#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 0.51 -0.75 1.61 2.43 -2.10 -3.31 114.38 112.78 3b4s h ARG 65 Ca 0.00 -0.88 0.15 0.00 -0.81 0.00 0.00 59.98 58.44 3b4s h ARG 65 Cb 0.00 0.33 -0.14 0.00 -0.42 0.00 0.00 29.97 29.74 3b4s h ARG 65 CO 0.00 1.42 -0.21 0.82 -1.51 0.00 0.00 179.97 180.49 3b4s h ILE 66 N 0.14 0.23 -0.38 1.20 2.04 -2.06 -1.57 117.51 117.11 3b4s h ILE 66 Ca -0.27 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3b4s h ILE 66 Cb 2.16 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3b4s h ILE 66 CO 0.26 0.00 0.22 0.15 0.00 0.00 0.00 178.15 178.78 3b4s h PHE 67 N -0.02 0.40 0.00 1.37 3.04 -2.04 0.12 116.94 119.82 3b4s h PHE 67 Ca 0.35 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.31 3b4s h PHE 67 Cb 0.56 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.94 3b4s h PHE 67 CO -0.61 0.23 0.00 1.63 -2.02 0.00 0.00 178.31 177.54 3b4s n LYS 68 N -4.89 0.00 0.00 1.11 5.02 -0.59 -1.49 118.16 117.32 3b4s n LYS 68 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3b4s n LYS 68 Cb 0.07 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.53 0.00 -0.29 2.13 7.35 0.43 -2.04 117.46 125.57 3b4s n PHE 70 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 3b4s n PHE 70 Cb 0.00 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.17 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 0.86 0.00 -2.13 1.08 -1.52 -2.58 117.51 113.21 3b4s h ILE 71 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3b4s h ILE 71 Cb 0.00 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 3b4s h ILE 71 CO 0.00 0.14 0.00 -0.62 -0.69 0.00 0.00 178.15 176.98 3b4s n GLU 72 N -4.57 0.24 0.05 2.37 1.02 -0.87 -1.36 120.64 117.52 3b4s n GLU 72 Ca 0.18 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.32 3b4s n GLU 72 Cb 0.44 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.22 3b4s n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3b4s h HIS 73 N 0.00 0.23 -3.36 -0.32 3.86 -1.77 -3.47 115.15 110.32 3b4s h HIS 73 Ca 0.00 -0.17 -0.55 0.00 -1.16 0.00 0.00 60.37 58.49 3b4s h HIS 73 Cb 0.15 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 3b4s h HIS 73 CO 0.00 1.18 -0.05 -0.51 0.86 0.00 0.00 177.93 179.41 3b4s s LEU 74 N -6.77 4.35 -0.60 2.43 1.43 -0.47 -4.72 118.68 114.33 3b4s s LEU 74 Ca -0.04 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 3b4s s LEU 74 Cb 0.08 -3.30 0.15 0.00 0.03 0.00 0.00 46.19 43.16 3b4s s LEU 74 CO 0.84 0.10 0.50 -0.70 0.23 0.00 0.00 176.35 177.33 3b4s s GLU 75 N -1.91 2.89 0.06 1.70 2.56 -1.26 -4.97 118.70 117.77 3b4s s GLU 75 Ca 0.38 -2.05 0.27 0.00 0.00 0.00 0.00 54.97 53.57 3b4s s GLU 75 Cb -0.16 -4.11 1.09 0.00 2.00 0.00 0.00 34.13 32.96 3b4s s GLU 75 CO 0.19 -1.25 1.86 1.19 -0.56 0.00 0.00 175.26 176.70 3b4s n PHE 76 N 4.52 0.25 -1.21 5.30 3.01 -1.26 -3.79 117.46 124.28 3b4s n PHE 76 Ca -0.01 0.07 0.09 0.00 1.01 0.00 0.00 57.45 58.61 3b4s n PHE 76 Cb 0.42 -0.62 0.16 0.00 -0.01 0.00 0.00 39.48 39.42 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 -1.71 1.36 -1.39 -1.08 1.02 -1.26 -4.53 120.64 113.06 3b4s n GLU 77 Ca 0.06 -2.77 0.04 0.00 -0.02 0.00 0.00 57.16 54.47 3b4s n GLU 77 Cb 0.35 -1.53 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3b4s n GLU 77 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3b4s n LYS 78 N -1.35 0.59 0.00 3.49 4.76 -1.26 -5.11 118.16 119.28 3b4s n LYS 78 Ca 0.17 -2.