#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 3.46 0.09 6.12 0.00 -1.26 -4.87 105.19 108.73 3b4s n GLY 64 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 -0.08 -0.00 1.61 9.65 -2.09 -2.00 114.38 121.46 3b4s h ARG 65 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3b4s h ARG 65 Cb 0.00 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3b4s h ARG 65 CO 0.00 -0.05 0.00 0.82 2.80 0.00 0.00 179.97 183.54 3b4s h ILE 66 N -0.08 1.01 -0.94 1.20 1.08 -2.05 -2.34 117.51 115.39 3b4s h ILE 66 Ca 0.02 -0.04 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 3b4s h ILE 66 Cb 0.10 1.03 -0.08 0.00 -3.07 0.00 0.00 36.82 34.81 3b4s h ILE 66 CO -0.04 0.01 0.60 0.15 -0.69 0.00 0.00 178.15 178.18 3b4s h PHE 67 N -0.01 0.88 0.00 1.37 3.57 -1.87 -2.09 116.94 118.79 3b4s h PHE 67 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b4s h PHE 67 Cb 0.02 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3b4s h PHE 67 CO -0.07 0.29 0.00 1.63 -2.23 0.00 0.00 178.31 177.92 3b4s n LYS 68 N -4.61 0.41 0.00 1.11 5.02 -0.76 -0.95 118.16 118.39 3b4s n LYS 68 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3b4s n LYS 68 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 0.68 0.00 0.28 2.13 -0.00 -0.79 -2.15 117.46 117.60 3b4s n PHE 70 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 3b4s n PHE 70 Cb 0.18 0.00 0.81 0.00 -0.00 0.00 0.00 39.48 40.47 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 0.49 0.00 -2.13 -2.65 -1.33 -2.34 117.51 109.55 3b4s h ILE 71 Ca 0.00 -0.36 0.00 0.00 1.03 0.00 0.00 64.86 65.53 3b4s h ILE 71 Cb 0.00 1.24 0.00 0.00 -2.05 0.00 0.00 36.82 36.01 3b4s h ILE 71 CO 0.00 0.07 0.00 -1.84 0.03 0.00 0.00 178.15 176.41 3b4s n GLU 72 N -3.62 0.01 0.00 0.16 0.28 -0.92 -0.53 120.64 116.02 3b4s n GLU 72 Ca -0.02 0.31 0.12 0.00 -0.16 0.00 0.00 57.16 57.42 3b4s n GLU 72 Cb 0.19 -1.52 0.71 0.00 1.43 0.00 0.00 31.44 32.25 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 -1.53 0.00 -4.96 -1.84 8.25 -0.88 -4.87 115.22 109.40 3b4s n HIS 73 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 3b4s n HIS 73 Cb 0.13 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.16 1.95 -0.31 2.41 1.02 0.31 -4.60 118.68 117.30 3b4s s LEU 74 Ca 0.33 -0.41 -0.14 0.00 0.02 0.00 0.00 54.13 53.93 3b4s s LEU 74 Cb 0.17 -1.10 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 3b4s s LEU 74 CO 0.31 0.17 0.34 -0.70 0.02 0.00 0.00 176.35 176.48 3b4s s GLU 75 N 0.06 3.78 0.00 1.70 2.56 -1.26 -4.92 118.70 120.62 3b4s s GLU 75 Ca -0.06 -0.25 0.16 0.00 0.00 0.00 0.00 54.97 54.82 3b4s s GLU 75 Cb -0.13 -3.73 0.05 0.00 2.00 0.00 0.00 34.13 32.32 3b4s s GLU 75 CO 0.03 -0.38 0.92 1.19 -0.56 0.00 0.00 175.26 176.47 3b4s n PHE 76 N 5.31 0.00 0.35 5.30 3.01 -1.26 -3.17 117.46 127.00 3b4s n PHE 76 Ca -0.10 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.46 3b4s n PHE 76 Cb 0.50 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.31 2.14 -2.72 -1.08 -0.58 -1.26 -4.71 120.64 112.74 3b4s n GLU 77 Ca 0.08 -1.99 -0.11 0.00 -0.42 0.00 0.00 57.16 54.71 3b4s n GLU 77 Cb 0.37 -1.41 0.02 0.00 -0.57 0.00 0.00 31.44 29.85 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 1.17 1.28 -0.40 3.49 5.02 -1.26 -5.12 118.16 122.34 3b4s n LYS 78 Ca 0.15 -3.36 0.05 0.00 -2.02 0.00 0.00 58.31 53.13 3b4s n LYS 78 Cb 0.52 