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3b4s h SER 86 Cb 0.13 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3b4s h SER 86 CO -0.30 -0.07 -0.06 -0.25 -0.53 0.00 0.00 176.83 175.62 3b4s h TRP 87 N 0.17 -0.15 -0.64 2.24 2.91 0.64 -1.83 115.95 119.30 3b4s h TRP 87 Ca 0.33 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.48 3b4s h TRP 87 Cb 0.53 0.05 -0.11 0.00 -0.51 0.00 0.00 29.16 29.12 3b4s h TRP 87 CO -0.32 0.27 -0.01 0.82 -1.03 0.00 0.00 178.44 178.18 3b4s h ILE 88 N -0.64 0.46 -0.39 2.65 1.08 -0.44 0.18 117.51 120.42 3b4s h ILE 88 Ca -0.02 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3b4s h ILE 88 Cb 0.49 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3b4s h ILE 88 CO 0.03 0.02 0.24 0.50 -0.69 0.00 0.00 178.15 178.24 3b4s h LYS 89 N 0.11 0.47 -0.91 2.37 3.64 -1.08 -2.10 116.57 119.06 3b4s h LYS 89 Ca 0.33 -0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.91 3b4s h LYS 89 Cb 0.54 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3b4s h LYS 89 CO -0.55 0.31 0.61 0.00 -2.27 0.00 0.00 179.45 177.55 3b4s h ALA 90 N 1.16 2.34 0.00 5.00 0.00 0.17 0.46 119.26 128.39 3b4s h ALA 90 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b4s h ALA 90 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b4s h ALA 90 CO -0.06 -0.63 0.00 1.28 0.00 0.00 0.00 179.25 179.84 3b4s n LEU 91 N -4.47 0.00 0.03 0.00 4.77 -0.15 -0.79 117.00 116.39 3b4s n LEU 91 Ca 0.20 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 3b4s n LEU 91 Cb 0.77 -0.38 0.24 0.00 -2.33 0.00 0.00 43.42 41.72 3b4s n LEU 91 CO 0.32 -0.26 0.44 -0.62 -1.33 0.00 0.00 177.39 175.94 3b4s n GLU 92 N -1.38 0.13 -3.19 3.23 1.02 0.15 -4.76 120.64 115.84 3b4s n GLU 92 Ca 0.04 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.81 3b4s n GLU 92 Cb 0.09 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 3b4s n GLU 92 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3b4s s ASP 93 N -3.54 6.52 0.48 1.62 3.68 0.03 -4.93 116.67 120.53 3b4s s ASP 93 Ca 0.09 0.62 0.25 0.00 2.13 0.00 0.00 52.55 55.64 3b4s s ASP 93 Cb 0.16 -2.31 1.29 0.00 -1.45 0.00 0.00 42.92 40.61 3b4s s ASP 93 CO 0.70 -0.30 1.86 -1.28 0.13 0.00 0.00 175.17 176.28 3b4s h SER 94 N 7.87 0.21 0.82 -0.34 0.87 -1.86 -0.86 113.55 120.26 3b4s h SER 94 Ca -0.29 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.12 3b4s h SER 94 Cb 1.14 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 3b4s h SER 94 CO 0.74 0.07 -0.82 -0.33 -0.53 0.00 0.00 176.83 175.96 3b4s h GLU 95 N 0.20 0.00 -0.47 2.24 4.39 -1.92 -1.40 114.58 117.62 3b4s h GLU 95 Ca 0.46 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.07 3b4s h GLU 95 Cb 1.