#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s n GLY 64 N 0.00 -2.87 0.47 0.27 0.00 -1.26 -4.29 105.19 97.51 3b4s n GLY 64 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 3b4s n GLY 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b4s h ARG 65 N -1.32 -1.13 0.00 1.61 9.65 -2.10 -3.21 114.38 117.87 3b4s h ARG 65 Ca -0.12 0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3b4s h ARG 65 Cb 1.29 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 30.12 3b4s h ARG 65 CO 0.06 -0.75 -0.33 0.97 2.80 0.00 0.00 179.97 182.72 3b4s h ILE 66 N -1.29 0.82 0.79 1.20 6.09 -2.06 -2.18 117.51 120.87 3b4s h ILE 66 Ca -0.12 -1.35 -0.04 0.00 -1.37 0.00 0.00 64.86 61.98 3b4s h ILE 66 Cb 0.91 1.84 0.01 0.00 0.47 0.00 0.00 36.82 40.04 3b4s h ILE 66 CO 0.20 0.32 -0.38 0.15 -3.07 0.00 0.00 178.15 175.37 3b4s h PHE 67 N 0.00 -0.98 0.00 2.19 3.57 -1.75 -2.61 116.94 117.36 3b4s h PHE 67 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3b4s h PHE 67 Cb 0.81 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3b4s h PHE 67 CO 0.00 -0.59 0.00 1.63 -2.23 0.00 0.00 178.31 177.12 3b4s n LYS 68 N -5.50 0.00 0.00 1.11 5.02 -0.82 -0.52 118.16 117.45 3b4s n LYS 68 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3b4s n LYS 68 Cb 0.43 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 3b4s n LYS 68 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3b4s n PHE 70 N 0.09 0.00 0.28 2.13 -0.00 -0.99 -2.23 117.46 116.74 3b4s n PHE 70 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 3b4s n PHE 70 Cb 0.00 0.00 0.51 0.00 -0.00 0.00 0.00 39.48 39.99 3b4s n PHE 70 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 3b4s n ILE 71 N 0.00 0.98 0.79 -2.13 3.06 0.33 -2.27 119.36 120.12 3b4s n ILE 71 Ca 0.00 0.47 0.12 0.00 -2.50 0.00 0.00 62.75 60.84 3b4s n ILE 71 Cb 0.00 -1.43 0.14 0.00 0.54 0.00 0.00 39.64 38.89 3b4s n ILE 71 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 3b4s n GLU 72 N -2.19 2.39 0.00 9.51 0.28 -0.95 -2.67 120.64 127.01 3b4s n GLU 72 Ca 0.00 -2.04 0.10 0.00 -0.16 0.00 0.00 57.16 55.07 3b4s n GLU 72 Cb 0.13 -1.48 0.54 0.00 1.43 0.00 0.00 31.44 32.06 3b4s n GLU 72 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3b4s n HIS 73 N 1.40 0.00 -4.44 -1.84 8.25 -0.96 -4.88 115.22 112.74 3b4s n HIS 73 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 3b4s n HIS 73 Cb 0.60 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.54 2.68 -0.45 2.41 1.02 -1.09 -4.51 118.68 116.19 3b4s s LEU 74 Ca 0.21 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.79 3b4s s LEU 74 Cb 0.14 -1.54 0.12 0.00 0.02 0.00 0.00 46.19 44.93 3b4s s LEU 74 CO 0.32 0.21 0.29 -0.70 0.02 0.00 0.00 176.35 176.49 3b4s s GLU 75 N -1.87 2.28 0.02 1.70 -6.30 -1.26 -4.93 118.70 108.33 3b4s s GLU 75 Ca 0.17 -1.83 0.14 0.00 -2.50 0.00 0.00 54.97 50.94 3b4s s GLU 75 Cb -0.11 -3.77 -0.19 0.00 0.00 0.00 0.00 34.13 30.07 3b4s s GLU 75 CO 0.08 -1.14 0.79 0.74 0.02 0.00 0.00 175.26 175.76 3b4s h PHE 76 N 8.20 0.00 0.00 5.30 -1.00 -1.93 -3.26 116.94 124.26 3b4s h PHE 76 Ca -0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.62 3b4s h PHE 76 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 3b4s h PHE 76 CO 0.61 0.84 0.00 0.39 -1.61 0.00 0.00 178.31 178.54 3b4s n GLU 77 N -3.02 0.42 -1.73 1.51 -0.58 -1.26 -3.95 120.64 112.03 3b4s n GLU 77 Ca -0.12 0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.68 3b4s n GLU 77 Cb 0.96 