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.04 -2.42 0.29 0.72 0.00 -1.26 -3.69 105.19 98.78 3b4s n GLY 79 Ca 0.13 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.39 0.33 0.03 0.99 6.46 -1.96 -3.09 115.31 117.68 3b4s h LEU 80 Ca -0.04 -0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.49 3b4s h LEU 80 Cb 0.38 -0.08 0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3b4s h LEU 80 CO 0.02 0.27 -0.88 0.44 -0.62 0.00 0.00 178.44 177.66 3b4s h ASP 81 N 0.38 0.73 -0.68 1.25 5.19 -1.97 0.26 116.42 121.58 3b4s h ASP 81 Ca 0.10 -0.77 0.15 0.00 -0.62 0.00 0.00 57.03 55.88 3b4s h ASP 81 Cb 0.01 -0.22 -0.11 0.00 0.18 0.00 0.00 39.33 39.18 3b4s h ASP 81 CO -0.02 1.41 0.02 0.00 -3.12 0.00 0.00 179.24 177.53 3b4s h ALA 82 N 0.33 0.70 -0.10 3.45 0.00 -1.62 0.34 119.26 122.37 3b4s h ALA 82 Ca -0.12 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3b4s h ALA 82 Cb 1.57 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3b4s h ALA 82 CO 0.17 -0.40 0.05 0.35 0.00 0.00 0.00 179.25 179.42 3b4s h PHE 83 N 0.13 0.15 -0.21 0.00 3.04 -1.36 -0.22 116.94 118.46 3b4s h PHE 83 Ca 0.36 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.34 3b4s h PHE 83 Cb 0.61 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.04 3b4s h PHE 83 CO -0.38 0.22 -0.01 1.03 -2.02 0.00 0.00 178.31 177.15 3b4s h SER 84 N 0.03 -0.11 -0.14 0.41 0.87 0.49 0.35 113.55 115.45 3b4s h SER 84 Ca 0.03 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3b4s h SER 84 Cb 0.13 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3b4s h SER 84 CO -0.00 -0.03 0.09 -0.61 -0.53 0.00 0.00 176.83 175.75 3b4s h GLN 85 N 0.05 0.18 0.00 2.24 5.75 -0.27 -1.94 115.11 121.12 3b4s h GLN 85 Ca 0.10 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3b4s h GLN 85 Cb 0.13 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3b4s h GLN 85 CO -0.18 0.12 -0.14 0.66 -2.65 0.00 0.00 178.83 176.64 3b4s h SER 86 N 0.19 0.00 -0.24 -0.69 4.64 -0.62 0.35 113.55 117.17 3b4s h SER 86 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3b4s h SER 86 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3b4s h SER 86 CO -0.01 0.14 0.01 -0.25 -0.87 0.00 0.00 176.83 175.86 3b4s h TRP 87 N 0.00 0.45 -0.39 4.77 2.91 -0.68 -0.88 115.95 122.13 3b4s h TRP 87 Ca -0.00 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.91 3b4s h TRP 87 Cb 0.31 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 3b4s h TRP 87 CO 0.00 0.57 0.12 0.82 -1.03 0.00 0.00 178.44 178.92 3b4s h ILE 88 N 0.20 1.22 -0.41 2.65 1.08 0.29 -0.45 117.51 122.08 3b4s h ILE 88 Ca 0.07 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 3b4s h ILE 88 Cb 0.38 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3b4s h ILE 88 CO 0.01 0.25 0.17 0.50 -0.69 0.00 0.00 178.15 178.39 3b4s h LYS 89 N 0.49 0.62 0.00 2.37 3.64 -0.61 -2.55 116.57 120.53 3b4s h LYS 89 Ca 0.13 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3b4s h LYS 89 Cb 0.26 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3b4s h LYS 89 CO -0.00 0.57 -0.04 0.00 -2.27 0.00 0.00 179.45 177.70 3b4s h ALA 90 N 1.02 1.39 -0.53 5.00 0.00 -0.44 -2.31 119.26 123.38 3b4s h ALA 90 Ca 0.14 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.69 3b4s h ALA 90 Cb 0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 3b4s h ALA 90 CO -0.01 0.05 0.41 1.47 