#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s h ARG 65 N 0.00 0.18 0.38 1.61 9.65 -2.10 -3.07 114.38 121.04 3b4s h ARG 65 Ca 0.00 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 3b4s h ARG 65 Cb 0.00 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3b4s h ARG 65 CO 0.00 1.10 -0.27 0.82 2.80 0.00 0.00 179.97 184.42 3b4s h ILE 66 N -0.59 0.44 -1.00 1.20 2.04 -2.06 -3.15 117.51 114.38 3b4s h ILE 66 Ca -0.07 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.00 3b4s h ILE 66 Cb 1.30 0.44 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 3b4s h ILE 66 CO 0.08 0.00 0.60 0.15 0.00 0.00 0.00 178.15 178.98 3b4s h PHE 67 N -0.64 1.05 0.00 1.37 3.04 -2.04 -0.93 116.94 118.79 3b4s h PHE 67 Ca -0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3b4s h PHE 67 Cb 0.54 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.74 3b4s h PHE 67 CO -0.12 0.17 0.00 1.17 -2.02 0.00 0.00 178.31 177.51 3b4s n LYS 68 N -4.82 0.00 0.00 1.11 4.81 -1.16 -2.56 118.16 115.54 3b4s n LYS 68 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3b4s n LYS 68 Cb 0.64 -0.95 0.00 0.00 0.02 0.00 0.00 35.03 34.74 3b4s n LYS 68 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3b4s n PHE 70 N -0.12 0.00 -0.39 5.64 7.35 -0.36 -2.37 117.46 127.21 3b4s n PHE 70 Ca 0.00 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 57.01 3b4s n PHE 70 Cb 0.00 0.00 0.59 0.00 0.35 0.00 0.00 39.48 40.42 3b4s n PHE 70 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3b4s h ILE 71 N 0.00 0.20 -1.12 -2.13 1.08 -1.79 -2.18 117.51 111.56 3b4s h ILE 71 Ca 0.00 -0.06 0.33 0.00 -0.39 0.00 0.00 64.86 64.74 3b4s h ILE 71 Cb 0.00 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 33.72 3b4s h ILE 71 CO 0.00 0.03 0.85 -0.33 -0.69 0.00 0.00 178.15 178.01 3b4s h GLU 72 N 0.17 0.00 0.00 2.37 4.39 -1.75 0.34 114.58 120.10 3b4s h GLU 72 Ca 0.78 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.33 3b4s h GLU 72 Cb 2.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.84 3b4s h GLU 72 CO -0.48 0.00 -0.70 0.45 -1.16 0.00 0.00 179.01 177.12 3b4s h HIS 73 N 0.00 0.00 -3.11 4.33 3.86 -1.72 -3.47 115.15 115.04 3b4s h HIS 73 Ca 0.53 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 59.15 3b4s h HIS 73 Cb 2.23 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.66 3b4s h HIS 73 CO 0.00 0.70 -0.31 -0.51 0.86 0.00 0.00 177.93 178.67 3b4s s LEU 74 N -6.63 4.30 -0.32 2.43 1.43 0.12 -4.66 118.68 115.35 3b4s s LEU 74 Ca 0.02 0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 53.64 3b4s s LEU 74 Cb 0.09 -3.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 3b4s s LEU 74 CO 0.77 0.11 0.17 -0.70 0.23 0.00 0.00 176.35 176.93 3b4s s GLU 75 N -2.37 3.26 -0.03 1.70 2.56 -1.26 -4.95 118.70 117.61 3b4s s GLU 75 Ca 0.37 -0.77 0.19 0.00 0.00 0.00 0.00 54.97 54.76 3b4s s GLU 75 Cb -0.13 -3.60 -0.30 0.00 2.00 0.00 0.00 34.13 32.10 3b4s s GLU 75 CO 0.22 -0.46 0.41 1.19 -0.56 0.00 0.00 175.26 176.06 3b4s n PHE 76 N 4.99 0.00 0.03 5.30 3.01 -1.26 -3.81 117.46 125.72 3b4s n PHE 76 Ca -0.13 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.28 3b4s n PHE 76 Cb 0.49 -0.46 0.17 0.00 -0.01 0.00 0.00 39.48 39.66 3b4s n PHE 76 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3b4s h GLU 77 N 0.00 0.45 -0.46 -1.08 4.39 -1.99 -3.36 114.58 112.53 3b4s h GLU 77 Ca -0.02 -0.21 -0.26 0.00 0.34 0.00 0.00 59.36 59.21 3b4s h GLU 77 Cb 0.93 