#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s n ASP 63 N 0.00 1.90 0.00 0.00 8.00 -1.26 -5.15 116.55 120.04 3b4s n ASP 63 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3b4s n ASP 63 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 3b4s n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b4s n GLY 64 N 1.42 3.15 0.34 0.44 0.00 -1.26 -4.83 105.19 104.45 3b4s n GLY 64 Ca -0.35 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 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 1.11 0.13 1.61 9.65 -2.01 -2.75 114.38 122.12 3b4s h ARG 65 Ca 0.00 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 3b4s h ARG 65 Cb 0.00 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 3b4s h ARG 65 CO 0.00 0.90 -0.06 0.82 2.80 0.00 0.00 179.97 184.43 3b4s h ILE 66 N 1.09 1.00 -0.39 1.20 1.08 -2.05 -3.01 117.51 116.43 3b4s h ILE 66 Ca 0.25 -0.53 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 3b4s h ILE 66 Cb 0.19 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 3b4s h ILE 66 CO -0.02 0.13 0.04 0.15 -0.69 0.00 0.00 178.15 177.75 3b4s h PHE 67 N -0.42 0.63 0.00 1.37 3.57 -1.87 -2.69 116.94 117.53 3b4s h PHE 67 Ca -0.02 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3b4s h PHE 67 Cb 0.34 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3b4s h PHE 67 CO 0.01 0.58 0.00 1.17 -2.23 0.00 0.00 178.31 177.84 3b4s n LYS 68 N -4.28 0.03 0.00 1.11 4.81 -1.04 -0.09 118.16 118.69 3b4s n LYS 68 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3b4s n LYS 68 Cb 0.24 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.17 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 0.59 0.00 -0.32 5.64 -0.00 -1.01 -1.53 117.46 120.83 3b4s n PHE 70 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 3b4s n PHE 70 Cb 0.01 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 39.74 3b4s n PHE 70 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3b4s h ILE 71 N 0.00 0.12 -0.66 -2.13 1.08 -0.79 -1.99 117.51 113.14 3b4s h ILE 71 Ca 0.00 -0.02 0.19 0.00 -0.39 0.00 0.00 64.86 64.65 3b4s h ILE 71 Cb 0.00 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.79 3b4s h ILE 71 CO 0.00 0.01 0.80 -0.08 -0.69 0.00 0.00 178.15 178.19 3b4s h GLU 72 N 0.05 0.00 -0.03 2.37 4.57 -1.51 0.56 114.58 120.59 3b4s h GLU 72 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 3b4s h GLU 72 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3b4s h GLU 72 CO -0.85 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 177.70 3b4s n HIS 73 N -3.42 0.02 -4.81 0.92 8.25 -0.75 -4.92 115.22 110.52 3b4s n HIS 73 Ca 0.14 -0.01 -0.25 0.00 -0.26 0.00 0.00 57.72 57.34 3b4s n HIS 73 Cb 1.03 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.98 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 -1.92 1.98 -0.42 2.41 1.02 0.19 -4.60 118.68 117.33 3b4s s LEU 74 Ca 0.40 -0.32 -0.22 0.00 0.02 0.00 0.00 54.13 54.01 3b4s s LEU 74 Cb 0.20 -0.90 0.02 0.00 0.02 0.00 0.00 46.19 45.53 3b4s s LEU 74 CO 0.33 0.18 0.73 -0.70 0.02 0.00 0.00 176.35 176.91 3b4s s GLU 75 N -0.22 3.46 -0.12 1.70 -6.30 -1.26 -4.92 118.70 111.03 3b4s s GLU 75 Ca 0.02 -0.10 0.18 0.00 -2.50 0.00 0.00 54.97 52.58 3b4s s GLU 75 Cb -0.08 -3.91 -0.26 0.00 0.00 0.00 0.00 34.13 29.87 3b4s s GLU 75 CO 0.00 -1.00 0.22 1.19 0.02 0.00 0.00 175.26 175.69 3b4s n PHE 76 N 6.46 0.00 0.00 5.30 3.01 -1.26 -3.63 117.46 127.35 3b4s n PHE 76 