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 3b4s h GLU 95 CO -0.10 0.82 -0.08 0.35 -1.16 0.00 0.00 179.01 178.84 3b4s h PHE 96 N 0.00 0.98 -0.03 4.33 3.57 -1.44 -2.19 116.94 122.16 3b4s h PHE 96 Ca -0.01 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.21 3b4s h PHE 96 Cb 1.45 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3b4s h PHE 96 CO 0.00 0.95 -0.35 1.25 -2.23 0.00 0.00 178.31 177.93 3b4s h LEU 97 N 0.72 0.06 -0.50 0.59 5.85 -1.26 0.82 115.31 121.60 3b4s h LEU 97 Ca 0.12 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3b4s h LEU 97 Cb 0.61 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3b4s h LEU 97 CO 0.04 0.41 0.04 0.00 -0.34 0.00 0.00 178.44 178.59 3b4s h ALA 98 N 1.59 0.67 0.00 1.25 0.00 -1.06 -1.17 119.26 120.53 3b4s h ALA 98 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3b4s h ALA 98 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3b4s h ALA 98 CO 0.05 0.44 -0.58 -0.84 0.00 0.00 0.00 179.25 178.31 3b4s h ILE 99 N 0.72 1.41 -0.53 0.00 -0.00 -0.65 -2.06 117.51 116.41 3b4s h ILE 99 Ca 0.15 -2.00 -0.11 0.00 -0.00 0.00 0.00 64.86 62.89 3b4s h ILE 99 Cb 0.45 2.08 -0.02 0.00 -0.00 0.00 0.00 36.82 39.34 3b4s h ILE 99 CO 0.02 0.57 -0.12 0.25 -0.00 0.00 0.00 178.15 178.87 3b4s h LEU 100 N 0.00 1.00 -0.42 0.16 5.85 -0.65 -1.98 115.31 119.26 3b4s h LEU 100 Ca -0.01 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3b4s h LEU 100 Cb 1.03 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3b4s h LEU 100 CO 0.08 1.12 0.15 0.03 -0.34 0.00 0.00 178.44 179.47 3b4s h ARG 101 N 0.89 0.30 -1.02 1.25 3.08 -0.56 -0.51 114.38 117.81 3b4s h ARG 101 Ca 0.14 -0.02 0.25 0.00 0.07 0.00 0.00 59.98 60.42 3b4s h ARG 101 Cb 0.68 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 3b4s h ARG 101 CO 0.05 0.20 0.66 -0.07 -1.07 0.00 0.00 179.97 179.74 3b4s h LEU 102 N 0.31 0.44 -0.11 3.04 4.07 -0.76 0.03 115.31 122.34 3b4s h LEU 102 Ca 0.20 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 3b4s h LEU 102 Cb 0.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3b4s h LEU 102 CO -0.20 0.10 -0.08 0.25 -1.08 0.00 0.00 178.44 177.43 3b4s h LEU 103 N 0.40 0.26 0.00 1.67 6.46 -0.60 -3.29 115.31 120.21 3b4s h LEU 103 Ca 0.57 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3b4s h LEU 103 Cb 1.45 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 3b4s h LEU 103 CO -0.27 0.66 -0.38 -0.26 -0.62 0.00 0.00 178.44 177.57 3b4s h PHE 104 N -0.14 0.00 -0.98 1.25 0.05 -0.96 -3.38 116.94 112.78 3b4s h PHE 104 Ca 0.02 0.00 0.25 0.00 3.82 0.00 0.00 57.97 62.06 3b4s h PHE 104 Cb 0.57 0.00 -0.18 0.00 2.00 0.00 0.00 35.95 38.34 3b4s h PHE 104 CO 0.08 0.07 -0.04 1.25 -0.18 0.00 0.00 178.31 179.49 3b4s h HIS 105 N 0.00 -0.17 0.05 -0.55 2.76 -1.08 -1.93 115.15 114.23 3b4s h HIS 105 Ca -0.01 0.08 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 3b4s h HIS 105 Cb 1.06 0.23 0.01 0.00 1.55 0.00 0.00 27.41 30.27 3b4s h HIS 105 CO 0.00 -0.42 -0.59 1.25 -1.30 0.00 0.00 177.93 176.87 3b4s h HIS 106 N 0.01 0.50 -0.97 5.26 -0.00 -1.81 -3.25 115.15 114.89 3b4s h HIS 106 Ca 0.56 -0.31 0.22 0.00 -0.00 0.00 0.00 60.37 60.84 3b4s h HIS 106 Cb 1.08 -0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 28.36 3b4s h HIS 106 CO -0.56 1.16 0.63 0.82 -0.00 0.00 0.00 177.93 179.98 3b4s h ILE 107 N -0.30 0.64 -0.20 6.26 2.04 -1.64 -0.71 117.51 123.60 3b4s h ILE 107 Ca -0.09 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3b4s h ILE 