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.42 3b4s h GLU 77 CO 0.00 0.75 -0.09 1.63 -1.16 0.00 0.00 179.01 180.14 3b4s n LYS 78 N -4.05 2.08 -0.52 2.33 5.02 -1.26 -5.06 118.16 116.70 3b4s n LYS 78 Ca -0.01 -3.31 0.06 0.00 -2.02 0.00 0.00 58.31 53.03 3b4s n LYS 78 Cb 0.47 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.07 -2.94 0.18 0.72 0.00 -1.26 -4.13 105.19 96.69 3b4s n GLY 79 Ca 0.37 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 3b4s n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3b4s n LEU 80 N -2.74 -0.45 0.02 0.99 4.32 -1.26 -1.86 117.00 116.02 3b4s n LEU 80 Ca -0.03 0.84 -0.12 0.00 -0.02 0.00 0.00 56.01 56.68 3b4s n LEU 80 Cb 0.24 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 41.84 3b4s n LEU 80 CO 0.01 -0.66 0.60 0.44 -1.22 0.00 0.00 177.39 176.56 3b4s h ASP 81 N 0.00 -1.24 -0.35 -1.43 3.32 -1.99 0.35 116.42 115.08 3b4s h ASP 81 Ca 0.07 0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.38 3b4s h ASP 81 Cb 0.17 0.50 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3b4s h ASP 81 CO -0.40 -0.42 0.26 0.00 -1.72 0.00 0.00 179.24 176.96 3b4s h ALA 82 N 0.12 2.27 0.28 3.45 0.00 -1.52 0.10 119.26 123.95 3b4s h ALA 82 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3b4s h ALA 82 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3b4s h ALA 82 CO -0.36 -0.44 -0.13 0.35 0.00 0.00 0.00 179.25 178.66 3b4s h PHE 83 N 0.00 -0.35 -0.63 0.00 3.57 -0.82 -1.59 116.94 117.12 3b4s h PHE 83 Ca 0.16 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3b4s h PHE 83 Cb 0.69 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.44 3b4s h PHE 83 CO 0.00 0.01 -0.48 0.77 -2.23 0.00 0.00 178.31 176.37 3b4s h SER 84 N -0.79 -1.68 -0.77 0.41 0.02 -0.74 -1.34 113.55 108.66 3b4s h SER 84 Ca -0.04 0.26 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 3b4s h SER 84 Cb 0.51 0.75 -0.12 0.00 0.14 0.00 0.00 62.40 63.68 3b4s h SER 84 CO 0.06 -0.33 0.18 1.56 -1.14 0.00 0.00 176.83 177.16 3b4s h GLN 85 N -0.22 0.25 -0.50 3.45 1.08 -0.97 0.21 115.11 118.41 3b4s h GLN 85 Ca 0.16 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 3b4s h GLN 85 Cb 0.55 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3b4s h GLN 85 CO -0.73 0.16 0.16 0.66 -0.95 0.00 0.00 178.83 178.13 3b4s h SER 86 N 0.25 0.72 0.40 1.46 4.64 -0.49 -1.61 113.55 118.92 3b4s h SER 86 Ca 0.44 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3b4s h SER 86 Cb 0.78 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3b4s h SER 86 CO -0.55 0.74 -0.19 -0.25 -0.87 0.00 0.00 176.83 175.71 3b4s h TRP 87 N 0.67 -0.50 -0.41 4.77 2.91 0.36 -0.85 115.95 122.90 3b4s h TRP 87 Ca 0.16 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.25 3b4s h TRP 87 Cb 0.27 0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 29.00 3b4s h TRP 87 CO 0.01 -0.18 -0.29 0.82 -1.03 0.00 0.00 178.44 177.77 3b4s h ILE 88 N -0.82 0.27 -1.00 2.65 2.04 -0.83 0.33 117.51 120.15 3b4s h ILE 88 Ca -0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.01 3b4s h ILE 88 Cb 0.54 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 3b4s h ILE 88 CO 0.09 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.36 3b4s h LYS 89 N -0.21 0.66 -0.12 2.37 3.64 -1.23 -0.58 116.57 121.10 3b4s h LYS 89 Ca 0.19 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3b4s h LYS 89 Cb 0.51 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3b4s h LYS 89 CO -0.53 0.44 -0.42 0.00 -2.27 0.00 0.00 179.45 176.67 3b4s h ALA 90 N 1.65 1.08 0.00 5.00 0.00 0.10 -2.50 119.26 124.59 3b4s h ALA 90 Ca 0.58 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b4s h ALA 90 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3b4s h ALA 90 CO -0.36 0.60 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3b4s n LEU 91 N -4.02 0.00 0.08 0.00 4.77 0.28 -1.80 117.00 116.30 3b4s n LEU 91 Ca -0.02 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.90 3b4s n LEU 91 Cb 0.48 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 3b4s n LEU 91 CO 0.42 -0.10 -0.49 -0.33 -1.33 0.00 0.00 177.39 175.56 3b4s h GLU 92 N 0.00 0.38 -6.39 3.23 5.08 -1.46 -3.45 114.58 111.97 3b4s h GLU 92 Ca 0.00 -0.65 -0.57 0.00 -1.00 0.00 0.00 59.36 57.14 3b4s h GLU 92 Cb 0.05 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3b4s h GLU 92 CO 0.00 1.29 1.10 0.34 -1.00 0.00 0.00 179.01 180.74 3b4s s ASP 93 N -7.26 6.33 0.44 1.42 2.15 -0.75 -4.91 116.67 114.10 3b4s s ASP 93 Ca -0.14 1.19 0.11 0.00 0.43 0.00 0.00 52.55 54.13 3b4s s ASP 93 Cb 0.06 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 41.11 3b4s s ASP 93 CO 0.86 -1.37 2.04 -1.28 -0.17 0.00 0.00 175.17 175.25 3b4s h SER 94 N 10.81 0.22 -0.18 -0.34 0.87 -1.87 -0.31 113.55 122.76 3b4s h SER 94 Ca -0.30 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 3b4s h SER 94 Cb 1.13 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 3b4s h SER 94 CO 1.04 0.24 -0.03 -0.33 -0.53 0.00 0.00 176.83 177.22 3b4s h GLU 95 N 0.25 0.47 -0.24 2.24 4.39 -1.94 -1.44 114.58 118.31 3b4s h GLU 95 Ca 0.06 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3b4s h GLU 95 Cb 0.11 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3b4s h GLU 95 CO -0.00 0.52 0.13 0.35 -1.16 0.00 0.00 179.01 178.85 3b4s h PHE 96 N 0.45 0.34 -0.94 4.33 3.57 -1.35 -2.28 116.94 121.06 3b4s h PHE 96 Ca 0.09 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.77 3b4s h PHE 96 Cb 0.35 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 3b4s h PHE 96 CO 0.01 0.30 0.60 1.25 -2.23 0.00 0.00 178.31 178.24 3b4s h LEU 97 N 0.28 0.57 -0.12 0.59 7.12 -1.02 -0.74 115.31 121.99 3b4s h LEU 97 Ca 0.09 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 3b4s h LEU 97 Cb 0.08 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 3b4s h LEU 97 CO -0.01 0.23 0.06 0.00 -0.13 0.00 0.00 178.44 178.59 3b4s h ALA 98 N 1.61 0.15 -0.84 1.25 0.00 -0.74 -1.52 119.26 119.17 3b4s h ALA 98 Ca 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 3b4s h ALA 98 Cb 1.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3b4s h ALA 98 CO -0.24 -0.32 0.44 0.82 0.00 0.00 0.00 179.25 179.95 3b4s h ILE 99 N 0.10 1.25 -0.97 0.00 2.04 -1.02 -1.48 117.51 117.43 3b4s h ILE 99 Ca 0.04 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3b4s h ILE 99 Cb 0.07 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 3b4s h ILE 99 CO -0.01 0.29 0.62 0.25 0.00 0.00 0.00 178.15 179.30 3b4s h LEU 100 N 1.18 1.13 -1.17 1.44 5.85 -0.73 -0.75 115.31 122.26 3b4s h LEU 100 Ca 0.29 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3b4s h LEU 100 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3b4s h LEU 100 CO -0.04 0.84 0.21 0.03 -0.34 0.00 0.00 178.44 179.14 3b4s h ARG 101 N 1.32 0.80 -0.99 1.25 3.08 -0.28 -2.10 114.38 117.47 3b4s h ARG 101 Ca 0.35 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3b4s h ARG 101 Cb -0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.75 3b4s h ARG 101 CO -0.07 0.66 0.64 -0.07 -1.07 0.00 0.00 179.97 180.06 3b4s h LEU 102 N 0.79 1.14 0.68 3.04 3.38 -0.49 -1.12 115.31 122.72 3b4s h LEU 102 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3b4s h LEU 102 Cb 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3b4s h LEU 102 CO -0.02 0.84 -0.33 0.25 0.09 0.00 0.00 178.44 179.27 3b4s h LEU 103 N 1.34 -0.77 -0.42 1.67 6.46 -0.76 -3.14 115.31 119.70 3b4s h LEU 103 Ca 0.36 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.14 3b4s h LEU 103 Cb -0.14 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3b4s h LEU 103 CO -0.08 -0.53 0.00 0.49 -0.62 0.00 0.00 178.44 177.70 3b4s n PHE 104 N -5.47 0.45 -0.24 1.25 3.72 -0.84 -3.90 117.46 112.42 3b4s n PHE 104 Ca -0.14 0.18 -0.08 0.00 -0.05 0.00 0.00 57.45 57.37 3b4s n PHE 104 Cb 0.37 -0.79 0.04 0.00 -0.94 0.00 0.00 39.48 38.16 3b4s n PHE 104 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3b4s h HIS 105 N 0.00 1.15 -0.28 1.38 2.76 -1.15 -2.78 115.15 116.23 3b4s h HIS 105 Ca 0.00 -0.14 -0.08 0.00 -2.20 0.00 0.00 60.37 57.95 3b4s h HIS 105 Cb 0.29 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3b4s h HIS 105 CO 0.00 0.94 -0.12 1.25 -1.30 0.00 0.00 177.93 178.70 3b4s h HIS 106 N 1.02 0.67 -0.12 5.26 -0.00 -1.77 -3.03 115.15 117.18 3b4s h HIS 106 Ca 0.21 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 3b4s h HIS 106 Cb 0.38 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 3b4s h HIS 106 CO 0.03 0.81 0.13 0.82 -0.00 0.00 0.00 177.93 179.73 3b4s h ILE 107 N 0.33 0.50 0.00 6.26 2.04 -1.73 -2.56 117.51 122.34 3b4s h ILE 107 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3b4s h ILE 107 Cb 0.63 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3b4s h ILE 107 CO 0.04 0.00 -0.93 0.52 0.00 0.00 0.00 178.15 177.78 3b4s n VAL 108 N -3.83 0.00 -0.55 1.67 0.31 -1.07 -4.85 118.33 110.00 3b4s n VAL 108 Ca 0.00 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 64.00 3b4s n VAL 108 Cb 0.24 0.99 0.22 0.00 -0.91 0.00 0.00 33.84 34.39 3b4s n VAL 108 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3b4s n THR 109 N -1.47 0.00 -3.70 2.52 5.66 -0.97 -5.10 114.28 111.23 3b4s n THR 109 Ca 0.04 -0.30 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 3b4s n THR 109 Cb 0.31 -0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 68.08 3b4s n THR 109 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3b4s s SER 110 N -2.43 -0.22 -0.03 1.09 1.04 -1.26 -5.06 113.70 106.84 3b4s s SER 110 Ca 0.67 -0.42 -0.23 0.00 0.48 0.00 0.00 55.95 56.45 3b4s s SER 110 Cb -0.24 0.50 -0.16 0.00 0.10 0.00 0.00 66.02 66.22 3b4s s SER 110 CO 0.63 -0.92 1.04 -0.33 0.98 0.00 0.00 173.24 174.64 3b4s h GLU 111 N 2.33 -0.27 -0.66 4.02 3.07 -2.00 -3.02 114.58 118.04 3b4s h GLU 111 Ca -0.32 0.02 0.19 0.00 -0.50 0.00 0.00 59.36 58.75 3b4s h GLU 111 Cb 1.26 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 3b4s h GLU 111 CO 0.44 0.12 0.48 0.66 -1.40 0.00 0.00 179.01 179.30 3b4s h SER 112 N -0.79 0.02 0.64 1.42 4.64 -2.01 -2.86 113.55 114.61 3b4s h SER 112 Ca -0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3b4s h SER 112 Cb 0.51 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3b4s h SER 112 CO 0.05 0.01 -0.38 0.00 -0.87 0.00 0.00 176.83 175.63 3b4s h ALA 113 N 1.67 -1.20 -0.95 5.18 0.00 -1.95 -2.00 119.26 120.01 3b4s h ALA 113 Ca 0.32 