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3b4s n PHE 76 Cb 0.48 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 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 -2.49 1.19 -0.62 -1.08 -0.58 -1.26 -4.43 120.64 111.37 3b4s n GLU 77 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 3b4s n GLU 77 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.74 3b4s n GLU 77 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3b4s n LYS 78 N 0.00 -1.06 0.00 3.49 4.81 -1.26 -4.77 118.16 119.37 3b4s n LYS 78 Ca 0.00 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3b4s n LYS 78 Cb 0.00 -4.20 0.00 0.00 0.02 0.00 0.00 35.03 30.85 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3b4s n GLY 79 N -0.24 1.29 0.06 3.14 0.00 -1.26 -4.52 105.19 103.66 3b4s n GLY 79 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 0.06 -0.32 0.99 5.85 -1.93 -2.39 115.31 117.57 3b4s h LEU 80 Ca 0.00 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.58 3b4s h LEU 80 Cb 0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3b4s h LEU 80 CO 0.00 0.22 0.13 0.44 -0.34 0.00 0.00 178.44 178.89 3b4s h ASP 81 N -0.10 0.18 -1.01 1.25 5.19 -1.98 -1.09 116.42 118.86 3b4s h ASP 81 Ca 0.01 0.02 0.26 0.00 -0.62 0.00 0.00 57.03 56.71 3b4s h ASP 81 Cb 0.18 -0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.56 3b4s h ASP 81 CO -0.00 0.14 0.60 0.00 -3.12 0.00 0.00 179.24 176.86 3b4s h ALA 82 N 1.19 1.85 0.42 3.45 0.00 -1.77 0.31 119.26 124.71 3b4s h ALA 82 Ca 0.14 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3b4s h ALA 82 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3b4s h ALA 82 CO -0.12 -0.34 -0.20 0.35 0.00 0.00 0.00 179.25 178.94 3b4s h PHE 83 N 0.53 -0.52 -0.36 0.00 3.04 -0.68 -1.38 116.94 117.57 3b4s h PHE 83 Ca 0.65 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.62 3b4s h PHE 83 Cb 1.31 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.96 3b4s h PHE 83 CO -0.01 -0.23 0.16 0.77 -2.02 0.00 0.00 178.31 176.98 3b4s h SER 84 N -0.74 0.22 -0.86 0.41 0.02 -0.60 0.31 113.55 112.31 3b4s h SER 84 Ca -0.06 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3b4s h SER 84 Cb 0.52 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 3b4s h SER 84 CO 0.09 0.16 -0.53 1.56 -1.14 0.00 0.00 176.83 176.98 3b4s h GLN 85 N 0.34 -0.03 -0.98 3.45 1.08 -0.50 0.52 115.11 118.99 3b4s h GLN 85 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3b4s h GLN 85 Cb 0.09 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3b4s h GLN 85 CO -0.13 -0.02 0.63 0.66 -0.95 0.00 0.00 178.83 179.02 3b4s h SER 86 N -0.03 1.15 0.45 1.46 4.64 -0.04 -1.49 113.55 119.69 3b4s h SER 86 Ca 0.14 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3b4s h SER 86 Cb 0.39 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3b4s h SER 86 CO -0.83 0.85 -0.22 -0.25 -0.87 0.00 0.00 176.83 175.52 3b4s h TRP 87 N 1.34 -0.56 -0.86 4.77 2.91 0.19 0.35 115.95 124.09 3b4s h TRP 87 Ca 0.36 -0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.54 3b4s h TRP 87 Cb -0.12 0.19 -0.11 0.00 -0.51 0.00 0.00 29.16 28.61 3b4s h TRP 87 CO 0.00 -0.35 0.40 0.82 -1.03 0.00 0.00 178.44 178.28 3b4s h ILE 88 N -0.61 0.61 -0.04 2.65 1.08 0.37 -1.14 117.51 120.43 3b4s h ILE 88 Ca -0.06 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 3b4s h ILE 88 Cb 0.47 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3b4s h ILE 88 CO 0.10 0.09 -0.03 0.50 -0.69 0.00 0.00 178.15 178.12 