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.14 3b4s n LYS 78 Cb 0.65 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b4s n GLY 79 N 0.01 -1.47 0.32 0.72 0.00 -1.26 -4.14 105.19 99.36 3b4s n GLY 79 Ca 0.10 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.61 -0.80 -0.32 0.99 4.32 -1.26 -1.65 117.00 116.66 3b4s n LEU 80 Ca 0.00 1.45 0.09 0.00 -0.02 0.00 0.00 56.01 57.53 3b4s n LEU 80 Cb 0.00 -0.23 0.25 0.00 -1.62 0.00 0.00 43.42 41.83 3b4s n LEU 80 CO 0.00 -1.15 1.13 0.44 -1.22 0.00 0.00 177.39 176.59 3b4s h ASP 81 N 0.00 0.62 0.23 -1.43 3.32 -1.99 0.26 116.42 117.43 3b4s h ASP 81 Ca 0.12 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3b4s h ASP 81 Cb 0.31 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3b4s h ASP 81 CO -0.71 0.25 -0.36 0.00 -1.72 0.00 0.00 179.24 176.70 3b4s h ALA 82 N 1.59 1.22 -0.03 3.45 0.00 -1.47 -2.18 119.26 121.83 3b4s h ALA 82 Ca 0.50 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3b4s h ALA 82 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3b4s h ALA 82 CO -0.37 0.53 -0.12 0.35 0.00 0.00 0.00 179.25 179.64 3b4s h PHE 83 N 0.16 0.18 -0.99 0.00 3.57 -0.20 -2.25 116.94 117.42 3b4s h PHE 83 Ca 0.02 -0.08 0.30 0.00 3.53 0.00 0.00 57.97 61.74 3b4s h PHE 83 Cb 0.72 -0.03 -0.18 0.00 2.79 0.00 0.00 35.95 39.25 3b4s h PHE 83 CO 0.01 0.76 0.13 0.77 -2.23 0.00 0.00 178.31 177.75 3b4s h SER 84 N -0.44 -0.31 0.22 0.41 0.02 -0.78 -1.77 113.55 110.90 3b4s h SER 84 Ca -0.01 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3b4s h SER 84 Cb 0.77 0.44 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3b4s h SER 84 CO 0.03 -0.36 -0.10 1.56 -1.14 0.00 0.00 176.83 176.81 3b4s h GLN 85 N 0.02 -0.28 -0.13 3.45 1.08 -1.16 -1.70 115.11 116.39 3b4s h GLN 85 Ca 0.65 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.91 3b4s h GLN 85 Cb 1.42 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.85 3b4s h GLN 85 CO -0.88 -0.11 -0.43 0.77 -0.95 0.00 0.00 178.83 177.23 3b4s h SER 86 N -0.40 -1.33 -0.34 1.46 0.02 -0.75 0.59 113.55 112.81 3b4s h SER 86 Ca -0.03 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3b4s h SER 86 Cb 0.30 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3b4s h SER 86 CO 0.05 -0.43 0.17 -0.25 -1.14 0.00 0.00 176.83 175.22 3b4s h TRP 87 N -0.50 0.48 -0.78 3.45 2.91 -1.34 0.20 115.95 120.37 3b4s h TRP 87 Ca 0.07 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 3b4s h TRP 87 Cb 0.63 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 3b4s h TRP 87 CO -0.49 0.41 0.43 0.82 -1.03 0.00 0.00 178.44 178.58 3b4s h ILE 88 N 0.41 1.23 -0.60 2.65 2.04 -0.96 0.12 117.51 122.40 3b4s h ILE 88 Ca 0.12 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3b4s h ILE 88 Cb 0.11 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3b4s h ILE 88 CO -0.02 0.26 0.11 0.50 0.00 0.00 0.00 178.15 179.00 3b4s h LYS 89 N 1.09 0.96 -0.36 2.37 1.63 0.01 -2.97 116.57 119.30 3b4s h LYS 89 Ca 0.28 -0.23 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 3b4s h LYS 89 Cb 0.03 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3b4s h LYS 89 CO -0.04 0.88 -0.28 0.00 -3.45 0.00 0.00 179.45 176.56 3b4s h ALA 90 N 1.20 0.84 0.00 5.00 0.00 0.69 -1.70 119.26 125.29 3b4s h ALA 90 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b4s h ALA 90 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3b4s