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.39 3b4s n GLU 77 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3b4s n LYS 78 N -1.13 1.09 0.00 3.49 5.02 -1.26 -5.12 118.16 120.26 3b4s n LYS 78 Ca 0.11 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 3b4s n LYS 78 Cb 0.09 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b4s n GLY 79 N -0.20 -1.70 0.16 0.72 0.00 -1.25 -4.26 105.19 98.67 3b4s n GLY 79 Ca 0.12 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.35 -0.65 0.99 5.85 -1.92 -2.37 115.31 116.85 3b4s h LEU 80 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3b4s h LEU 80 Cb 0.00 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3b4s h LEU 80 CO 0.00 -0.17 0.42 0.44 -0.34 0.00 0.00 178.44 178.79 3b4s h ASP 81 N -0.20 0.70 -0.77 1.25 3.32 -1.97 0.21 116.42 118.96 3b4s h ASP 81 Ca 0.05 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.21 3b4s h ASP 81 Cb 0.26 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3b4s h ASP 81 CO -0.13 0.49 0.51 0.00 -1.72 0.00 0.00 179.24 178.39 3b4s h ALA 82 N 1.27 1.90 0.37 3.45 0.00 -1.65 -0.32 119.26 124.28 3b4s h ALA 82 Ca 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3b4s h ALA 82 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b4s h ALA 82 CO -0.09 -0.08 -0.18 0.35 0.00 0.00 0.00 179.25 179.25 3b4s h PHE 83 N 0.59 -0.46 -0.62 0.00 3.04 -0.51 -2.33 116.94 116.65 3b4s h PHE 83 Ca 0.37 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.40 3b4s h PHE 83 Cb 0.61 0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.20 3b4s h PHE 83 CO -0.00 -0.13 0.23 0.77 -2.02 0.00 0.00 178.31 177.17 3b4s h SER 84 N -0.90 0.23 -0.37 0.41 0.02 -0.81 -0.74 113.55 111.39 3b4s h SER 84 Ca -0.05 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3b4s h SER 84 Cb 0.54 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 3b4s h SER 84 CO 0.08 0.14 -0.22 0.00 -1.14 0.00 0.00 176.83 175.69 3b4s n GLN 85 N -4.99 -0.16 -0.34 3.45 3.00 -0.16 -1.26 117.38 116.91 3b4s n GLN 85 Ca 0.09 1.14 0.04 0.00 -0.01 0.00 0.00 57.00 58.26 3b4s n GLN 85 Cb 0.28 -1.69 0.21 0.00 0.00 0.00 0.00 30.24 29.04 3b4s n GLN 85 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3b4s h SER 86 N 0.00 0.97 -0.03 1.08 4.64 -0.59 0.46 113.55 120.08 3b4s h SER 86 Ca 0.06 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3b4s h SER 86 Cb 0.15 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3b4s h SER 86 CO -0.35 0.61 -0.14 -0.25 -0.87 0.00 0.00 176.83 175.83 3b4s h TRP 87 N 1.09 -0.35 -0.25 4.77 2.91 -0.72 0.28 115.95 123.68 3b4s h TRP 87 Ca 0.42 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.46 3b4s h TRP 87 Cb 0.22 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 3b4s h TRP 87 CO -0.00 -0.20 0.15 0.82 -1.03 0.00 0.00 178.44 178.18 3b4s h ILE 88 N -0.21 1.09 -0.53 2.65 1.08 0.44 -0.06 117.51 121.96 3b4s h ILE 88 Ca 0.06 -0.20 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3b4s h ILE 88 Cb 0.29 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 3b4s h ILE 88 CO -0.16 0.08 0.24 0.11 -0.69 0.00 0.00 178.15 177.74 3b4s h LYS 89 N 0.31 0.45 0.00 2.37 1.57 -0.95 -1.85 116.57 118.47 3b4s h LYS 89 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3b4s h LYS 89 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3b4s h LYS 89 CO -0.02 0.30 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 3b4s h ALA 90 N 1.31 1.02 0.00 3.86 0.00 -0.35 -2.70 119.26 