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.25 3b4s h ALA 113 Cb 1.24 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 3b4s h ALA 113 CO -0.01 -1.16 0.62 1.25 0.00 0.00 0.00 179.25 179.95 3b4s h HIS 114 N -0.95 0.55 0.39 0.00 6.17 -1.51 0.09 115.15 119.88 3b4s h HIS 114 Ca -0.09 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.00 3b4s h HIS 114 Cb 0.76 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 30.52 3b4s h HIS 114 CO -0.05 0.12 -0.26 1.49 0.71 0.00 0.00 177.93 179.94 3b4s h GLU 115 N 0.39 -0.60 -0.79 5.26 4.57 -1.55 -3.26 114.58 118.60 3b4s h GLU 115 Ca 0.50 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.86 3b4s h GLU 115 Cb 1.29 0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 29.88 3b4s h GLU 115 CO -0.20 -0.40 -0.25 0.34 -1.18 0.00 0.00 179.01 177.32 3b4s n PHE 116 N -3.96 0.16 0.26 0.92 7.35 -0.01 -0.97 117.46 121.21 3b4s n PHE 116 Ca -0.08 0.97 0.15 0.00 -0.76 0.00 0.00 57.45 57.73 3b4s n PHE 116 Cb 0.26 -0.88 0.64 0.00 0.35 0.00 0.00 39.48 39.85 3b4s n PHE 116 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3b4s h ALA 117 N 1.35 1.04 0.00 3.13 0.00 -1.54 -0.56 119.26 122.68 3b4s h ALA 117 Ca 0.33 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3b4s h ALA 117 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3b4s h ALA 117 CO -0.80 0.11 -1.92 0.00 0.00 0.00 0.00 179.25 176.64 3b4s n ALA 118 N -2.16 2.34 0.00 0.00 0.00 -0.26 -4.76 120.51 115.67 3b4s n ALA 118 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3b4s n ALA 118 Cb 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3b4s n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3b4s n ASN 119 N -2.27 3.22 -0.23 0.00 6.94 -0.14 -4.95 115.26 117.83 3b4s n ASN 119 Ca -0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.42 3b4s n ASN 119 Cb 0.64 0.57 0.03 0.00 -2.36 0.00 0.00 39.78 38.67 3b4s n ASN 119 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3b4s h GLY 120 N 0.00 0.08 1.14 4.83 0.00 -1.24 -1.72 103.07 106.16 3b4s h GLY 120 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3b4s h GLY 120 CO 0.00 -0.23 0.43 0.16 0.00 0.00 0.00 176.54 176.90 3b4s h ILE 121 N -0.10 1.24 0.24 2.60 -0.00 -1.92 -0.97 117.51 118.60 3b4s h ILE 121 Ca 0.27 -0.61 0.01 0.00 -0.00 0.00 0.00 64.86 64.53 3b4s h ILE 121 Cb 0.55 0.16 -0.03 0.00 -0.00 0.00 0.00 36.82 37.51 3b4s h ILE 121 CO -0.72 0.27 -0.29 -0.78 -0.00 0.00 0.00 178.15 176.62 3b4s h ASP 122 N 1.13 -0.80 -0.89 2.16 -0.00 -1.72 0.18 116.42 116.49 3b4s h ASP 122 Ca 0.28 0.08 0.16 0.00 -0.00 0.00 0.00 57.03 57.55 3b4s h ASP 122 Cb 0.04 0.28 -0.07 0.00 -0.00 0.00 0.00 39.33 39.59 3b4s h ASP 122 CO -0.04 -0.41 0.57 0.03 -0.00 0.00 0.00 179.24 179.39 3b4s h ARG 123 N -0.59 0.58 -0.01 0.28 3.08 -0.80 -0.82 114.38 116.10 3b4s h ARG 123 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3b4s h ARG 123 Cb 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3b4s h ARG 123 CO -0.09 0.38 -0.01 1.25 -1.07 0.00 0.00 179.97 180.43 3b4s h LEU 124 N 0.60 0.04 -0.01 3.04 6.46 -0.29 -3.23 115.31 121.92 3b4s h LEU 124 Ca 0.45 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3b4s h LEU 124 Cb 0.86 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 3b4s h LEU 124 CO -0.20 0.50 -0.16 0.22 -0.62 0.00 0.00 178.44 178.18 3b4s h TYR 125 N -0.43 -0.41 0.00 1.25 3.20 -0.19 0.07 116.97 120.46 3b4s h TYR 125 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3b4s h TYR 125 Cb 0.49 