h ALA 90 CO 0.01 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 3b4s h LEU 91 N 0.64 0.00 0.00 0.00 3.38 -0.64 0.00 115.31 118.69 3b4s h LEU 91 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3b4s h LEU 91 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3b4s h LEU 91 CO 0.07 0.00 -0.40 -0.33 0.09 0.00 0.00 178.44 177.86 3b4s h GLU 92 N 0.00 0.00 -5.82 1.13 5.08 -1.34 -3.45 114.58 110.18 3b4s h GLU 92 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3b4s h GLU 92 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 3b4s h GLU 92 CO 0.00 0.00 0.51 0.34 -1.00 0.00 0.00 179.01 178.86 3b4s s ASP 93 N -5.68 6.86 0.39 1.42 2.15 -0.01 -4.95 116.67 116.85 3b4s s ASP 93 Ca 0.04 1.07 0.06 0.00 0.43 0.00 0.00 52.55 54.15 3b4s s ASP 93 Cb 0.08 -2.45 0.80 0.00 -0.30 0.00 0.00 42.92 41.05 3b4s s ASP 93 CO 0.71 -0.54 2.03 -1.28 -0.17 0.00 0.00 175.17 175.92 3b4s h SER 94 N 7.66 0.49 1.19 -0.34 0.87 -1.86 -1.51 113.55 120.05 3b4s h SER 94 Ca -0.23 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 3b4s h SER 94 Cb 1.09 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3b4s h SER 94 CO 0.89 0.39 -0.10 -0.33 -0.53 0.00 0.00 176.83 177.15 3b4s h GLU 95 N 0.57 0.00 -0.15 2.24 4.39 -1.93 -2.22 114.58 117.48 3b4s h GLU 95 Ca 0.15 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 3b4s h GLU 95 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3b4s h GLU 95 CO -0.03 0.10 -0.36 0.35 -1.16 0.00 0.00 179.01 177.91 3b4s h PHE 96 N 0.00 0.66 -0.71 4.33 3.57 -1.55 -2.95 116.94 120.29 3b4s h PHE 96 Ca -0.00 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.27 3b4s h PHE 96 Cb 0.72 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3b4s h PHE 96 CO 0.00 0.99 0.46 1.25 -2.23 0.00 0.00 178.31 178.77 3b4s h LEU 97 N 0.15 0.77 -0.74 0.59 5.85 -1.25 -0.82 115.31 119.86 3b4s h LEU 97 Ca -0.00 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.87 3b4s h LEU 97 Cb 0.97 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 3b4s h LEU 97 CO 0.08 0.54 0.19 0.00 -0.34 0.00 0.00 178.44 178.91 3b4s h ALA 98 N 1.28 0.97 -0.28 1.25 0.00 -1.35 -0.75 119.26 120.38 3b4s h ALA 98 Ca 0.27 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 3b4s h ALA 98 Cb -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3b4s h ALA 98 CO -0.08 -0.33 -0.44 0.82 0.00 0.00 0.00 179.25 179.22 3b4s h ILE 99 N 0.28 1.29 -0.15 0.00 2.04 -1.02 -2.24 117.51 117.71 3b4s h ILE 99 Ca 0.42 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3b4s h ILE 99 Cb 0.71 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3b4s h ILE 99 CO -0.50 0.52 0.06 -0.07 0.00 0.00 0.00 178.15 178.16 3b4s h LEU 100 N 0.58 0.21 -0.81 1.44 3.38 -0.35 -2.48 115.31 117.27 3b4s h LEU 100 Ca 0.04 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.03 3b4s h LEU 100 Cb 0.99 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 3b4s h LEU 100 CO 0.09 0.32 0.29 -0.09 0.09 0.00 0.00 178.44 179.15 3b4s h ARG 101 N 0.09 0.35 -0.36 1.13 2.43 -1.07 0.31 114.38 117.26 3b4s h ARG 101 Ca 0.05 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3b4s h ARG 101 Cb 0.18 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3b4s h ARG 101 CO -0.00 0.23 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.48 3b4s h LEU 102 N 0.36 -0.46 -0.74 3.80 3.38 -0.96 -0.74 115.31 119.94 3b4s h LEU 102 