0.00 0.00 0.00 179.25 181.17 3b4s n LEU 91 N -3.70 5.77 -0.24 0.00 -0.00 -0.24 -2.24 117.00 116.35 3b4s n LEU 91 Ca -0.03 -3.00 0.00 0.00 -0.00 0.00 0.00 56.01 52.98 3b4s n LEU 91 Cb 0.14 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 42.70 3b4s n LEU 91 CO 0.28 1.01 0.25 -1.84 -0.00 0.00 0.00 177.39 177.09 3b4s n GLU 92 N -0.10 0.00 -3.51 1.47 0.28 -0.87 -4.93 120.64 112.98 3b4s n GLU 92 Ca 0.33 -0.71 -0.42 0.00 -0.16 0.00 0.00 57.16 56.20 3b4s n GLU 92 Cb 0.87 -0.48 -0.09 0.00 1.43 0.00 0.00 31.44 33.17 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 -0.46 5.84 0.00 -1.84 2.15 -0.95 -4.98 116.67 116.43 3b4s s ASP 93 Ca 0.00 -1.49 0.02 0.00 0.43 0.00 0.00 52.55 51.50 3b4s s ASP 93 Cb 0.00 -2.07 0.09 0.00 -0.30 0.00 0.00 42.92 40.65 3b4s s ASP 93 CO 0.00 -0.60 0.36 -1.54 -0.17 0.00 0.00 175.17 173.21 3b4s n SER 94 N 5.03 0.00 0.13 -0.34 3.41 -1.26 -1.77 113.62 118.82 3b4s n SER 94 Ca -0.11 -0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.24 3b4s n SER 94 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3b4s n SER 94 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3b4s h GLU 95 N 0.00 -0.40 -0.84 4.33 4.81 -1.94 -2.35 114.58 118.20 3b4s h GLU 95 Ca 0.00 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.44 3b4s h GLU 95 Cb 0.00 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 29.32 3b4s h GLU 95 CO 0.00 -0.27 -0.11 0.35 -0.73 0.00 0.00 179.01 178.25 3b4s h PHE 96 N -1.11 -0.27 0.16 0.92 3.57 -1.62 0.21 116.94 118.79 3b4s h PHE 96 Ca -0.04 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b4s h PHE 96 Cb 0.32 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3b4s h PHE 96 CO 0.00 -0.34 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.55 3b4s h LEU 97 N 0.03 -0.31 -0.77 0.59 3.38 -1.62 0.25 115.31 116.86 3b4s h LEU 97 Ca 0.44 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 3b4s h LEU 97 Cb 0.74 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3b4s h LEU 97 CO -0.82 -0.19 0.27 0.00 0.09 0.00 0.00 178.44 177.79 3b4s h ALA 98 N 0.54 1.00 -0.84 1.53 0.00 -0.76 -1.01 119.26 119.72 3b4s h ALA 98 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3b4s h ALA 98 Cb 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3b4s h ALA 98 CO -0.01 0.66 0.39 0.82 0.00 0.00 0.00 179.25 181.11 3b4s h ILE 99 N 1.13 1.26 -0.08 0.00 2.04 -0.38 -2.40 117.51 119.09 3b4s h ILE 99 Ca 0.25 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3b4s h ILE 99 Cb 0.27 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3b4s h ILE 99 CO -0.01 0.32 0.02 0.25 0.00 0.00 0.00 178.15 178.73 3b4s h LEU 100 N 1.20 0.11 -2.01 1.44 6.46 0.37 -0.50 115.31 122.39 3b4s h LEU 100 Ca 0.29 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3b4s h LEU 100 Cb 0.14 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3b4s h LEU 100 CO -0.03 0.28 0.01 0.08 -0.62 0.00 0.00 178.44 178.15 3b4s h ARG 101 N -0.07 0.00 -0.23 1.25 0.11 -1.13 0.90 114.38 115.22 3b4s h ARG 101 Ca 0.02 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 3b4s h ARG 101 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 3b4s h ARG 101 CO -0.00 0.00 0.02 1.25 0.10 0.00 0.00 179.97 181.33 3b4s h LEU 102 N 0.00 0.39 -1.44 0.08 7.12 -0.68 0.40 115.31 121.18 3b4s h LEU 102 Ca 0.01 -0.29 -0.04 0.00 0.13 0.00 0.00 57.88 57.68 