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3b4s h TYR 125 CO 0.09 -0.23 0.00 1.63 -1.64 0.00 0.00 178.16 178.01 3b4s n LYS 126 N -5.29 0.00 0.00 1.82 5.02 -0.36 -0.04 118.16 119.31 3b4s n LYS 126 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3b4s n LYS 126 Cb 0.21 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.04 0.00 0.00 -0.18 0.31 0.01 -0.50 118.33 117.93 3b4s n VAL 128 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 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 1.21 -1.32 0.00 0.00 176.83 176.72 3b4s n GLU 129 N 0.00 0.00 -0.27 5.55 4.07 0.94 -0.92 120.64 130.01 3b4s n GLU 129 Ca 0.00 0.72 0.26 0.00 -0.06 0.00 0.00 57.16 58.08 3b4s n GLU 129 Cb 0.00 -1.08 0.49 0.00 -0.06 0.00 0.00 31.44 30.79 3b4s n GLU 129 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3b4s n SER 130 N -2.69 0.28 -1.16 4.31 2.88 0.34 -0.77 113.62 116.81 3b4s n SER 130 Ca 0.00 1.34 0.04 0.00 -1.33 0.00 0.00 58.87 58.92 3b4s n SER 130 Cb 0.00 -0.66 0.04 0.00 -0.75 0.00 0.00 64.21 62.84 3b4s n SER 130 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3b4s n GLN 131 N -4.82 0.19 0.00 -1.46 10.64 -0.10 -4.62 117.38 117.22 3b4s n GLN 131 Ca 0.31 -1.93 0.00 0.00 -1.83 0.00 0.00 57.00 53.55 3b4s n GLN 131 Cb 1.07 -0.30 0.00 0.00 -0.86 0.00 0.00 30.24 30.14 3b4s n GLN 131 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3b4s n PHE 132 N 0.18 0.00 -3.99 2.61 3.72 -0.18 -5.04 117.46 114.76 3b4s n PHE 132 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3b4s n PHE 132 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 0.00 -1.83 0.30 1.37 0.00 0.05 -4.12 105.19 100.96 3b4s n GLY 133 Ca 0.00 -1.38 0.26 0.00 0.00 0.00 0.00 46.02 44.91 3b4s n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b4s n SER 134 N 0.54 0.24 -0.02 1.61 3.41 -1.26 -0.79 113.62 117.35 3b4s n SER 134 Ca 0.00 1.53 0.03 0.00 -0.26 0.00 0.00 58.87 60.17 3b4s n SER 134 Cb 0.00 -0.71 0.39 0.00 -0.26 0.00 0.00 64.21 63.62 3b4s n SER 134 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3b4s h GLY 135 N 0.00 0.62 1.92 5.00 0.00 -1.96 -1.17 103.07 107.48 3b4s h GLY 135 Ca 0.74 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.66 3b4s h GLY 135 CO -0.74 0.25 -0.73 -1.33 0.00 0.00 0.00 176.54 173.99 3b4s h GLY 136 N 0.65 0.08 0.68 4.60 0.00 -1.13 -2.84 103.07 105.11 3b4s h GLY 136 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3b4s h GLY 136 CO -0.03 0.11 -0.31 -0.55 0.00 0.00 0.00 176.54 175.76 3b4s h ASP 137 N 0.05 -0.84 -0.96 0.19 3.32 -1.15 0.23 116.42 117.25 3b4s h ASP 137 Ca -0.01 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3b4s h ASP 137 Cb 1.28 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 41.05 3b4s h ASP 137 CO 0.10 -0.45 0.61 0.11 -1.72 0.00 0.00 179.24 177.89 3b4s h LYS 138 N -0.67 1.06 -0.56 3.56 1.57 -1.58 -1.34 116.57 118.61 3b4s h LYS 138 Ca -0.02 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 3b4s h LYS 138 Cb 0.60 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3b4s h LYS 138 CO -0.05 0.70 -0.05 1.49 -0.57 0.00 0.00 179.45 180.97 3b4s h GLU 139 N 1.09 1.01 0.00 3.15 4.57 -1.22 -1.27 114.58 121.92 3b4s h GLU 139 Ca 0.42 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3b4s h GLU 139 Cb 0.