122.39 3b4s h ALA 90 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3b4s h ALA 90 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3b4s h ALA 90 CO -0.20 0.04 0.00 1.25 0.00 0.00 0.00 179.25 180.35 3b4s h LEU 91 N 0.00 0.00 -3.53 0.00 5.85 -0.14 -1.95 115.31 115.54 3b4s h LEU 91 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3b4s h LEU 91 Cb 0.48 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3b4s h LEU 91 CO 0.00 0.00 0.13 -1.84 -0.34 0.00 0.00 178.44 176.40 3b4s n GLU 92 N -2.79 3.11 -5.08 1.25 0.28 -1.02 -4.81 120.64 111.59 3b4s n GLU 92 Ca 0.02 -3.04 -0.32 0.00 -0.16 0.00 0.00 57.16 53.65 3b4s n GLU 92 Cb 0.31 -2.04 -0.15 0.00 1.43 0.00 0.00 31.44 30.99 3b4s n GLU 92 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3b4s s ASP 93 N -1.59 3.47 0.27 -1.84 2.15 -0.73 -5.06 116.67 113.33 3b4s s ASP 93 Ca 0.50 -0.41 0.24 0.00 0.43 0.00 0.00 52.55 53.30 3b4s s ASP 93 Cb 0.41 -1.05 0.34 0.00 -0.30 0.00 0.00 42.92 42.31 3b4s s ASP 93 CO 0.09 0.24 1.43 0.77 -0.17 0.00 0.00 175.17 177.54 3b4s h SER 94 N 6.11 0.00 0.14 -0.34 4.64 -1.89 -1.14 113.55 121.08 3b4s h SER 94 Ca -0.32 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3b4s h SER 94 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3b4s h SER 94 CO 0.50 0.02 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.33 3b4s h GLU 95 N 0.00 -0.19 -0.00 4.77 4.81 -1.97 0.72 114.58 122.72 3b4s h GLU 95 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3b4s h GLU 95 Cb 0.90 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3b4s h GLU 95 CO 0.00 0.03 -0.25 0.35 -0.73 0.00 0.00 179.01 178.41 3b4s h PHE 96 N -0.38 -0.74 -0.98 0.92 3.57 -1.84 -1.77 116.94 115.72 3b4s h PHE 96 Ca -0.02 0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.83 3b4s h PHE 96 Cb 0.30 0.32 -0.16 0.00 2.79 0.00 0.00 35.95 39.21 3b4s h PHE 96 CO -0.01 -0.27 0.49 1.25 -2.23 0.00 0.00 178.31 177.54 3b4s h LEU 97 N -0.31 0.35 0.00 0.59 7.12 -1.10 0.18 115.31 122.13 3b4s h LEU 97 Ca 0.01 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.23 3b4s h LEU 97 Cb 0.34 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 3b4s h LEU 97 CO -0.17 -0.22 -0.29 0.00 -0.13 0.00 0.00 178.44 177.63 3b4s n ALA 98 N -2.39 2.77 0.04 1.25 0.00 0.24 -1.47 120.51 120.95 3b4s n ALA 98 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 3b4s n ALA 98 Cb 1.00 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 3b4s n ALA 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3b4s h ILE 99 N 0.00 1.02 -0.05 0.00 2.04 0.17 -3.12 117.51 117.56 3b4s h ILE 99 Ca 0.00 -2.68 -0.18 0.00 1.00 0.00 0.00 64.86 63.00 3b4s h ILE 99 Cb 0.62 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3b4s h ILE 99 CO 0.00 0.58 -0.75 0.25 0.00 0.00 0.00 178.15 178.23 3b4s h LEU 100 N 0.00 0.39 -0.75 1.44 5.85 -0.79 -1.60 115.31 119.85 3b4s h LEU 100 Ca -0.14 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 3b4s h LEU 100 Cb 1.76 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 3b4s h LEU 100 CO 0.08 1.00 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.68 3b4s h ARG 101 N 0.21 0.47 -0.47 1.25 2.43 -1.36 -1.76 114.38 115.14 3b4s h ARG 101 Ca -0.03 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3b4s h ARG 101 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3b4s h ARG 101 CO 0.12 0.80 0.10 1.25 -1.51 0.00 0.00 179.97 180.73 3b4s h LEU 102 N 0.38 0.73 -0.68 3.80 5.85 -1.43 -0.86 115.31 