3b4s h LEU 102 Cb 0.02 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 3b4s h LEU 102 CO -0.00 0.58 -0.08 -0.07 -0.13 0.00 0.00 178.44 178.75 3b4s h LEU 103 N 0.19 0.25 0.41 2.25 3.38 0.14 -2.30 115.31 119.63 3b4s h LEU 103 Ca 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3b4s h LEU 103 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3b4s h LEU 103 CO 0.01 0.37 -0.19 -0.26 0.09 0.00 0.00 178.44 178.45 3b4s h PHE 104 N 0.26 -0.51 -0.79 1.13 0.04 -0.12 -3.23 116.94 113.73 3b4s h PHE 104 Ca 0.06 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.98 3b4s h PHE 104 Cb 0.31 0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 3b4s h PHE 104 CO 0.01 -0.19 0.53 1.25 -0.60 0.00 0.00 178.31 179.30 3b4s h HIS 105 N -0.99 0.48 0.11 -0.55 2.76 -0.18 0.23 115.15 117.01 3b4s h HIS 105 Ca -0.06 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3b4s h HIS 105 Cb 0.54 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.30 3b4s h HIS 105 CO 0.02 0.17 -0.43 1.25 -1.30 0.00 0.00 177.93 177.64 3b4s h HIS 106 N 0.40 -1.21 0.00 5.26 6.17 -1.43 -1.76 115.15 122.58 3b4s h HIS 106 Ca 0.39 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.50 3b4s h HIS 106 Cb 0.94 0.52 0.00 0.00 2.52 0.00 0.00 27.41 31.39 3b4s h HIS 106 CO -0.00 -0.52 0.00 -0.84 0.71 0.00 0.00 177.93 177.27 3b4s h ILE 107 N -0.66 0.00 0.03 6.26 3.07 -0.64 -2.13 117.51 123.45 3b4s h ILE 107 Ca 0.02 -0.72 -0.21 0.00 1.55 0.00 0.00 64.86 65.50 3b4s h ILE 107 Cb 0.69 1.71 0.02 0.00 -0.27 0.00 0.00 36.82 38.97 3b4s h ILE 107 CO -0.25 0.00 -0.85 0.58 -1.05 0.00 0.00 178.15 176.58 3b4s h VAL 108 N 0.00 1.37 -0.01 0.16 2.07 -1.07 -3.34 116.25 115.42 3b4s h VAL 108 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3b4s h VAL 108 Cb 0.85 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3b4s h VAL 108 CO 0.00 0.66 -0.36 0.35 0.02 0.00 0.00 177.57 178.24 3b4s n THR 109 N -4.04 0.00 -4.49 2.57 -2.24 -0.67 -4.88 114.28 100.53 3b4s n THR 109 Ca -0.11 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 3b4s n THR 109 Cb 0.80 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 3b4s n THR 109 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3b4s n SER 110 N -0.44 2.96 -3.83 3.42 2.88 -0.81 -5.08 113.62 112.73 3b4s n SER 110 Ca 0.11 -2.58 -0.12 0.00 -1.33 0.00 0.00 58.87 54.95 3b4s n SER 110 Cb 0.39 0.23 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 3b4s n SER 110 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3b4s s GLU 111 N -3.34 0.52 0.20 -1.46 2.12 -1.26 -4.84 118.70 110.64 3b4s s GLU 111 Ca 0.02 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 3b4s s GLU 111 Cb -0.00 0.23 -0.09 0.00 0.26 0.00 0.00 34.13 34.52 3b4s s GLU 111 CO 0.01 -0.13 1.37 0.45 -0.54 0.00 0.00 175.26 176.43 3b4s s SER 112 N -1.20 6.79 0.14 -1.70 0.15 -1.26 -4.93 113.70 111.69 3b4s s SER 112 Ca -0.13 2.49 -0.27 0.00 0.70 0.00 0.00 55.95 58.75 3b4s s SER 112 Cb -0.06 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 3b4s s SER 112 CO 0.02 -0.61 1.60 0.00 1.20 0.00 0.00 173.24 175.45 3b4s h ALA 113 N 5.50 -0.42 -0.84 5.45 0.00 -2.00 -1.80 119.26 125.15 3b4s h ALA 113 Ca -0.45 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.65 3b4s h ALA 113 Cb 1.21 0.67 -0.16 0.00 0.00 0.00 0.00 17.79 19.52 3b4s h ALA 113 CO 0.79 -0.83 -0.25 1.25 0.00 