Ca 0.48 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3b4s h LEU 102 Cb 0.85 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 3b4s h LEU 102 CO -0.50 -0.17 0.48 0.25 0.09 0.00 0.00 178.44 178.59 3b4s h LEU 103 N -0.06 0.87 -0.31 1.67 6.46 -0.10 -2.63 115.31 121.21 3b4s h LEU 103 Ca 0.18 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3b4s h LEU 103 Cb 0.33 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3b4s h LEU 103 CO -0.41 0.64 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.77 3b4s h PHE 104 N 1.01 0.00 -0.06 1.25 0.04 -0.51 -3.34 116.94 115.33 3b4s h PHE 104 Ca 0.27 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.04 3b4s h PHE 104 Cb -0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 3b4s h PHE 104 CO -0.02 0.02 0.04 1.25 -0.60 0.00 0.00 178.31 179.00 3b4s h HIS 105 N 0.00 0.08 -0.50 -0.55 2.76 -0.76 -1.50 115.15 114.68 3b4s h HIS 105 Ca -0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3b4s h HIS 105 Cb 0.91 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.76 3b4s h HIS 105 CO 0.00 0.11 -0.15 1.58 -1.30 0.00 0.00 177.93 178.16 3b4s n HIS 106 N -5.02 0.11 0.07 5.26 -0.00 -1.25 -2.03 115.22 112.37 3b4s n HIS 106 Ca -0.06 0.61 -0.00 0.00 -0.00 0.00 0.00 57.72 58.27 3b4s n HIS 106 Cb 0.06 -0.75 -0.05 0.00 -0.00 0.00 0.00 29.99 29.24 3b4s n HIS 106 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3b4s h ILE 107 N 0.00 0.76 -0.52 3.57 2.04 -1.49 -3.31 117.51 118.55 3b4s h ILE 107 Ca 0.21 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3b4s h ILE 107 Cb 0.34 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3b4s h ILE 107 CO -0.51 0.44 0.00 1.33 0.00 0.00 0.00 178.15 179.41 3b4s n VAL 108 N -3.06 2.61 -3.96 1.67 0.24 -0.86 -4.87 118.33 110.10 3b4s n VAL 108 Ca -0.05 -1.48 -0.35 0.00 -2.04 0.00 0.00 64.34 60.42 3b4s n VAL 108 Cb 0.83 -0.24 -0.13 0.00 -1.47 0.00 0.00 33.84 32.83 3b4s n VAL 108 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3b4s s THR 109 N -2.71 4.03 0.41 3.34 2.01 -1.23 -5.09 115.64 116.41 3b4s s THR 109 Ca 0.52 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.31 3b4s s THR 109 Cb 0.40 -2.84 -0.08 0.00 0.01 0.00 0.00 72.50 69.99 3b4s s THR 109 CO 0.15 0.40 0.03 -0.94 -0.69 0.00 0.00 174.62 173.58 3b4s s SER 110 N 1.19 3.95 -0.07 3.53 1.04 -1.26 -5.04 113.70 117.04 3b4s s SER 110 Ca 0.03 -1.32 -0.23 0.00 0.48 0.00 0.00 55.95 54.91 3b4s s SER 110 Cb -0.14 -0.41 -0.30 0.00 0.10 0.00 0.00 66.02 65.27 3b4s s SER 110 CO 0.02 -0.46 0.84 -0.33 0.98 0.00 0.00 173.24 174.29 3b4s h GLU 111 N 1.73 0.22 -1.18 4.02 3.07 -2.00 -2.27 114.58 118.17 3b4s h GLU 111 Ca -0.44 -0.38 0.35 0.00 -0.50 0.00 0.00 59.36 58.39 3b4s h GLU 111 Cb 1.24 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 29.24 3b4s h GLU 111 CO 0.79 1.18 0.84 0.45 -1.40 0.00 0.00 179.01 180.88 3b4s n SER 112 N -4.24 0.01 -0.10 1.42 2.88 -1.26 -1.18 113.62 111.15 3b4s n SER 112 Ca -0.14 0.63 -0.19 0.00 -1.33 0.00 0.00 58.87 57.84 3b4s n SER 112 Cb 0.74 -0.31 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 3b4s n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3b4s n ALA 113 N -2.56 1.61 0.12 -1.46 0.00 -1.17 -3.40 120.51 113.64 3b4s n ALA 113 Ca 0.27 -0.84 0.14 0.00 0.00 0.00 0.00 53.44 53.00 3b4s n ALA 113 Cb 1.21 0.15 0.65 0.00 0.00 0.00 0.00 19.45 21.46 3b4s n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3b4s