123.10 3b4s h LEU 102 Ca 0.03 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 3b4s h LEU 102 Cb 0.88 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3b4s h LEU 102 CO 0.07 0.78 0.03 -0.07 -0.34 0.00 0.00 178.44 178.92 3b4s h LEU 103 N 0.64 1.02 -1.20 2.25 3.38 -1.16 -1.97 115.31 118.26 3b4s h LEU 103 Ca 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3b4s h LEU 103 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3b4s h LEU 103 CO 0.00 1.05 0.30 -0.26 0.09 0.00 0.00 178.44 179.63 3b4s h PHE 104 N 0.97 0.84 -0.48 1.13 0.04 -1.18 -2.69 116.94 115.57 3b4s h PHE 104 Ca 0.18 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 3b4s h PHE 104 Cb 0.51 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3b4s h PHE 104 CO 0.04 0.61 -0.08 1.25 -0.60 0.00 0.00 178.31 179.52 3b4s h HIS 105 N 0.85 0.95 0.02 -0.55 2.76 -0.44 -1.50 115.15 117.23 3b4s h HIS 105 Ca 0.21 -0.17 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3b4s h HIS 105 Cb 0.08 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3b4s h HIS 105 CO 0.01 0.90 -0.14 1.25 -1.30 0.00 0.00 177.93 178.64 3b4s h HIS 106 N 0.78 -0.37 0.00 5.26 6.17 -1.05 -2.04 115.15 123.90 3b4s h HIS 106 Ca 0.13 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.19 3b4s h HIS 106 Cb 0.59 0.16 -0.00 0.00 2.52 0.00 0.00 27.41 30.68 3b4s h HIS 106 CO 0.03 -0.21 -0.19 -0.84 0.71 0.00 0.00 177.93 177.43 3b4s h ILE 107 N -0.25 0.27 -0.08 6.26 3.07 -1.49 -2.93 117.51 122.36 3b4s h ILE 107 Ca 0.04 -1.38 -0.08 0.00 1.55 0.00 0.00 64.86 65.00 3b4s h ILE 107 Cb 0.30 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3b4s h ILE 107 CO -0.13 0.15 -0.26 0.58 -1.05 0.00 0.00 178.15 177.44 3b4s h VAL 108 N 0.00 1.42 -0.57 0.16 2.07 -1.20 -3.35 116.25 114.78 3b4s h VAL 108 Ca -0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3b4s h VAL 108 Cb 1.12 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3b4s h VAL 108 CO 0.02 0.47 0.00 0.35 0.02 0.00 0.00 177.57 178.43 3b4s n THR 109 N -4.48 0.81 -3.73 2.57 -2.24 -0.78 -4.82 114.28 101.63 3b4s n THR 109 Ca -0.08 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.80 3b4s n THR 109 Cb 0.46 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 3b4s n THR 109 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b4s s SER 110 N -0.99 -0.44 0.97 3.42 1.04 -1.11 -5.06 113.70 111.53 3b4s s SER 110 Ca 0.38 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.53 3b4s s SER 110 Cb 0.20 0.83 0.18 0.00 0.10 0.00 0.00 66.02 67.34 3b4s s SER 110 CO 0.26 -0.15 1.07 -0.62 0.98 0.00 0.00 173.24 174.78 3b4s n GLU 111 N 3.05 -0.97 -4.47 4.02 1.02 -1.26 -4.69 120.64 117.34 3b4s n GLU 111 Ca -0.15 -1.76 -0.24 0.00 -0.02 0.00 0.00 57.16 55.00 3b4s n GLU 111 Cb 0.57 -1.07 -0.10 0.00 -0.02 0.00 0.00 31.44 30.81 3b4s n GLU 111 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3b4s s SER 112 N -4.96 3.41 0.12 1.62 1.04 -1.26 -5.05 113.70 108.63 3b4s s SER 112 Ca 0.62 -1.09 -0.25 0.00 0.48 0.00 0.00 55.95 55.70 3b4s s SER 112 Cb -0.02 -0.28 -0.05 0.00 0.10 0.00 0.00 66.02 65.78 3b4s s SER 112 CO 0.43 -0.10 1.65 0.00 0.98 0.00 0.00 173.24 176.20 3b4s h ALA 113 N 2.24 -0.28 -0.08 5.32 0.00 -2.00 -2.88 119.26 121.57 3b4s h ALA 113 Ca -0.40 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3b4s h ALA 113 Cb 1.25 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3b4s h ALA 113 CO 0.64 -0.72 -0.13 1.12 0.00 0.00 0.00 179.25 180.16 3b4s