#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8k n ALA 73 N 0.00 0.00 -3.54 7.82 0.00 -1.26 -5.01 120.51 118.52 2b8k n ALA 73 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2b8k n ALA 73 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2b8k n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2b8k s ILE 74 N -1.84 -0.01 0.56 0.00 1.01 -1.21 -4.61 121.20 115.10 2b8k s ILE 74 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 2b8k s ILE 74 Cb 0.00 -0.72 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 2b8k s ILE 74 CO 0.00 0.01 1.07 -0.81 0.00 0.00 0.00 174.94 175.21 2b8k n PRO 75 N 3.51 1.15 0.07 2.79 -0.04 -1.26 -4.76 135.00 136.46 2b8k n PRO 75 Ca -0.18 0.43 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2b8k n PRO 75 Cb 0.56 -2.25 0.26 0.00 -0.04 0.00 0.00 33.50 32.04 2b8k n PRO 75 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2b8k n LYS 76 N -0.87 0.06 -3.45 0.54 4.81 -1.26 -3.98 118.16 114.01 2b8k n LYS 76 Ca 0.12 0.53 -0.23 0.00 -0.87 0.00 0.00 58.31 57.86 2b8k n LYS 76 Cb 0.45 -1.69 0.03 0.00 0.02 0.00 0.00 35.03 33.85 2b8k n LYS 76 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2b8k s ASP 77 N -3.44 4.84 0.00 3.14 -1.08 -1.26 -4.27 116.67 114.60 2b8k s ASP 77 Ca -0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 2b8k s ASP 77 Cb 0.03 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 2b8k s ASP 77 CO 0.11 -1.27 0.00 0.00 0.52 0.00 0.00 175.17 174.53 2b8k n GLN 78 N -2.04 -0.40 -1.62 4.34 6.02 -1.26 -4.88 117.38 117.53 2b8k n GLN 78 Ca 0.07 0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 2b8k n GLN 78 Cb 0.63 -4.55 0.02 0.00 1.02 0.00 0.00 30.24 27.36 2b8k n GLN 78 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2b8k n ARG 79 N -1.41 1.34 0.00 -1.09 3.00 -1.26 -4.93 116.66 112.32 2b8k n ARG 79 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 2b8k n ARG 79 Cb 0.10 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.43 2b8k n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2b8k n ALA 80 N -0.73 0.46 -1.00 5.13 0.00 -1.26 -5.11 120.51 118.00 2b8k n ALA 80 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2b8k n ALA 80 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2b8k n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2b8k n THR 81 N -0.28 0.00 -3.26 0.00 -1.04 -1.26 -4.95 114.28 103.48 2b8k n THR 81 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2b8k n THR 81 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2b8k n THR 81 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2b8k s THR 82 N -0.53 5.11 0.53 12.58 2.01 -1.26 -4.94 115.64 129.15 2b8k s THR 82 Ca 0.00 0.91 0.30 0.00 0.31 0.00 0.00 61.69 63.20 2b8k s THR 82 Cb 0.00 -3.82 0.30 0.00 0.01 0.00 0.00 72.50 68.99 2b8k s THR 82 CO 0.00 0.17 1.90 -0.65 -0.69 0.00 0.00 174.62 175.35 2b8k h PRO 83 N 7.55 0.00 -6.21 4.92 0.11 -1.98 -3.42 132.00 132.97 2b8k h PRO 83 Ca -0.33 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.25 2b8k h PRO 83 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2b8k h PRO 83 CO 0.73 0.00 -0.36 0.71 -0.21 0.00 0.00 178.00 178.87 2b8k s TYR 84 N -3.97 3.48 0.05 0.65 1.51 -1.26 -2.14 117.35 115.67 2b8k s TYR 84 Ca -0.03 0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 56.00 2b8k s TYR 84 Cb 0.09 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.10 2b8k s TYR 84 CO 0.27 0.39 0.90 1.41 -1.11 0.00 0.00 175.55 177.41 2b8k s MET 85 N -3.45 4.59 0.47 -0.62 -2.45 -0.49 -4.82 119.30 112.53 2b8k s MET 85 Ca 0.37 1.31 -0.18 0.00 -1.25 0.00 0.00 55.69 55.94 2b8k s MET 85 Cb -0.11 -3.40 -0.09 0.00 1.25 0.00 0.00 34.83 32.48 2b8k s MET 85 CO 0.29 0.15 0.95 0.95 1.05 0.00 0.00 175.02 178.42 2b8k s THR 86 