h HIS 114 N -0.43 0.03 0.00 0.00 6.17 -1.08 -1.62 115.15 118.22 3b4s h HIS 114 Ca -0.50 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.58 3b4s h HIS 114 Cb 1.56 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.48 3b4s h HIS 114 CO -0.03 0.02 0.00 -1.91 0.71 0.00 0.00 177.93 176.72 3b4s n GLU 115 N -4.46 0.00 -0.57 5.26 4.07 -0.33 -3.27 120.64 121.34 3b4s n GLU 115 Ca 0.03 0.12 0.45 0.00 -0.06 0.00 0.00 57.16 57.70 3b4s n GLU 115 Cb 0.34 -1.09 0.71 0.00 -0.06 0.00 0.00 31.44 31.34 3b4s n GLU 115 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3b4s n PHE 116 N -0.80 0.29 1.37 4.31 7.35 -1.17 -0.15 117.46 128.66 3b4s n PHE 116 Ca 0.00 0.29 0.15 0.00 -0.76 0.00 0.00 57.45 57.13 3b4s n PHE 116 Cb 0.00 -0.74 0.74 0.00 0.35 0.00 0.00 39.48 39.82 3b4s n PHE 116 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3b4s n ALA 117 N -2.72 2.48 -0.09 3.13 0.00 -0.62 -2.34 120.51 120.35 3b4s n ALA 117 Ca 0.40 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3b4s n ALA 117 Cb 1.72 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 3b4s n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b4s n ALA 118 N -1.30 1.56 -1.97 0.00 0.00 0.79 -4.76 120.51 114.83 3b4s n ALA 118 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3b4s n ALA 118 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.68 0.00 0.01 0.00 0.23 -1.24 -4.91 115.26 106.67 3b4s n ASN 119 Ca -0.29 -1.39 -0.06 0.00 -0.53 0.00 0.00 54.58 52.31 3b4s n ASN 119 Cb 1.06 -0.08 0.14 0.00 -2.08 0.00 0.00 39.78 38.82 3b4s n ASN 119 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3b4s h GLY 120 N 0.00 0.54 2.00 4.83 0.00 -1.72 -2.63 103.07 106.09 3b4s h GLY 120 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 3b4s h GLY 120 CO 0.00 0.47 -0.29 0.16 0.00 0.00 0.00 176.54 176.88 3b4s h ILE 121 N 0.42 1.15 -0.07 2.60 -0.00 -1.91 -1.02 117.51 118.68 3b4s h ILE 121 Ca 0.04 -1.02 -0.03 0.00 -0.00 0.00 0.00 64.86 63.86 3b4s h ILE 121 Cb 0.85 1.56 -0.00 0.00 -0.00 0.00 0.00 36.82 39.23 3b4s h ILE 121 CO 0.07 0.29 -0.06 0.44 -0.00 0.00 0.00 178.15 178.89 3b4s h ASP 122 N 0.00 0.17 0.50 2.16 5.19 -1.87 -0.88 116.42 121.68 3b4s h ASP 122 Ca -0.00 -0.47 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 3b4s h ASP 122 Cb 0.54 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3b4s h ASP 122 CO 0.04 0.60 -0.24 0.03 -3.12 0.00 0.00 179.24 176.55 3b4s h ARG 123 N -0.26 0.00 -0.03 3.56 3.08 -1.34 -2.13 114.38 117.26 3b4s h ARG 123 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3b4s h ARG 123 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3b4s h ARG 123 CO 0.02 0.24 -0.04 1.25 -1.07 0.00 0.00 179.97 180.37 3b4s h LEU 124 N 0.00 0.09 0.30 3.04 6.46 -1.08 -3.30 115.31 120.82 3b4s h LEU 124 Ca -0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 3b4s h LEU 124 Cb 0.55 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3b4s h LEU 124 CO 0.03 0.59 -0.41 1.88 -0.62 0.00 0.00 178.44 179.90 3b4s h TYR 125 N -0.41 -1.14 0.00 1.25 -1.99 -0.85 -1.13 116.97 112.69 3b4s h TYR 125 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3b4s h TYR 125 Cb 0.56 0.46 0.00 0.00 2.00 0.00 0.00 36.73 39.76 3b4s h TYR 125 CO 0.10 -0.55 0.00 1.17 -0.00 0.00 0.00 178.16 178.89 3b4s n LYS 126 N -5.49 0.07 0.00 4.88 3.00 -0.83 -0.37 118.16 119.43 3b4s n LYS 126 