h HIS 114 N -0.34 0.13 -0.02 0.00 -0.00 -1.99 -2.02 115.15 110.91 3b4s h HIS 114 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3b4s h HIS 114 Cb 0.43 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3b4s h HIS 114 CO -0.27 0.26 -0.01 0.93 -0.00 0.00 0.00 177.93 178.84 3b4s h GLU 115 N 0.12 0.04 -0.52 5.12 4.39 -1.91 -3.18 114.58 118.63 3b4s h GLU 115 Ca 0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 3b4s h GLU 115 Cb 0.32 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3b4s h GLU 115 CO 0.02 0.43 0.14 0.35 -1.16 0.00 0.00 179.01 178.79 3b4s h PHE 116 N -0.35 0.87 0.00 4.33 3.57 -1.41 -3.23 116.94 120.73 3b4s h PHE 116 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3b4s h PHE 116 Cb 0.41 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3b4s h PHE 116 CO 0.06 0.75 0.00 0.00 -2.23 0.00 0.00 178.31 176.90 3b4s h ALA 117 N 1.01 1.00 -1.02 2.41 0.00 -1.41 -2.35 119.26 118.90 3b4s h ALA 117 Ca 0.17 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.32 3b4s h ALA 117 Cb 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.85 3b4s h ALA 117 CO -0.00 0.00 1.09 0.00 0.00 0.00 0.00 179.25 180.34 3b4s n ALA 118 N -1.95 6.38 -2.17 0.00 0.00 -1.20 -4.94 120.51 116.62 3b4s n ALA 118 Ca 0.00 -4.20 -0.21 0.00 0.00 0.00 0.00 53.44 49.04 3b4s n ALA 118 Cb 0.22 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.55 3b4s n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b4s s ASN 119 N -0.94 5.62 0.10 0.00 2.20 -0.89 -5.01 114.94 116.03 3b4s s ASN 119 Ca 0.48 0.00 -0.18 0.00 -0.94 0.00 0.00 52.86 52.23 3b4s s ASN 119 Cb 0.32 -1.12 -0.06 0.00 -2.00 0.00 0.00 41.25 38.40 3b4s s ASN 119 CO -0.27 -0.83 1.60 1.23 -2.94 0.00 0.00 177.10 175.89 3b4s h GLY 120 N 0.39 0.50 1.00 0.45 0.00 -1.94 -2.74 103.07 100.72 3b4s h GLY 120 Ca -0.44 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3b4s h GLY 120 CO 0.53 0.29 0.34 -2.22 0.00 0.00 0.00 176.54 175.48 3b4s h ILE 121 N 0.31 1.15 -0.65 2.60 1.08 -1.98 0.15 117.51 120.17 3b4s h ILE 121 Ca 0.09 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.20 3b4s h ILE 121 Cb 0.28 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3b4s h ILE 121 CO 0.00 0.15 0.17 -0.78 -0.69 0.00 0.00 178.15 177.00 3b4s h ASP 122 N 0.72 0.97 -0.67 1.72 1.82 -1.93 -0.20 116.42 118.86 3b4s h ASP 122 Ca 0.19 -0.23 0.07 0.00 -0.39 0.00 0.00 57.03 56.68 3b4s h ASP 122 Cb -0.05 -0.26 -0.06 0.00 0.68 0.00 0.00 39.33 39.64 3b4s h ASP 122 CO -0.04 0.94 0.36 -0.09 -1.61 0.00 0.00 179.24 178.80 3b4s h ARG 123 N 0.95 0.63 0.75 0.28 2.43 -0.92 -1.38 114.38 117.12 3b4s h ARG 123 Ca 0.21 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3b4s h ARG 123 Cb 0.34 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3b4s h ARG 123 CO -0.00 0.42 -0.36 1.25 -1.51 0.00 0.00 179.97 179.77 3b4s h LEU 124 N 0.65 -0.86 -0.99 3.80 6.46 -0.39 -2.80 115.31 121.19 3b4s h LEU 124 Ca 0.31 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.26 3b4s h LEU 124 Cb 0.23 0.22 -0.18 0.00 -0.73 0.00 0.00 40.66 40.20 3b4s h LEU 124 CO -0.20 -0.56 -0.29 0.00 -0.62 0.00 0.00 178.44 176.77 3b4s n TYR 125 N -5.49 0.25 0.24 1.25 9.36 -0.12 -0.90 117.16 121.74 3b4s n TYR 125 Ca -0.14 1.21 0.00 0.00 3.32 0.00 0.00 57.90 62.29 3b4s n TYR 125 Cb 0.41 -1.