3b4s h LYS 89 N 0.51 0.10 -0.60 2.37 3.64 -0.93 -2.96 116.57 118.70 3b4s h LYS 89 Ca 0.50 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 60.00 3b4s h LYS 89 Cb 0.82 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3b4s h LYS 89 CO -0.44 0.54 0.43 0.00 -2.27 0.00 0.00 179.45 177.71 3b4s h ALA 90 N 0.56 2.52 0.00 5.00 0.00 0.53 -1.23 119.26 126.64 3b4s h ALA 90 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3b4s h ALA 90 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3b4s h ALA 90 CO 0.01 -0.70 0.00 1.25 0.00 0.00 0.00 179.25 179.81 3b4s h LEU 91 N 0.03 0.00 -2.92 0.00 5.85 -1.06 0.15 115.31 117.36 3b4s h LEU 91 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3b4s h LEU 91 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3b4s h LEU 91 CO -0.01 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.25 3b4s n GLU 92 N -2.93 3.15 -3.45 1.25 0.28 -0.46 -4.79 120.64 113.67 3b4s n GLU 92 Ca -0.02 -2.73 -0.37 0.00 -0.16 0.00 0.00 57.16 53.87 3b4s n GLU 92 Cb 0.08 -1.69 -0.07 0.00 1.43 0.00 0.00 31.44 31.19 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 -0.98 6.44 0.16 -1.84 -1.08 0.52 -4.99 116.67 114.90 3b4s s ASP 93 Ca 0.49 0.52 -0.17 0.00 -0.52 0.00 0.00 52.55 52.87 3b4s s ASP 93 Cb 0.28 -2.21 0.08 0.00 -1.46 0.00 0.00 42.92 39.61 3b4s s ASP 93 CO 0.29 0.01 1.69 0.28 0.52 0.00 0.00 175.17 177.96 3b4s h SER 94 N 7.05 -0.21 -0.98 -0.34 0.02 -1.88 -2.59 113.55 114.62 3b4s h SER 94 Ca -0.39 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3b4s h SER 94 Cb 1.16 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 3b4s h SER 94 CO 0.73 -0.06 0.64 -0.08 -1.14 0.00 0.00 176.83 176.92 3b4s h GLU 95 N 0.07 1.16 0.42 3.45 4.81 -1.94 -0.51 114.58 122.04 3b4s h GLU 95 Ca 0.17 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3b4s h GLU 95 Cb 0.25 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3b4s h GLU 95 CO -0.32 0.77 -0.20 0.35 -0.73 0.00 0.00 179.01 178.88 3b4s h PHE 96 N 1.20 -0.52 -0.81 0.92 3.57 -1.77 -2.59 116.94 116.94 3b4s h PHE 96 Ca 0.41 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.08 3b4s h PHE 96 Cb 0.08 0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.88 3b4s h PHE 96 CO -0.00 -0.20 0.24 1.25 -2.23 0.00 0.00 178.31 177.37 3b4s h LEU 97 N -0.88 0.08 0.08 0.59 7.12 -1.10 -0.74 115.31 120.46 3b4s h LEU 97 Ca -0.06 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 3b4s h LEU 97 Cb 0.56 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 3b4s h LEU 97 CO 0.09 -0.05 -0.04 0.00 -0.13 0.00 0.00 178.44 178.32 3b4s h ALA 98 N 1.67 -0.10 -0.96 1.25 0.00 -1.06 -1.30 119.26 118.76 3b4s h ALA 98 Ca 0.48 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.33 3b4s h ALA 98 Cb 0.86 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3b4s h ALA 98 CO -0.54 -0.48 0.63 0.82 0.00 0.00 0.00 179.25 179.68 3b4s h ILE 99 N -0.26 1.14 -0.66 0.00 2.04 -1.02 -0.48 117.51 118.26 3b4s h ILE 99 Ca -0.01 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3b4s h ILE 99 Cb 0.23 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 3b4s h ILE 99 CO 0.02 0.21 0.23 0.25 0.00 0.00 0.00 178.15 178.86 3b4s h LEU 100 N 1.18 0.94 -0.70 1.44 6.46 -1.04 0.10 115.31 123.69 3b4s h LEU 100 Ca 0.39 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3b4s h LEU 100 Cb 0.06 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 3b4s h LEU 100 CO -0.13 0.88 0.24 -0.09 -0.62 0.00 0.00 178.44 178.72 3b4s h ARG 101 N 0.94 1.08 -0.39 1.25 2.43 -0.15 0.35 114.38 119.88 3b4s h ARG 101 Ca 0.21 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3b4s h ARG 101 Cb 0.26 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3b4s h ARG 101 CO -0.01 0.92 0.22 -0.07 -1.51 0.00 0.00 179.97 179.52 3b4s h LEU 102 N 1.02 0.49 -0.79 3.80 3.38 -0.85 -0.35 115.31 122.01 3b4s h LEU 102 Ca 0.23 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3b4s h LEU 102 Cb 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3b4s h LEU 102 CO -0.01 0.43 0.52 -0.07 0.09 0.00 0.00 178.44 179.39 3b4s h LEU 103 N 0.51 0.88 -0.77 1.67 3.38 0.40 -1.86 115.31 119.52 3b4s h LEU 103 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3b4s h LEU 103 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3b4s h LEU 103 CO -0.02 0.63 0.31 -0.26 0.09 0.00 0.00 178.44 179.18 3b4s h PHE 104 N 1.04 1.17 -0.32 1.13 0.04 -0.09 -2.78 116.94 117.12 3b4s h PHE 104 Ca 0.30 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 3b4s h PHE 104 Cb -0.08 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.71 3b4s h PHE 104 CO -0.02 0.89 -0.21 1.25 -0.60 0.00 0.00 178.31 179.62 3b4s h HIS 105 N 1.11 0.68 0.03 -0.55 -0.00 -0.27 -0.48 115.15 115.66 3b4s h HIS 105 Ca 0.26 -0.14 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 3b4s h HIS 105 Cb 0.22 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 3b4s h HIS 105 CO 0.02 0.77 -0.26 1.25 -0.00 0.00 0.00 177.93 179.71 3b4s h HIS 106 N 0.54 -0.71 0.00 5.26 -0.00 -1.13 0.64 115.15 119.76 3b4s h HIS 106 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3b4s h HIS 106 Cb 0.66 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 3b4s h HIS 106 CO 0.03 -0.36 -0.13 0.44 -0.00 0.00 0.00 177.93 177.91 3b4s n ILE 107 N -5.38 0.40 0.07 6.26 -5.35 -0.82 -2.59 119.36 111.95 3b4s n ILE 107 Ca -0.05 -0.21 -0.18 0.00 -0.27 0.00 0.00 62.75 62.04 3b4s n ILE 107 Cb 0.29 -0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 37.60 3b4s n ILE 107 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3b4s h VAL 108 N 0.00 1.19 -0.57 7.28 2.07 -0.86 -3.38 116.25 121.98 3b4s h VAL 108 Ca 0.00 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3b4s h VAL 108 Cb 0.68 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3b4s h VAL 108 CO 0.00 0.83 0.00 0.35 0.02 0.00 0.00 177.57 178.77 3b4s n THR 109 N -3.49 0.75 -3.97 2.57 -2.24 0.20 -4.89 114.28 103.21 3b4s n THR 109 Ca -0.16 -0.85 -0.10 0.00 -2.27 0.00 0.00 64.05 60.67 3b4s n THR 109 Cb 1.05 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.22 -0.03 0.12 3.42 1.04 -1.07 -5.05 113.70 110.91 3b4s s SER 110 Ca 0.44 -0.90 0.08 0.00 0.48 0.00 0.00 55.95 56.05 3b4s s SER 110 Cb 0.24 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 3b4s s SER 110 CO 0.32 -0.99 -0.20 -0.70 0.98 0.00 0.00 173.24 172.65 3b4s s GLU 111 N -3.99 1.15 0.46 4.02 2.12 -1.26 -4.69 118.70 116.50 3b4s s GLU 111 Ca 0.20 -1.21 -0.22 0.00 0.36 0.00 0.00 54.97 54.10 3b4s s GLU 111 Cb 0.02 -1.35 -0.08 0.00 0.26 0.00 0.00 34.13 32.98 3b4s s GLU 111 CO 0.04 0.30 1.12 0.45 -0.54 0.00 0.00 175.26 176.63 3b4s s SER 112 N -2.08 6.25 0.22 -1.70 0.15 -1.26 -4.92 113.70 110.35 3b4s s SER 112 Ca 0.08 2.18 -0.09 0.00 0.70 0.00 0.00 55.95 58.82 3b4s s SER 112 Cb -0.09 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.81 3b4s s SER 112 CO 0.05 -0.86 1.89 0.00 1.20 0.00 0.00 