0.00 0.00 179.25 180.21 3b4s h HIS 114 N -0.41 -0.58 0.00 0.00 -0.00 -2.00 -1.42 115.15 110.74 3b4s h HIS 114 Ca 0.10 0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 3b4s h HIS 114 Cb 0.57 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 3b4s h HIS 114 CO -0.44 -0.37 -0.28 1.05 -0.00 0.00 0.00 177.93 177.89 3b4s h GLU 115 N -0.02 0.00 -0.53 5.26 4.11 -1.87 -2.96 114.58 118.57 3b4s h GLU 115 Ca 0.38 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.71 3b4s h GLU 115 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3b4s h GLU 115 CO -0.87 0.25 -0.06 0.35 0.07 0.00 0.00 179.01 178.75 3b4s h PHE 116 N 0.00 1.09 -0.63 2.06 3.57 -0.52 -3.06 116.94 119.44 3b4s h PHE 116 Ca -0.00 -0.21 0.12 0.00 3.53 0.00 0.00 57.97 61.41 3b4s h PHE 116 Cb 1.20 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3b4s h PHE 116 CO 0.00 1.01 0.43 0.00 -2.23 0.00 0.00 178.31 177.51 3b4s h ALA 117 N 0.93 2.11 -0.32 2.41 0.00 -1.12 -1.80 119.26 121.47 3b4s h ALA 117 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3b4s h ALA 117 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3b4s h ALA 117 CO 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.08 3b4s n ALA 118 N -2.54 3.35 -1.40 0.00 0.00 -1.16 -4.94 120.51 113.83 3b4s n ALA 118 Ca 0.11 -1.03 -0.34 0.00 0.00 0.00 0.00 53.44 52.18 3b4s n ALA 118 Cb 0.45 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.33 4.48 0.11 0.00 2.20 -0.68 -4.91 114.94 115.82 3b4s s ASN 119 Ca 0.27 2.23 -0.15 0.00 -0.94 0.00 0.00 52.86 54.27 3b4s s ASN 119 Cb 0.21 -2.58 -0.04 0.00 -2.00 0.00 0.00 41.25 36.85 3b4s s ASN 119 CO 0.07 -2.06 1.55 1.23 -2.94 0.00 0.00 177.10 174.95 3b4s h GLY 120 N -0.20 0.72 0.21 0.45 0.00 -1.92 -3.04 103.07 99.28 3b4s h GLY 120 Ca -0.47 -0.55 0.11 0.00 0.00 0.00 0.00 47.33 46.42 3b4s h GLY 120 CO 0.51 0.50 0.14 -2.22 0.00 0.00 0.00 176.54 175.47 3b4s h ILE 121 N 0.47 0.66 -0.53 2.60 1.08 -1.99 0.14 117.51 119.94 3b4s h ILE 121 Ca 0.10 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3b4s h ILE 121 Cb 0.50 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 3b4s h ILE 121 CO 0.02 0.05 0.32 -0.78 -0.69 0.00 0.00 178.15 177.07 3b4s h ASP 122 N 0.28 0.63 -0.14 1.72 1.82 -1.92 -0.52 116.42 118.29 3b4s h ASP 122 Ca 0.31 -0.05 0.04 0.00 -0.39 0.00 0.00 57.03 56.94 3b4s h ASP 122 Cb 0.45 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.26 3b4s h ASP 122 CO -0.39 0.50 -0.12 -0.09 -1.61 0.00 0.00 179.24 177.53 3b4s h ARG 123 N 0.71 -0.13 -0.92 0.28 2.43 -0.96 -0.50 114.38 115.28 3b4s h ARG 123 Ca 0.19 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.63 3b4s h ARG 123 Cb -0.02 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.42 3b4s h ARG 123 CO -0.04 -0.09 0.34 1.25 -1.51 0.00 0.00 179.97 179.93 3b4s h LEU 124 N -0.14 0.17 0.03 3.80 6.46 -0.56 -2.33 115.31 122.74 3b4s h LEU 124 Ca 0.09 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 3b4s h LEU 124 Cb 0.27 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3b4s h LEU 124 CO -0.22 -0.15 -0.01 0.22 -0.62 0.00 0.00 178.44 177.66 3b4s h TYR 125 N 0.25 -0.04 0.00 1.25 3.20 0.49 -1.18 116.97 120.94 3b4s h TYR 125 Ca 0.61 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.48 3b4s h TYR 125 Cb 1.30 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3b4s h TYR 125 CO -0.18 0.29 0.00 