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.11 3b4s n TYR 125 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3b4s n LYS 126 N -5.57 0.24 0.00 2.98 4.76 -0.53 -1.41 118.16 118.63 3b4s n LYS 126 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3b4s n LYS 126 Cb 0.46 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3b4s n LYS 126 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3b4s n VAL 128 N 0.70 0.00 -0.17 -0.18 0.31 -0.08 -1.09 118.33 117.82 3b4s n VAL 128 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3b4s n VAL 128 Cb 0.10 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.05 3b4s n VAL 128 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3b4s h GLU 129 N 0.00 0.66 -0.58 5.55 4.81 -1.45 0.43 114.58 124.00 3b4s h GLU 129 Ca 0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3b4s h GLU 129 Cb 0.00 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 3b4s h GLU 129 CO 0.00 0.43 0.31 1.03 -0.73 0.00 0.00 179.01 180.06 3b4s h SER 130 N 0.68 0.46 0.34 1.04 0.87 -1.36 0.21 113.55 115.78 3b4s h SER 130 Ca 0.19 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.45 3b4s h SER 130 Cb -0.06 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3b4s h SER 130 CO -0.05 0.31 -1.75 -0.61 -0.53 0.00 0.00 176.83 174.20 3b4s h GLN 131 N 0.59 0.20 0.00 2.24 5.75 -1.76 -3.40 115.11 118.73 3b4s h GLN 131 Ca 0.26 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3b4s h GLN 131 Cb 0.15 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3b4s h GLN 131 CO -0.17 1.00 0.00 1.19 -2.65 0.00 0.00 178.83 178.21 3b4s n PHE 132 N -3.37 0.00 -4.34 3.99 3.72 0.15 -5.07 117.46 112.55 3b4s n PHE 132 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3b4s n PHE 132 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.13 -1.47 0.34 1.37 0.00 0.74 -2.11 105.19 104.19 3b4s n GLY 133 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 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 0.88 -0.71 1.61 4.64 -1.93 -1.62 113.55 116.43 3b4s h SER 134 Ca 0.00 -0.07 0.12 0.00 -0.47 0.00 0.00 61.79 61.37 3b4s h SER 134 Cb 0.00 -0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 61.74 3b4s h SER 134 CO 0.00 0.70 -0.35 1.23 -0.87 0.00 0.00 176.83 177.54 3b4s h GLY 135 N 1.04 -0.06 0.80 -0.77 0.00 -1.98 0.16 103.07 102.25 3b4s h GLY 135 Ca 0.25 0.46 0.03 0.00 0.00 0.00 0.00 47.33 48.08 3b4s h GLY 135 CO -0.04 -0.21 0.26 -1.33 0.00 0.00 0.00 176.54 175.22 3b4s h GLY 136 N -0.12 0.67 0.47 4.60 0.00 -0.77 -2.29 103.07 105.63 3b4s h GLY 136 Ca 0.26 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.53 3b4s h GLY 136 CO -0.77 0.14 0.61 -0.55 0.00 0.00 0.00 176.54 175.96 3b4s h ASP 137 N 0.51 0.89 -0.28 0.19 3.45 -0.50 0.53 116.42 121.21 3b4s h ASP 137 Ca 0.20 0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 3b4s h ASP 137 Cb 0.08 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3b4s h ASP 137 CO -0.13 0.47 0.05 0.50 -1.57 0.00 0.00 179.24 178.57 3b4s h LYS 138 N 0.96 0.46 -0.49 3.56 3.11 -0.42 -0.23 116.57 123.51 3b4s h LYS 138 Ca 0.49 -0.12 -0.12 0.00 -2.81 0.00 0.00 60.65 58.09 3b4s h LYS 138 Cb 0.48 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 3b4s h LYS 138 CO -0.27 0.56 -0.16 1.49 -2.81 0.00 0.00 179.45 178.26 3b4s h GLU 139 N 0.28 0.98 -0.53 1.90 4.57 -0.76 -1.95 114.58 119.07 3b4s h GLU 139 Ca 0.09 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 3b4s h GLU 139 Cb 0.32 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3b4s h GLU 139 CO 0.00 1.07 0.32 1.25 -1.18 0.00 0.00 179.01 180.47 3b4s h LEU 140 N 0.83 0.52 -0.69 