173.24 175.52 3b4s h ALA 113 N 1.95 1.04 -0.99 5.45 0.00 -1.99 -1.88 119.26 122.83 3b4s h ALA 113 Ca -0.49 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.42 3b4s h ALA 113 Cb 1.24 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3b4s h ALA 113 CO 0.60 0.45 0.65 0.45 0.00 0.00 0.00 179.25 181.39 3b4s h HIS 114 N 1.11 1.19 -0.52 0.00 3.86 -2.00 -1.00 115.15 117.80 3b4s h HIS 114 Ca 0.30 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 3b4s h HIS 114 Cb -0.13 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 27.92 3b4s h HIS 114 CO -0.02 0.64 0.21 0.93 0.86 0.00 0.00 177.93 180.56 3b4s h GLU 115 N 1.19 0.77 0.20 2.45 4.39 -1.82 -3.21 114.58 118.55 3b4s h GLU 115 Ca 0.42 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3b4s h GLU 115 Cb 0.13 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3b4s h GLU 115 CO -0.16 0.68 -0.10 0.35 -1.16 0.00 0.00 179.01 178.62 3b4s h PHE 116 N 0.70 -0.25 -0.17 4.33 3.57 -0.83 -2.57 116.94 121.71 3b4s h PHE 116 Ca 0.17 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3b4s h PHE 116 Cb 0.19 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3b4s h PHE 116 CO 0.00 0.08 0.71 0.00 -2.23 0.00 0.00 178.31 176.87 3b4s h ALA 117 N 0.10 1.88 -0.51 2.41 0.00 -1.25 -1.70 119.26 120.18 3b4s h ALA 117 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3b4s h ALA 117 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3b4s h ALA 117 CO 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 179.25 178.51 3b4s n ALA 118 N -1.84 3.75 -1.11 0.00 0.00 -0.97 -4.92 120.51 115.43 3b4s n ALA 118 Ca 0.03 -1.69 -0.31 0.00 0.00 0.00 0.00 53.44 51.47 3b4s n ALA 118 Cb 0.78 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.68 3.87 0.13 0.00 4.22 -0.64 -4.89 114.94 116.94 3b4s s ASN 119 Ca 0.48 1.83 -0.14 0.00 -2.14 0.00 0.00 52.86 52.89 3b4s s ASN 119 Cb 0.37 -2.46 -0.01 0.00 1.28 0.00 0.00 41.25 40.42 3b4s s ASN 119 CO 0.14 -2.44 1.56 1.23 -2.04 0.00 0.00 177.10 175.55 3b4s h GLY 120 N -1.41 0.84 0.30 0.45 0.00 -1.94 -2.71 103.07 98.60 3b4s h GLY 120 Ca -0.45 -0.64 0.10 0.00 0.00 0.00 0.00 47.33 46.33 3b4s h GLY 120 CO 0.50 0.59 0.14 -2.22 0.00 0.00 0.00 176.54 175.55 3b4s h ILE 121 N 0.60 0.71 -0.53 2.60 1.08 -1.99 0.39 117.51 120.37 3b4s h ILE 121 Ca 0.12 -0.10 -0.12 0.00 -0.39 0.00 0.00 64.86 64.37 3b4s h ILE 121 Cb 0.54 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3b4s h ILE 121 CO 0.03 0.05 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.64 3b4s h ASP 122 N 0.29 1.02 -0.47 1.72 1.82 -1.92 -0.12 116.42 118.77 3b4s h ASP 122 Ca 0.29 -0.36 0.09 0.00 -0.39 0.00 0.00 57.03 56.66 3b4s h ASP 122 Cb 0.39 -0.28 -0.09 0.00 0.68 0.00 0.00 39.33 40.03 3b4s h ASP 122 CO -0.35 1.14 -0.15 0.03 -1.61 0.00 0.00 179.24 178.30 3b4s h ARG 123 N 0.89 -0.04 -0.35 0.28 3.08 -0.98 -1.75 114.38 115.51 3b4s h ARG 123 Ca 0.13 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3b4s h ARG 123 Cb 0.69 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3b4s h ARG 123 CO 0.05 -0.03 0.16 1.25 -1.07 0.00 0.00 179.97 180.33 3b4s h LEU 124 N -0.04 0.23 -1.02 3.04 6.46 0.31 -1.82 115.31 122.46 3b4s h LEU 124 Ca 0.22 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 3b4s h LEU 124 Cb 0.39 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 3b4s h LEU 124 CO -0.50 0.17 0.66 0.22 -0.62 0.00 0.00 178.44 178.36 3b4s h TYR 125 N 0.34 1.23 0.00 1.25 3.20 -0.58 -0.64 116.97 