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3b4s h GLU 139 CO -0.19 1.02 -0.00 1.25 -1.18 0.00 0.00 179.01 179.91 3b4s h LEU 140 N 0.91 -0.00 -0.42 1.64 5.85 -0.24 -1.56 115.31 121.49 3b4s h LEU 140 Ca 0.15 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.58 3b4s h LEU 140 Cb 0.60 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3b4s h LEU 140 CO 0.04 0.37 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.82 3b4s h GLU 141 N -0.38 -0.26 -0.43 1.25 5.08 -1.06 0.16 114.58 118.93 3b4s h GLU 141 Ca -0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3b4s h GLU 141 Cb 0.38 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 3b4s h GLU 141 CO 0.00 -0.17 -0.12 2.35 -1.00 0.00 0.00 179.01 180.07 3b4s h TRP 142 N -0.27 -0.25 -0.04 4.33 7.01 -1.14 -0.42 115.95 125.17 3b4s h TRP 142 Ca 0.17 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.21 3b4s h TRP 142 Cb 0.55 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.79 3b4s h TRP 142 CO -0.57 -0.19 0.03 -0.07 -2.79 0.00 0.00 178.44 174.84 3b4s h LEU 143 N -0.01 0.04 -0.58 0.65 3.38 -0.16 0.30 115.31 118.93 3b4s h LEU 143 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3b4s h LEU 143 Cb 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3b4s h LEU 143 CO -0.45 0.04 0.25 0.16 0.09 0.00 0.00 178.44 178.53 3b4s h ILE 144 N 0.05 1.22 -0.11 1.22 -0.00 -0.48 -1.32 117.51 118.09 3b4s h ILE 144 Ca 0.01 -0.65 0.04 0.00 -0.00 0.00 0.00 64.86 64.26 3b4s h ILE 144 Cb -0.00 0.57 -0.06 0.00 -0.00 0.00 0.00 36.82 37.33 3b4s h ILE 144 CO -0.00 0.26 -0.40 1.23 -0.00 0.00 0.00 178.15 179.24 3b4s h GLY 145 N 0.79 -0.66 -0.21 0.16 0.00 -0.72 -1.08 103.07 101.36 3b4s h GLY 145 Ca 0.20 0.49 0.30 0.00 0.00 0.00 0.00 47.33 48.32 3b4s h GLY 145 CO -0.02 -0.23 0.75 -0.09 0.00 0.00 0.00 176.54 176.96 3b4s h ARG 146 N -0.49 0.15 -0.04 4.80 9.65 0.17 -1.71 114.38 126.92 3b4s h ARG 146 Ca 0.08 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 3b4s h ARG 146 Cb 0.61 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3b4s h ARG 146 CO -0.37 0.10 -0.22 0.77 2.80 0.00 0.00 179.97 183.04 3b4s h SER 147 N 0.15 0.27 -0.44 -3.80 0.02 -0.09 -2.23 113.55 107.43 3b4s h SER 147 Ca 0.56 -0.66 0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3b4s h SER 147 Cb 1.90 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 64.28 3b4s h SER 147 CO -0.12 0.89 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.32 3b4s h LEU 148 N -0.33 -0.32 -0.81 5.07 3.38 -0.86 -1.69 115.31 119.74 3b4s h LEU 148 Ca -0.02 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3b4s h LEU 148 Cb 0.89 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 3b4s h LEU 148 CO 0.05 -0.11 0.47 0.40 0.09 0.00 0.00 178.44 179.33 3b4s h ILE 149 N 0.04 0.93 0.00 1.22 2.04 -1.21 -3.03 117.51 117.50 3b4s h ILE 149 Ca 0.22 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3b4s h ILE 149 Cb 0.33 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3b4s h ILE 149 CO -0.42 0.15 0.00 0.00 0.00 0.00 0.00 178.15 177.88 3b4s n GLN 150 N -4.74 0.00 0.00 2.37 1.13 -0.64 -3.15 117.38 112.36 3b4s n GLN 150 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 3b4s n GLN 150 Cb 0.26 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.35 3b4s n GLN 150 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3b4s n SER 152 N 1.73 0.00 0.00 1.08 3.41 -1.15 -5.10 113.62 113.59 3b4s n SER 152 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3b4s n SER 152 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 3b4s n SER 152 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17