N 0.32 4.48 0.23 10.11 -4.23 -1.26 -4.87 115.64 120.42 2b8k s THR 86 Ca 0.46 1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 62.21 2b8k s THR 86 Cb -0.22 -3.66 0.19 0.00 1.34 0.00 0.00 72.50 70.15 2b8k s THR 86 CO 0.27 -0.50 1.83 0.07 -0.54 0.00 0.00 174.62 175.75 2b8k h LYS 87 N 1.43 0.82 -0.87 3.99 2.10 -1.99 -0.61 116.57 121.45 2b8k h LYS 87 Ca -0.48 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.16 2b8k h LYS 87 Cb 1.18 -0.18 -0.05 0.00 -0.90 0.00 0.00 32.23 32.28 2b8k h LYS 87 CO 0.61 0.54 0.57 1.88 -2.00 0.00 0.00 179.45 181.05 2b8k h TYR 88 N 0.84 1.04 0.00 0.07 -1.99 -1.98 0.41 116.97 115.36 2b8k h TYR 88 Ca 0.35 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.11 2b8k h TYR 88 Cb 0.21 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.59 2b8k h TYR 88 CO -0.05 0.60 0.00 0.39 -0.00 0.00 0.00 178.16 179.10 2b8k n GLU 89 N -4.45 0.00 -0.34 4.88 1.02 -0.35 -1.32 120.64 120.08 2b8k n GLU 89 Ca 0.11 0.36 0.15 0.00 -0.02 0.00 0.00 57.16 57.77 2b8k n GLU 89 Cb 0.11 -1.24 0.30 0.00 -0.02 0.00 0.00 31.44 30.59 2b8k n GLU 89 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2b8k h ARG 90 N 0.00 0.02 0.01 3.49 0.11 -1.12 0.87 114.38 117.75 2b8k h ARG 90 Ca 0.00 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.11 2b8k h ARG 90 Cb 0.00 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 2b8k h ARG 90 CO 0.00 0.01 -0.32 0.00 0.10 0.00 0.00 179.97 179.76 2b8k h ALA 91 N 1.97 -0.48 -0.19 0.08 0.00 -0.19 -1.34 119.26 119.11 2b8k h ALA 91 Ca 0.61 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.40 2b8k h ALA 91 Cb 1.27 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2b8k h ALA 91 CO -0.90 -0.84 -0.32 -0.09 0.00 0.00 0.00 179.25 177.11 2b8k h ARG 92 N -0.48 0.38 0.91 0.00 2.43 0.18 -2.40 114.38 115.40 2b8k h ARG 92 Ca 0.06 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2b8k h ARG 92 Cb 0.56 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2b8k h ARG 92 CO -0.26 0.66 -0.45 0.82 -1.51 0.00 0.00 179.97 179.23 2b8k h ILE 93 N 0.33 0.09 -0.59 1.20 2.04 0.37 0.17 117.51 121.12 2b8k h ILE 93 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2b8k h ILE 93 Cb 0.73 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.79 2b8k h ILE 93 CO 0.06 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.98 2b8k h LEU 94 N -1.23 -0.58 0.04 1.44 3.38 -1.26 0.80 115.31 117.89 2b8k h LEU 94 Ca -0.12 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2b8k h LEU 94 Cb 0.95 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2b8k h LEU 94 CO 0.20 -0.20 -0.05 1.23 0.09 0.00 0.00 178.44 179.71 2b8k h GLY 95 N -0.01 -0.82 -0.99 0.83 0.00 -1.25 0.46 103.07 101.28 2b8k h GLY 95 Ca 0.28 0.36 0.17 0.00 0.00 0.00 0.00 47.33 48.14 2b8k h GLY 95 CO -0.61 -0.30 -0.35 2.41 0.00 0.00 0.00 176.54 177.68 2b8k n THR 96 N -2.58 -0.49 -0.33 4.70 -1.04 0.58 0.05 114.28 115.17 2b8k n THR 96 Ca -0.01 2.31 -0.03 0.00 -2.04 0.00 0.00 64.05 64.28 2b8k n THR 96 Cb 0.04 -3.09 0.09 0.00 -1.82 0.00 0.00 70.33 65.56 2b8k n THR 96 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2b8k h ARG 97 N 0.00 1.16 0.39 -2.82 9.65 0.90 -2.15 114.38 121.52 2b8k h ARG 97 Ca 0.38 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.18 2b8k h ARG 97 Cb 0.63 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2b8k h ARG 97 CO -0.99 0.77 -0.31 0.00 2.80 0.00 0.00 179.97 182.23 2b8k h ALA 98 N 1.33 -1.06 -0.69 2.80 0.00 0.39 0.26 119.26 122.29 2b8k h ALA 98 Ca 0.33 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2b8k h ALA 98 Cb -0.12 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 2b8k h ALA 98 CO -0.08 -1.06 -0.19 -0.11 0.00 0.00 0.00 179.25 177.81 2b8k n LEU 99 N -4.28 -0.29 0.13 0.00 7.94 0.01 0.13 117.00 120.64 2b8k n LEU 99 Ca -0.08 1.