121.77 3b4s h TYR 125 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3b4s h TYR 125 Cb 0.07 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 37.93 3b4s h TYR 125 CO -0.11 0.72 0.00 1.63 -1.64 0.00 0.00 178.16 178.77 3b4s n LYS 126 N -4.43 0.84 0.00 1.82 5.02 -0.69 -1.46 118.16 119.26 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 0.08 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.73 0.00 0.19 -0.18 0.31 -0.25 -1.38 118.33 117.76 3b4s n VAL 128 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 3b4s n VAL 128 Cb 0.42 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.44 -1.00 5.55 4.81 -1.50 0.48 114.58 122.47 3b4s h GLU 129 Ca 0.00 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.48 3b4s h GLU 129 Cb 0.00 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.38 3b4s h GLU 129 CO 0.00 -0.21 0.62 1.03 -0.73 0.00 0.00 179.01 179.72 3b4s h SER 130 N -0.61 0.66 0.22 1.04 0.87 -1.49 1.56 113.55 115.80 3b4s h SER 130 Ca -0.05 0.10 -0.35 0.00 -1.23 0.00 0.00 61.79 60.26 3b4s h SER 130 Cb 0.44 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3b4s h SER 130 CO 0.08 0.18 -1.75 -0.61 -0.53 0.00 0.00 176.83 174.20 3b4s h GLN 131 N 0.61 0.37 0.00 2.24 5.75 -1.69 -3.41 115.11 118.99 3b4s h GLN 131 Ca 0.59 -0.63 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3b4s h GLN 131 Cb 1.13 0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.92 3b4s h GLN 131 CO -0.37 1.29 0.00 1.19 -2.65 0.00 0.00 178.83 178.28 3b4s n PHE 132 N -3.57 0.00 -3.92 3.99 3.72 0.16 -5.08 117.46 112.77 3b4s n PHE 132 Ca -0.24 -0.10 0.03 0.00 -0.05 0.00 0.00 57.45 57.08 3b4s n PHE 132 Cb 1.07 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.10 -1.47 0.27 1.37 0.00 0.53 -2.36 105.19 103.42 3b4s n GLY 133 Ca 0.00 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.18 0.00 -0.54 1.61 4.64 -1.94 0.02 113.55 117.17 3b4s h SER 134 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3b4s h SER 134 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 3b4s h SER 134 CO 0.00 0.08 0.18 1.23 -0.87 0.00 0.00 176.83 177.45 3b4s h GLY 135 N 0.47 0.72 1.22 -0.77 0.00 -1.97 0.36 103.07 103.09 3b4s h GLY 135 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3b4s h GLY 135 CO 0.01 -0.02 -0.00 -1.33 0.00 0.00 0.00 176.54 175.20 3b4s h GLY 136 N 0.34 1.02 0.43 4.60 0.00 -0.62 -2.54 103.07 106.30 3b4s h GLY 136 Ca 0.27 -0.72 0.07 0.00 0.00 0.00 0.00 47.33 46.95 3b4s h GLY 136 CO -0.29 0.66 0.07 -0.55 0.00 0.00 0.00 176.54 176.44 3b4s h ASP 137 N 0.87 -0.03 0.11 0.19 3.45 -0.79 0.23 116.42 120.46 3b4s h ASP 137 Ca 0.16 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.67 3b4s h ASP 137 Cb 0.51 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 3b4s h ASP 137 CO 0.03 0.02 -0.13 0.50 -1.57 0.00 0.00 179.24 178.09 3b4s h LYS 138 N 0.20 0.04 0.18 3.56 3.11 -0.74 0.18 116.57 123.09 3b4s h LYS 138 Ca 0.21 -0.01 -0.26 0.00 -2.81 0.00 0.00 60.65 57.79 3b4s h LYS 138 Cb 0.27 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.52 3b4s h LYS 138 CO -0.29 0.17 -1.18 1.49 -2.81 0.00 0.00 179.45 176.83 3b4s h GLU 139 N 0.04 0.37 -0.58 1.90 4.57 -0.89 -2.71 114.58 117.28 3b4s h GLU 139 Ca 0.01 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3b4s h GLU 139 Cb 0.25 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3b4s h GLU 139 CO 0.02 1.30 0.37 1.25 -1.18 0.00 0.00 179.01 180.77 3b4s h LEU 140 N -0.17 