107 Cb 1.36 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3b4s h ILE 107 CO 0.11 0.09 0.00 0.55 0.00 0.00 0.00 178.15 178.90 3b4s n VAL 108 N -4.60 0.75 -4.78 1.67 3.14 -0.84 -4.77 118.33 108.89 3b4s n VAL 108 Ca 0.22 -0.41 -0.31 0.00 -2.96 0.00 0.00 64.34 60.88 3b4s n VAL 108 Cb 0.73 -0.29 -0.17 0.00 -1.06 0.00 0.00 33.84 33.05 3b4s n VAL 108 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3b4s s THR 109 N -1.59 1.87 0.30 1.55 -1.32 -0.28 -5.07 115.64 111.10 3b4s s THR 109 Ca 0.17 -0.88 -0.19 0.00 -1.21 0.00 0.00 61.69 59.57 3b4s s THR 109 Cb 0.12 -1.66 -0.09 0.00 -1.51 0.00 0.00 72.50 69.36 3b4s s THR 109 CO 0.06 0.52 0.79 -0.44 -2.21 0.00 0.00 174.62 173.34 3b4s s SER 110 N 0.70 7.00 -0.02 8.08 0.01 -1.26 -4.99 113.70 123.22 3b4s s SER 110 Ca -0.11 1.48 -0.25 0.00 1.31 0.00 0.00 55.95 58.38 3b4s s SER 110 Cb -0.16 -2.45 -0.19 0.00 0.21 0.00 0.00 66.02 63.43 3b4s s SER 110 CO 0.02 -0.11 1.21 -0.08 0.41 0.00 0.00 173.24 174.69 3b4s h GLU 111 N 2.82 -0.09 -0.11 12.44 4.57 -1.99 -3.17 114.58 129.05 3b4s h GLU 111 Ca -0.48 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.74 3b4s h GLU 111 Cb 1.19 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3b4s h GLU 111 CO 0.65 0.36 0.91 0.45 -1.18 0.00 0.00 179.01 180.19 3b4s n SER 112 N -4.91 0.00 0.06 1.04 2.88 -1.26 -1.20 113.62 110.23 3b4s n SER 112 Ca -0.08 0.47 -0.21 0.00 -1.33 0.00 0.00 58.87 57.72 3b4s n SER 112 Cb 0.25 -0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.54 3b4s n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3b4s h ALA 113 N 0.06 -0.09 0.00 -1.46 0.00 -1.95 -3.25 119.26 112.56 3b4s h ALA 113 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3b4s h ALA 113 Cb 1.86 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3b4s h ALA 113 CO -0.00 0.43 -0.39 0.45 0.00 0.00 0.00 179.25 179.75 3b4s h HIS 114 N -0.25 0.00 0.62 0.00 -0.00 -1.32 -1.84 115.15 112.36 3b4s h HIS 114 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.19 3b4s h HIS 114 Cb 1.71 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.12 3b4s h HIS 114 CO 0.18 0.39 -0.37 0.93 -0.00 0.00 0.00 177.93 179.06 3b4s h GLU 115 N 0.00 -0.89 -1.07 2.45 4.39 -1.67 -2.80 114.58 114.98 3b4s h GLU 115 Ca -0.00 0.06 0.29 0.00 0.34 0.00 0.00 59.36 60.04 3b4s h GLU 115 Cb 0.76 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.52 3b4s h GLU 115 CO 0.05 -0.59 0.70 0.35 -1.16 0.00 0.00 179.01 178.36 3b4s h PHE 116 N -0.92 0.54 -0.71 4.33 3.04 -1.56 0.92 116.94 122.58 3b4s h PHE 116 Ca -0.08 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 3b4s h PHE 116 Cb 0.74 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 3b4s h PHE 116 CO -0.04 0.04 0.24 0.00 -2.02 0.00 0.00 178.31 176.52 3b4s h ALA 117 N 1.59 1.09 0.06 2.41 0.00 -1.09 -2.86 119.26 120.45 3b4s h ALA 117 Ca 0.60 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 3b4s h ALA 117 Cb 1.67 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3b4s h ALA 117 CO -0.26 0.63 -1.30 0.00 0.00 0.00 0.00 179.25 178.32 3b4s h ALA 118 N 1.22 0.24 0.00 0.00 