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 3b4s n LYS 126 Cb 0.39 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.96 3b4s n LYS 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3b4s n VAL 128 N 1.13 0.00 -0.27 3.15 0.31 -0.43 -1.52 118.33 120.69 3b4s n VAL 128 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3b4s n VAL 128 Cb 0.03 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.02 3b4s n VAL 128 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3b4s h GLU 129 N 0.00 1.09 0.00 5.55 5.08 -0.87 0.95 114.58 126.38 3b4s h GLU 129 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3b4s h GLU 129 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3b4s h GLU 129 CO 0.00 0.88 0.00 -1.13 -1.00 0.00 0.00 179.01 177.76 3b4s n SER 130 N -4.36 0.00 -0.00 1.42 3.41 -0.58 -1.12 113.62 112.39 3b4s n SER 130 Ca 0.06 -0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 3b4s n SER 130 Cb 0.16 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.27 2.60 0.00 4.33 1.13 -0.71 -4.81 117.38 118.66 3b4s n GLN 131 Ca 0.11 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3b4s n GLN 131 Cb 0.17 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 29.64 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 -1.37 0.00 -4.43 1.08 3.72 0.25 -5.08 117.46 111.62 3b4s n PHE 132 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3b4s n PHE 132 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.00 0.05 0.10 1.37 0.00 -0.27 -3.39 105.19 103.04 3b4s n GLY 133 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 3b4s n GLY 133 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3b4s h SER 134 N 6.35 0.00 -1.10 1.61 0.02 -1.93 -2.65 113.55 115.85 3b4s h SER 134 Ca 0.00 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.27 3b4s h SER 134 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3b4s h SER 134 CO 0.00 0.71 0.97 1.23 -1.14 0.00 0.00 176.83 178.60 3b4s h GLY 135 N 3.40 0.00 1.27 -3.77 0.00 -1.98 -0.21 103.07 101.78 3b4s h GLY 135 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 3b4s h GLY 135 CO 0.08 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 175.22 3b4s h GLY 136 N 0.00 0.94 0.84 4.60 0.00 -1.48 -3.24 103.07 104.73 3b4s h GLY 136 Ca 0.52 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3b4s h GLY 136 CO -0.01 0.64 -0.28 -0.55 0.00 0.00 0.00 176.54 176.35 3b4s h ASP 137 N 0.79 -0.66 -0.54 0.19 3.32 -1.20 -2.34 116.42 115.98 3b4s h ASP 137 Ca 0.14 -0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.31 3b4s h ASP 137 Cb 0.58 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3b4s h ASP 137 CO 0.04 -0.36 0.56 0.50 -1.72 0.00 0.00 179.24 178.26 3b4s h LYS 138 N -0.94 0.00 0.09 3.56 3.11 -1.65 -0.73 116.57 120.01 3b4s h LYS 138 Ca -0.08 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.50 3b4s h LYS 138 Cb 0.65 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 3b4s h LYS 138 CO 0.13 0.00 -1.37 1.49 -2.81 0.00 0.00 179.45 176.89 3b4s h GLU 139 N 0.00 0.19 -0.51 1.90 4.57 -1.55 -3.00 114.58 116.18 3b4s h GLU 139 Ca 0.26 -0.33 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3b4s h GLU 139 Cb 1.38 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 30.08 3b4s h GLU 139 CO -0.00 1.16 0.10 1.25 -1.18 0.00 0.00 179.01 180.33 3b4s h LEU 140 N -0.41 0.80 -0.67 1.64 5.85 -0.77 -1.37 115.31 120.37 