0.67 -0.30 1.64 7.12 -0.16 0.31 115.31 124.42 3b4s h LEU 140 Ca -0.22 -0.03 0.06 0.00 0.13 0.00 0.00 57.88 57.82 3b4s h LEU 140 Cb 1.85 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 41.76 3b4s h LEU 140 CO 0.18 0.49 -0.03 -0.33 -0.13 0.00 0.00 178.44 178.62 3b4s h GLU 141 N 0.78 0.04 0.16 1.25 5.08 -0.72 0.40 114.58 121.57 3b4s h GLU 141 Ca 0.21 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3b4s h GLU 141 Cb -0.07 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3b4s h GLU 141 CO -0.04 0.03 -0.31 2.35 -1.00 0.00 0.00 179.01 180.04 3b4s h TRP 142 N 0.05 -0.84 -0.17 4.33 7.01 -1.02 -1.89 115.95 123.42 3b4s h TRP 142 Ca 0.15 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.21 3b4s h TRP 142 Cb 0.21 0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 27.55 3b4s h TRP 142 CO -0.25 -0.42 -0.23 -0.07 -2.79 0.00 0.00 178.44 174.68 3b4s h LEU 143 N -0.55 -0.72 -0.80 0.65 3.38 -0.19 0.01 115.31 117.08 3b4s h LEU 143 Ca 0.02 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.30 3b4s h LEU 143 Cb 0.57 0.33 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 3b4s h LEU 143 CO -0.15 -0.28 0.25 0.40 0.09 0.00 0.00 178.44 178.75 3b4s h ILE 144 N -0.27 0.49 0.47 1.22 2.04 0.03 -0.24 117.51 121.25 3b4s h ILE 144 Ca 0.11 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3b4s h ILE 144 Cb 0.44 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3b4s h ILE 144 CO -0.33 0.06 -0.23 1.23 0.00 0.00 0.00 178.15 178.88 3b4s h GLY 145 N 0.32 -0.66 -0.09 5.37 0.00 -0.40 -1.10 103.07 106.51 3b4s h GLY 145 Ca 0.47 0.25 0.17 0.00 0.00 0.00 0.00 47.33 48.21 3b4s h GLY 145 CO -0.52 -0.24 0.20 -0.09 0.00 0.00 0.00 176.54 175.89 3b4s h ARG 146 N -0.65 0.28 -0.03 4.80 2.43 -0.02 -1.03 114.38 120.16 3b4s h ARG 146 Ca -0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3b4s h ARG 146 Cb 0.49 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3b4s h ARG 146 CO 0.11 0.19 0.02 0.77 -1.51 0.00 0.00 179.97 179.54 3b4s h SER 147 N 0.29 0.04 -0.94 -3.80 0.02 -0.74 0.83 113.55 109.25 3b4s h SER 147 Ca 0.43 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3b4s h SER 147 Cb 0.74 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 3b4s h SER 147 CO -0.51 0.06 0.58 0.25 -1.14 0.00 0.00 176.83 176.06 3b4s h LEU 148 N 0.02 1.12 0.49 5.07 7.12 -0.55 -2.20 115.31 126.37 3b4s h LEU 148 Ca 0.01 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 3b4s h LEU 148 Cb 0.02 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 39.88 3b4s h LEU 148 CO -0.00 0.85 -0.24 0.40 -0.13 0.00 0.00 178.44 179.32 3b4s h ILE 149 N 1.29 0.50 0.00 4.05 1.08 -1.06 -3.08 117.51 120.30 3b4s h ILE 149 Ca 0.34 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 3b4s h ILE 149 Cb -0.08 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 3b4s h ILE 149 CO -0.07 0.03 0.00 1.67 -0.69 0.00 0.00 178.15 179.09 3b4s n GLN 150 N -5.34 0.00 0.00 2.37 7.27 0.27 -2.31 117.38 119.64 3b4s n GLN 150 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 3b4s n GLN 150 Cb 0.29 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 31.95 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 1.26 0.00 0.00 1.69 3.41 -1.17 -5.09 113.62 113.73 3b4s n SER 152 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3b4s n SER 152 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 3b4s n SER 152 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05