0.00 -0.62 -3.42 119.26 116.66 3b4s h ALA 118 Ca 0.23 -1.13 -0.34 0.00 0.00 0.00 0.00 54.91 53.67 3b4s h ALA 118 Cb 0.26 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3b4s h ALA 118 CO -0.01 0.77 -2.28 0.09 0.00 0.00 0.00 179.25 177.82 3b4s n ASN 119 N -4.14 0.11 -0.31 0.00 3.02 -0.56 -4.44 115.26 108.94 3b4s n ASN 119 Ca -0.28 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.45 3b4s n ASN 119 Cb 0.79 0.92 0.27 0.00 -0.61 0.00 0.00 39.78 41.15 3b4s n ASN 119 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3b4s h GLY 120 N 3.94 1.21 1.69 7.41 0.00 -1.66 0.52 103.07 116.18 3b4s h GLY 120 Ca -0.48 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3b4s h GLY 120 CO 0.03 -0.43 0.15 1.19 0.00 0.00 0.00 176.54 177.48 3b4s h ILE 121 N 0.09 1.10 0.08 2.60 6.09 -1.78 -1.19 117.51 124.51 3b4s h ILE 121 Ca 0.55 -0.29 -0.34 0.00 -1.37 0.00 0.00 64.86 63.41 3b4s h ILE 121 Cb 1.10 0.72 -0.03 0.00 0.47 0.00 0.00 36.82 39.09 3b4s h ILE 121 CO -0.79 0.12 -1.89 0.47 -3.07 0.00 0.00 178.15 172.99 3b4s n ASP 122 N -4.44 1.67 -0.25 2.19 8.00 0.14 -3.16 116.55 120.70 3b4s n ASP 122 Ca 0.01 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3b4s n ASP 122 Cb 0.11 -0.57 0.12 0.00 -0.02 0.00 0.00 41.12 40.76 3b4s n ASP 122 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3b4s h ARG 123 N 0.05 0.64 -0.28 -1.24 9.65 -0.25 -1.93 114.38 121.02 3b4s h ARG 123 Ca -0.37 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.47 3b4s h ARG 123 Cb 2.03 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 30.45 3b4s h ARG 123 CO 0.09 0.43 0.18 -0.07 2.80 0.00 0.00 179.97 183.39 3b4s h LEU 124 N 0.66 0.30 -0.78 3.80 3.38 -1.30 -2.20 115.31 119.17 3b4s h LEU 124 Ca 0.34 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.47 3b4s h LEU 124 Cb 0.29 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.83 3b4s h LEU 124 CO -0.23 0.22 -0.09 1.88 0.09 0.00 0.00 178.44 180.31 3b4s h TYR 125 N 0.36 -0.22 0.00 1.13 0.05 -1.32 -0.89 116.97 116.08 3b4s h TYR 125 Ca 0.10 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3b4s h TYR 125 Cb -0.03 0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3b4s h TYR 125 CO -0.06 -0.30 0.00 1.63 -1.05 0.00 0.00 178.16 178.38 3b4s n LYS 126 N -5.43 0.00 0.00 4.88 5.02 -0.83 -0.99 118.16 120.81 3b4s n LYS 126 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3b4s n LYS 126 Cb 0.46 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 3b4s n LYS 126 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b4s n VAL 128 N 0.24 0.00 0.12 -0.18 0.31 -0.34 -0.18 118.33 118.29 3b4s n VAL 128 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3b4s n VAL 128 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3b4s n VAL 128 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3b4s h GLU 129 N 0.00 0.00 0.00 5.55 4.11 -1.27 -1.28 114.58 121.68 3b4s h GLU 129 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3b4s h GLU 129 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3b4s h GLU 129 CO 0.00 0.52 -0.20 -1.13 0.07 0.00 0.00 179.01 