3b4s h LEU 140 Ca -0.31 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.28 3b4s h LEU 140 Cb 1.68 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.41 3b4s h LEU 140 CO 0.02 0.84 0.23 -0.33 -0.34 0.00 0.00 178.44 178.86 3b4s h GLU 141 N 0.71 0.38 -0.22 1.25 5.08 -1.28 0.39 114.58 120.89 3b4s h GLU 141 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3b4s h GLU 141 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3b4s h GLU 141 CO 0.01 0.25 0.14 2.35 -1.00 0.00 0.00 179.01 180.76 3b4s h TRP 142 N 0.39 0.26 -0.42 4.33 7.01 -1.27 -2.11 115.95 124.13 3b4s h TRP 142 Ca 0.35 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.30 3b4s h TRP 142 Cb 0.50 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3b4s h TRP 142 CO -0.19 0.16 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.55 3b4s h LEU 143 N 0.29 0.65 0.12 0.65 3.38 0.04 0.40 115.31 120.84 3b4s h LEU 143 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3b4s h LEU 143 Cb -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3b4s h LEU 143 CO -0.03 0.72 -0.06 0.40 0.09 0.00 0.00 178.44 179.57 3b4s h ILE 144 N 0.65 1.01 -0.80 1.22 2.04 -0.93 -0.60 117.51 120.10 3b4s h ILE 144 Ca 0.13 -0.54 0.15 0.00 1.00 0.00 0.00 64.86 65.61 3b4s h ILE 144 Cb 0.40 1.35 -0.15 0.00 -0.74 0.00 0.00 36.82 37.69 3b4s h ILE 144 CO 0.02 0.13 -0.24 1.23 0.00 0.00 0.00 178.15 179.29 3b4s h GLY 145 N -0.41 0.45 1.65 5.37 0.00 -0.65 0.31 103.07 109.78 3b4s h GLY 145 Ca -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 3b4s h GLY 145 CO 0.03 -0.29 0.12 -0.09 0.00 0.00 0.00 176.54 176.31 3b4s h ARG 146 N -0.02 0.46 -0.46 4.80 2.43 -0.43 -2.41 114.38 118.75 3b4s h ARG 146 Ca 0.36 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 3b4s h ARG 146 Cb 0.59 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3b4s h ARG 146 CO -0.83 0.39 -0.21 0.77 -1.51 0.00 0.00 179.97 178.58 3b4s h SER 147 N 0.46 0.95 0.34 -3.80 0.02 0.12 -1.59 113.55 110.05 3b4s h SER 147 Ca 0.11 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3b4s h SER 147 Cb 0.11 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3b4s h SER 147 CO -0.01 1.12 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.57 3b4s h LEU 148 N 0.80 -0.39 -0.70 5.07 3.38 -0.93 -3.02 115.31 119.53 3b4s h LEU 148 Ca 0.11 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.19 3b4s h LEU 148 Cb 0.77 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 3b4s h LEU 148 CO 0.06 -0.22 -0.13 0.40 0.09 0.00 0.00 178.44 178.64 3b4s h ILE 149 N -0.52 0.32 0.00 1.22 5.03 -1.21 -1.12 117.51 121.23 3b4s h ILE 149 Ca -0.05 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 3b4s h ILE 149 Cb 0.39 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.48 3b4s h ILE 149 CO 0.08 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.55 3b4s n GLN 150 N -5.44 0.00 0.00 2.37 1.13 -0.62 -2.79 117.38 112.03 3b4s n GLN 150 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3b4s n GLN 150 Cb 0.38 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 30.15 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 0.00 0.00 -0.44 1.08 3.41 -0.42 -5.11 113.62 112.13 3b4s n SER 152 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3b4s n SER 152 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 3b4s n SER 152 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17