1.63 -1.64 0.00 0.00 178.16 178.26 3b4s n LYS 126 N -4.95 0.42 0.00 1.82 5.02 -0.68 -0.99 118.16 118.80 3b4s n LYS 126 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3b4s n LYS 126 Cb 0.18 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.78 0.00 0.07 -0.18 0.31 -0.45 -0.50 118.33 118.36 3b4s n VAL 128 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3b4s n VAL 128 Cb 0.21 0.00 -0.09 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 -0.16 -0.96 5.55 4.81 -1.27 0.27 114.58 122.82 3b4s h GLU 129 Ca 0.00 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.53 3b4s h GLU 129 Cb 0.00 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.25 3b4s h GLU 129 CO 0.00 0.15 0.22 1.03 -0.73 0.00 0.00 179.01 179.68 3b4s h SER 130 N -0.48 -0.13 0.07 1.04 0.87 -1.06 0.68 113.55 114.54 3b4s h SER 130 Ca -0.02 0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 3b4s h SER 130 Cb 0.39 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3b4s h SER 130 CO 0.03 -0.30 -0.72 -0.61 -0.53 0.00 0.00 176.83 174.69 3b4s h GLN 131 N 0.08 0.14 0.00 2.24 5.75 -1.78 -3.42 115.11 118.13 3b4s h GLN 131 Ca 0.64 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 3b4s h GLN 131 Cb 1.42 0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.06 3b4s h GLN 131 CO -0.80 1.12 0.00 1.19 -2.65 0.00 0.00 178.83 177.69 3b4s n PHE 132 N -4.29 0.00 -4.01 3.99 3.72 0.07 -5.09 117.46 111.84 3b4s n PHE 132 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3b4s n PHE 132 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.46 0.15 1.37 0.00 0.24 -2.01 105.19 103.49 3b4s n GLY 133 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 0.02 0.00 -0.79 1.61 4.64 -1.93 -2.38 113.55 114.71 3b4s h SER 134 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3b4s h SER 134 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3b4s h SER 134 CO 0.00 0.48 0.46 1.23 -0.87 0.00 0.00 176.83 178.13 3b4s h GLY 135 N 2.94 1.20 1.09 -0.77 0.00 -1.97 -0.49 103.07 105.07 3b4s h GLY 135 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3b4s h GLY 135 CO 0.06 0.18 -0.19 -1.33 0.00 0.00 0.00 176.54 175.26 3b4s h GLY 136 N 0.81 1.05 0.03 4.60 0.00 -1.13 -2.48 103.07 105.95 3b4s h GLY 136 Ca 0.36 -0.92 0.08 0.00 0.00 0.00 0.00 47.33 46.85 3b4s h GLY 136 CO -0.21 0.84 -0.24 -0.55 0.00 0.00 0.00 176.54 176.38 3b4s h ASP 137 N 0.82 -0.79 -0.48 0.19 3.45 -0.84 0.23 116.42 119.00 3b4s h ASP 137 Ca 0.11 0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.76 3b4s h ASP 137 Cb 0.76 0.39 -0.04 0.00 -0.56 0.00 0.00 39.33 39.89 3b4s h ASP 137 CO 0.06 -0.27 0.27 0.50 -1.57 0.00 0.00 179.24 178.24 3b4s h LYS 138 N -0.19 0.53 -0.45 3.56 3.64 -1.05 -0.60 116.57 122.00 3b4s h LYS 138 Ca 0.17 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3b4s h LYS 138 Cb 0.46 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3b4s h LYS 138 CO -0.46 0.35 -0.18 1.49 -2.27 0.00 0.00 179.45 178.38 3b4s h GLU 139 N 0.54 0.88 -0.57 1.90 4.57 -0.94 -2.30 114.58 118.68 3b4s h GLU 139 Ca 0.20 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 3b4s h GLU 139 Cb 0.05 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3b4s h GLU 139 CO -0.11 0.99 -0.05 1.25 -1.18 0.00 0.00 179.01 179.91 3b4s h LEU 140 N 0.77 1.01 -0.41 1.64 6.46 -0.19 -1.52 115.31 123.07 3b4s h LEU 140 Ca 