1.64 6.46 0.16 0.18 115.31 124.41 3b4s h LEU 140 Ca 0.12 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3b4s h LEU 140 Cb 0.73 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3b4s h LEU 140 CO 0.06 0.37 0.44 -0.33 -0.62 0.00 0.00 178.44 178.35 3b4s h GLU 141 N 0.64 0.84 0.00 1.25 5.08 -0.79 0.10 114.58 121.70 3b4s h GLU 141 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3b4s h GLU 141 Cb 0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3b4s h GLU 141 CO -0.09 0.55 -0.00 2.35 -1.00 0.00 0.00 179.01 180.82 3b4s h TRP 142 N 0.86 -0.00 -0.25 4.33 7.01 -0.89 -1.13 115.95 125.87 3b4s h TRP 142 Ca 0.27 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.34 3b4s h TRP 142 Cb -0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 26.99 3b4s h TRP 142 CO -0.04 0.17 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.52 3b4s h LEU 143 N -0.17 -0.63 -0.67 0.65 3.38 -0.51 0.98 115.31 118.34 3b4s h LEU 143 Ca -0.00 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3b4s h LEU 143 Cb 0.17 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3b4s h LEU 143 CO 0.00 -0.23 0.34 0.40 0.09 0.00 0.00 178.44 179.04 3b4s h ILE 144 N -0.18 0.89 -0.17 1.22 2.04 -0.75 0.04 117.51 120.60 3b4s h ILE 144 Ca 0.14 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3b4s h ILE 144 Cb 0.40 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3b4s h ILE 144 CO -0.36 0.11 0.06 1.23 0.00 0.00 0.00 178.15 179.18 3b4s h GLY 145 N 0.60 0.27 -0.33 5.37 0.00 -0.29 0.95 103.07 109.65 3b4s h GLY 145 Ca 0.32 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3b4s h GLY 145 CO -0.23 0.15 -0.42 3.21 0.00 0.00 0.00 176.54 179.24 3b4s h ARG 146 N 0.10 -0.29 -0.38 4.80 2.47 -0.46 -0.13 114.38 120.49 3b4s h ARG 146 Ca 0.05 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 3b4s h ARG 146 Cb 0.20 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3b4s h ARG 146 CO -0.00 -0.19 0.20 0.77 0.56 0.00 0.00 179.97 181.30 3b4s h SER 147 N -0.30 0.29 -0.46 7.04 0.02 -0.67 0.18 113.55 119.65 3b4s h SER 147 Ca 0.15 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 3b4s h SER 147 Cb 0.58 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3b4s h SER 147 CO -0.60 0.21 0.24 0.25 -1.14 0.00 0.00 176.83 175.80 3b4s h LEU 148 N 0.40 0.35 0.69 5.07 7.12 -0.27 -2.69 115.31 125.99 3b4s h LEU 148 Ca 0.16 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 3b4s h LEU 148 Cb 0.06 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 3b4s h LEU 148 CO -0.10 0.25 -0.45 0.40 -0.13 0.00 0.00 178.44 178.40 3b4s h ILE 149 N 0.47 0.09 0.00 4.05 5.03 -0.74 -3.10 117.51 123.32 3b4s h ILE 149 Ca 0.20 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.94 3b4s h ILE 149 Cb 0.09 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 33.97 3b4s h ILE 149 CO -0.13 0.00 0.00 1.67 -0.68 0.00 0.00 178.15 179.01 3b4s n GLN 150 N -5.58 0.00 0.00 2.37 7.27 0.03 -3.10 117.38 118.36 3b4s n GLN 150 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 3b4s n GLN 150 Cb 0.46 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3b4s n GLN 150 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3b4s n SER 152 N 1.15 0.00 0.00 1.69 3.41 -1.17 -5.08 113.62 113.61 3b4s n SER 152 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3b4s n SER 152 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3b4s n SER 152 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05