178.28 3b4s n SER 130 N -3.19 0.64 -0.05 3.06 3.41 0.74 -1.20 113.62 117.03 3b4s n SER 130 Ca 0.00 0.39 -0.03 0.00 -0.26 0.00 0.00 58.87 58.98 3b4s n SER 130 Cb 0.77 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 3b4s n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b4s n GLN 131 N -2.05 1.61 -0.00 4.33 1.13 -1.20 -4.67 117.38 116.51 3b4s n GLN 131 Ca 0.05 -0.03 0.01 0.00 -1.94 0.00 0.00 57.00 55.08 3b4s n GLN 131 Cb 0.41 -1.31 0.01 0.00 0.11 0.00 0.00 30.24 29.46 3b4s n GLN 131 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3b4s n PHE 132 N -2.33 0.00 0.00 1.08 3.72 -0.49 -5.07 117.46 114.38 3b4s n PHE 132 Ca -0.15 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3b4s n PHE 132 Cb 0.76 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3b4s n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b4s n GLY 133 N 0.02 3.93 0.20 1.37 0.00 -0.34 -3.09 105.19 107.29 3b4s n GLY 133 Ca 0.01 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3b4s n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b4s h SER 134 N 0.00 -0.36 0.00 1.61 4.64 -1.92 -2.95 113.55 114.58 3b4s h SER 134 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3b4s h SER 134 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3b4s h SER 134 CO 0.00 0.02 0.11 0.61 -0.87 0.00 0.00 176.83 176.70 3b4s n GLY 135 N -0.26 -0.69 0.21 -0.77 0.00 -1.18 -3.09 105.19 99.42 3b4s n GLY 135 Ca -0.09 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3b4s n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b4s h GLY 136 N 0.00 0.72 0.92 -0.02 0.00 -1.58 -2.70 103.07 100.42 3b4s h GLY 136 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3b4s h GLY 136 CO 0.00 0.25 0.08 -0.55 0.00 0.00 0.00 176.54 176.32 3b4s h ASP 137 N 0.68 0.19 -0.89 0.19 3.32 -1.75 -1.93 116.42 116.23 3b4s h ASP 137 Ca 0.19 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3b4s h ASP 137 Cb -0.06 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 3b4s h ASP 137 CO -0.05 0.24 0.57 0.50 -1.72 0.00 0.00 179.24 178.78 3b4s h LYS 138 N 0.13 1.04 0.69 3.56 3.64 -1.78 -0.84 116.57 123.01 3b4s h LYS 138 Ca 0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3b4s h LYS 138 Cb 0.09 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3b4s h LYS 138 CO -0.01 0.69 -0.33 1.49 -2.27 0.00 0.00 179.45 179.02 3b4s h GLU 139 N 1.08 -0.90 -0.82 1.90 4.57 -1.16 0.13 114.58 119.38 3b4s h GLU 139 Ca 0.37 0.06 0.19 0.00 -1.18 0.00 0.00 59.36 58.80 3b4s h GLU 139 Cb 0.07 0.20 -0.12 0.00 -0.16 0.00 0.00 28.75 28.75 3b4s h GLU 139 CO -0.14 -0.57 0.27 1.25 -1.18 0.00 0.00 179.01 178.64 3b4s h LEU 140 N -1.05 0.13 0.43 1.64 6.46 -1.32 -0.14 115.31 121.46 3b4s h LEU 140 Ca -0.10 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3b4s h LEU 140 Cb 0.74 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 3b4s h LEU 140 CO 0.16 -0.04 -0.20 -0.33 -0.62 0.00 0.00 178.44 177.41 3b4s h GLU 141 N 0.32 -0.55 -0.55 1.25 5.08 -0.53 -1.48 114.58 118.11 3b4s h GLU 141 Ca 0.49 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 