0.11 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.62 3b4s h LEU 140 Cb 0.71 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.32 3b4s h LEU 140 CO 0.05 1.09 0.13 -0.33 -0.62 0.00 0.00 178.44 178.77 3b4s h GLU 141 N 0.93 0.27 0.10 1.25 5.08 -0.93 -0.43 114.58 120.86 3b4s h GLU 141 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3b4s h GLU 141 Cb 0.61 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3b4s h GLU 141 CO 0.04 0.18 -0.20 2.35 -1.00 0.00 0.00 179.01 180.38 3b4s h TRP 142 N 0.28 -0.53 -0.68 4.33 7.01 -1.07 -0.55 115.95 124.74 3b4s h TRP 142 Ca 0.19 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.29 3b4s h TRP 142 Cb 0.19 0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 3b4s h TRP 142 CO -0.16 -0.29 0.33 -0.07 -2.79 0.00 0.00 178.44 175.46 3b4s h LEU 143 N -0.38 0.44 -0.24 0.65 3.38 -1.04 0.25 115.31 118.37 3b4s h LEU 143 Ca 0.03 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3b4s h LEU 143 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3b4s h LEU 143 CO -0.12 0.26 0.15 0.40 0.09 0.00 0.00 178.44 179.22 3b4s h ILE 144 N 0.58 1.04 -0.19 1.22 2.04 -0.88 0.34 117.51 121.66 3b4s h ILE 144 Ca 0.33 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.13 3b4s h ILE 144 Cb 0.33 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3b4s h ILE 144 CO -0.26 0.06 -0.08 1.23 0.00 0.00 0.00 178.15 179.10 3b4s h GLY 145 N 0.30 0.09 0.76 5.37 0.00 -0.05 -1.20 103.07 108.35 3b4s h GLY 145 Ca 0.09 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3b4s h GLY 145 CO -0.04 -0.10 0.33 -0.09 0.00 0.00 0.00 176.54 176.64 3b4s h ARG 146 N -0.05 0.62 -0.28 4.80 2.43 -0.21 -2.17 114.38 119.51 3b4s h ARG 146 Ca 0.10 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3b4s h ARG 146 Cb 0.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3b4s h ARG 146 CO -0.22 0.41 0.17 0.77 -1.51 0.00 0.00 179.97 179.59 3b4s h SER 147 N 0.64 0.29 -0.64 -3.80 0.02 -0.39 -0.22 113.55 109.45 3b4s h SER 147 Ca 0.25 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3b4s h SER 147 Cb 0.11 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3b4s h SER 147 CO -0.14 0.21 0.42 0.25 -1.14 0.00 0.00 176.83 176.42 3b4s h LEU 148 N 0.35 0.71 -0.42 5.07 7.12 -0.89 -2.60 115.31 124.65 3b4s h LEU 148 Ca 0.11 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 3b4s h LEU 148 Cb -0.02 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.92 3b4s h LEU 148 CO -0.04 0.50 0.12 0.40 -0.13 0.00 0.00 178.44 179.29 3b4s h ILE 149 N 0.84 1.22 0.00 4.05 2.04 -1.07 -2.22 117.51 122.38 3b4s h ILE 149 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3b4s h ILE 149 Cb -0.05 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3b4s h ILE 149 CO -0.07 0.27 0.00 1.67 0.00 0.00 0.00 178.15 180.02 3b4s n GLN 150 N -4.56 0.00 0.00 2.37 7.27 -0.12 -3.07 117.38 119.27 3b4s n GLN 150 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3b4s n GLN 150 Cb 0.20 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 31.53 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 1.06 0.00 0.00 1.69 3.41 -0.84 -5.10 113.62 113.84 3b4s n SER 152 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 3b4s n SER 152 Cb 0.00 0.00 0.94 0.00 -0.26 0.00 0.00 64.21 64.89 3b4s n SER 152 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17