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.87 2b8k n LEU 99 Cb 0.30 -0.34 -0.08 0.00 0.53 0.00 0.00 43.42 43.83 2b8k n LEU 99 CO 0.19 -1.12 0.59 1.56 -1.11 0.00 0.00 177.39 177.49 2b8k h GLN 100 N 0.00 -0.32 -0.97 1.96 4.20 -0.96 -2.04 115.11 116.99 2b8k h GLN 100 Ca 0.31 0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.20 2b8k h GLN 100 Cb 0.48 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.25 2b8k h GLN 100 CO -0.70 -0.00 0.61 0.82 -0.67 0.00 0.00 178.83 178.88 2b8k h ILE 101 N -0.66 0.80 0.00 2.54 2.04 0.24 1.32 117.51 123.80 2b8k h ILE 101 Ca -0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2b8k h ILE 101 Cb 0.47 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2b8k h ILE 101 CO 0.06 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 2b8k n SER 102 N -4.64 0.40 -1.30 1.72 3.41 0.35 -1.98 113.62 111.58 2b8k n SER 102 Ca 0.20 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.51 2b8k n SER 102 Cb 0.49 -0.68 0.31 0.00 -0.26 0.00 0.00 64.21 64.06 2b8k n SER 102 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2b8k n MET 103 N -1.94 3.10 -2.00 4.33 2.81 0.45 -4.93 117.12 118.93 2b8k n MET 103 Ca 0.03 -2.65 -0.02 0.00 -1.81 0.00 0.00 57.70 53.24 2b8k n MET 103 Cb 0.21 -1.64 -0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2b8k n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2b8k n ASN 104 N 1.22 -1.61 -4.84 7.83 3.02 -0.84 -5.04 115.26 115.01 2b8k n ASN 104 Ca 0.23 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 2b8k n ASN 104 Cb 0.69 -0.98 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 2b8k n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b8k s ALA 105 N -2.11 2.58 0.35 5.41 0.00 -0.94 -4.99 121.76 122.06 2b8k s ALA 105 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2b8k s ALA 105 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 2b8k s ALA 105 CO 0.00 -1.40 1.13 -2.14 0.00 0.00 0.00 175.76 173.35 2b8k s PRO 106 N -5.22 4.30 -0.26 0.00 0.02 -1.26 -4.72 135.00 127.85 2b8k s PRO 106 Ca 0.59 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 2b8k s PRO 106 Cb -0.13 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 2b8k s PRO 106 CO 0.53 -0.09 0.09 0.08 -0.33 0.00 0.00 177.00 177.28 2b8k s VAL 107 N -1.36 4.39 -1.47 3.83 1.01 -1.26 -4.93 120.40 120.61 2b8k s VAL 107 Ca 0.52 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2b8k s VAL 107 Cb -0.30 -3.09 0.13 0.00 0.00 0.00 0.00 36.38 33.13 2b8k s VAL 107 CO 0.38 0.29 0.93 0.49 0.00 0.00 0.00 175.10 177.19 2b8k n PHE 108 N 4.94 0.28 -4.25 5.22 3.01 -1.26 -4.85 117.46 120.54 2b8k n PHE 108 Ca -0.16 -0.11 -0.14 0.00 1.01 0.00 0.00 57.45 58.05 2b8k n PHE 108 Cb 0.51 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.80 2b8k n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2b8k s VAL 109 N -1.59 1.03 -0.02 -4.37 1.01 -1.26 -5.00 120.40 110.20 2b8k s VAL 109 Ca 0.09 -2.03 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 2b8k s VAL 109 Cb 0.06 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2b8k s VAL 109 CO 0.05 -0.67 0.99 -1.81 0.00 0.00 0.00 175.10 173.65 2b8k s ASP 110 N -3.17 7.34 -0.46 3.32 1.01 -1.26 -4.96 116.67 118.48 2b8k s ASP 110 Ca 0.18 1.64 -0.29 0.00 0.71 0.00 0.00 52.55 54.79 2b8k s ASP 110 Cb 0.04 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.43 2b8k s ASP 110 CO 0.01 -0.30 1.20 -0.76 0.21 0.00 0.00 175.17 175.53 2b8k s LEU 111 N 1.23 3.62 0.00 1.23 1.02 -1.26 -4.78 118.68 119.73 2b8k s LEU 111 Ca 0.51 0.54 0.00 0.00 0.02 0.00 0.00 54.13 55.21 2b8k s LEU 111 Cb -0.20 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.46 2b8k s LEU 111 CO 0.26 -1.30 0.22 