59.00 3b4s h GLU 141 Cb 0.89 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.16 3b4s h GLU 141 CO -0.54 -0.29 -0.23 2.35 -1.00 0.00 0.00 179.01 179.30 3b4s h TRP 142 N -0.72 -0.59 -0.31 4.33 7.01 -0.50 -2.59 115.95 122.59 3b4s h TRP 142 Ca -0.06 0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 3b4s h TRP 142 Cb 0.51 0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 3b4s h TRP 142 CO -0.01 -0.32 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.20 3b4s h LEU 143 N -0.10 0.46 0.32 0.65 3.38 -0.73 -0.35 115.31 118.94 3b4s h LEU 143 Ca 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3b4s h LEU 143 Cb 0.49 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3b4s h LEU 143 CO -0.62 0.56 -0.26 0.40 0.09 0.00 0.00 178.44 178.61 3b4s h ILE 144 N 0.46 0.45 -0.40 1.22 1.08 -1.06 0.76 117.51 120.02 3b4s h ILE 144 Ca 0.10 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.63 3b4s h ILE 144 Cb 0.37 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 3b4s h ILE 144 CO 0.02 0.00 0.04 1.23 -0.69 0.00 0.00 178.15 178.75 3b4s h GLY 145 N -0.59 0.45 0.42 5.37 0.00 -1.05 0.13 103.07 107.78 3b4s h GLY 145 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.44 3b4s h GLY 145 CO -0.02 -0.07 0.59 -0.09 0.00 0.00 0.00 176.54 176.95 3b4s h ARG 146 N 0.16 0.88 0.36 4.80 9.65 -0.90 0.25 114.38 129.57 3b4s h ARG 146 Ca 0.20 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 3b4s h ARG 146 Cb 0.26 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3b4s h ARG 146 CO -0.29 0.58 -0.23 0.77 2.80 0.00 0.00 179.97 183.59 3b4s h SER 147 N 0.90 -0.59 -0.42 -3.80 0.02 0.17 -1.89 113.55 107.93 3b4s h SER 147 Ca 0.49 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.56 3b4s h SER 147 Cb 0.53 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 3b4s h SER 147 CO -0.29 -0.37 -0.35 -0.07 -1.14 0.00 0.00 176.83 174.61 3b4s h LEU 148 N -0.58 -1.17 -0.73 5.07 3.38 -0.54 -1.40 115.31 119.33 3b4s h LEU 148 Ca -0.04 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.28 3b4s h LEU 148 Cb 0.48 0.54 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 3b4s h LEU 148 CO 0.03 -0.33 -0.18 0.40 0.09 0.00 0.00 178.44 178.45 3b4s h ILE 149 N -0.26 0.27 0.00 1.22 1.08 -0.72 -2.64 117.51 116.45 3b4s h ILE 149 Ca 0.17 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 3b4s h ILE 149 Cb 0.55 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3b4s h ILE 149 CO -0.56 0.00 0.00 1.67 -0.69 0.00 0.00 178.15 178.57 3b4s n GLN 150 N -5.48 0.00 0.00 2.37 -0.06 -0.53 -2.98 117.38 110.70 3b4s n GLN 150 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 3b4s n GLN 150 Cb 0.38 -1.08 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 3b4s n GLN 150 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3b4s n SER 152 N 1.27 0.00 0.00 1.69 3.41 -1.00 -5.12 113.62 113.87 3b4s n SER 152 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 3b4s n SER 152 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3b4s n SER 152 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17