1.21 0.02 0.00 0.00 176.35 176.76 2b8k n GLU 112 N 7.91 0.27 0.00 1.70 2.13 -1.26 -4.38 120.64 127.01 2b8k n GLU 112 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2b8k n GLU 112 Cb 0.49 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.15 2b8k n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b8k n GLY 113 N -0.00 0.96 3.56 8.31 0.00 -1.26 -5.11 105.19 111.65 2b8k n GLY 113 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2b8k n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b8k n GLU 114 N -0.26 -0.51 0.00 1.61 -0.58 -1.26 -4.95 120.64 114.69 2b8k n GLU 114 Ca 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2b8k n GLU 114 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 2b8k n GLU 114 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2b8k n THR 115 N -4.06 0.00 -3.82 2.62 -2.24 -1.26 -4.98 114.28 100.54 2b8k n THR 115 Ca 0.09 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 2b8k n THR 115 Cb 0.53 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 2b8k n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b8k s ASP 116 N 0.00 4.86 0.15 3.42 -1.08 -1.26 -5.02 116.67 117.74 2b8k s ASP 116 Ca 0.00 -0.68 -0.31 0.00 -0.52 0.00 0.00 52.55 51.03 2b8k s ASP 116 Cb 0.00 -1.82 -0.08 0.00 -1.46 0.00 0.00 42.92 39.56 2b8k s ASP 116 CO 0.00 -0.15 1.54 1.55 0.52 0.00 0.00 175.17 178.63 2b8k h PRO 117 N 8.17 -0.09 0.00 4.34 0.13 -1.94 0.59 132.00 143.19 2b8k h PRO 117 Ca -0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2b8k h PRO 117 Cb 1.13 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2b8k h PRO 117 CO 0.59 -0.06 0.08 -0.11 -0.23 0.00 0.00 178.00 178.28 2b8k n LEU 118 N -5.28 0.37 -0.04 1.56 7.94 -1.26 0.64 117.00 120.93 2b8k n LEU 118 Ca 0.01 0.63 -0.12 0.00 -1.11 0.00 0.00 56.01 55.42 2b8k n LEU 118 Cb 0.28 -0.66 -0.14 0.00 0.53 0.00 0.00 43.42 43.43 2b8k n LEU 118 CO -0.12 -0.76 -0.74 -1.14 -1.11 0.00 0.00 177.39 173.51 2b8k n ARG 119 N -2.00 0.67 -0.07 1.96 0.63 0.19 -2.45 116.66 115.59 2b8k n ARG 119 Ca -0.01 0.23 -0.15 0.00 -0.92 0.00 0.00 57.85 57.00 2b8k n ARG 119 Cb 0.10 -1.71 -0.05 0.00 0.45 0.00 0.00 32.46 31.25 2b8k n ARG 119 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2b8k h ILE 120 N 0.02 1.27 -0.66 5.15 2.04 0.15 -2.33 117.51 123.14 2b8k h ILE 120 Ca -0.38 -1.77 0.02 0.00 1.00 0.00 0.00 64.86 63.73 2b8k h ILE 120 Cb 2.05 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 39.80 2b8k h ILE 120 CO 0.06 0.58 0.43 0.00 0.00 0.00 0.00 178.15 179.21 2b8k h ALA 121 N 0.65 0.86 -0.30 1.87 0.00 0.09 0.40 119.26 122.84 2b8k h ALA 121 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b8k h ALA 121 Cb 1.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2b8k h ALA 121 CO 0.13 0.22 0.14 0.52 0.00 0.00 0.00 179.25 180.26 2b8k h MET 122 N 0.85 0.40 0.34 0.00 2.86 -1.22 -0.99 114.93 117.18 2b8k h MET 122 Ca 0.26 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2b8k h MET 122 Cb -0.04 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2b8k h MET 122 CO -0.08 0.32 -0.16 -0.22 1.06 0.00 0.00 176.91 177.82 2b8k h LYS 123 N 0.41 -0.44 -0.97 1.72 3.64 -0.32 -2.89 116.57 117.72 2b8k h LYS 123 Ca 0.11 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.81 2b8k h LYS 123 Cb 0.04 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 31.82 2b8k h LYS 123 CO -0.02 -0.18 0.48 0.93 -2.27 0.00 0.00 179.45 178.40 2b8k h GLU 124 N -1.04 0.31 0.00 1.90 5.08 -0.13 0.33 114.58 121.02 2b8k h GLU 124 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2b8k h GLU 124 Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2b8k h GLU 124 CO 0.08 0.20 0.00 -0.11 -1.00 0.00 0.00 179.01 178.18 2b8k n LEU 125 N -5.09 0.40 -0.01 1.33 7.94 -0.39 -0.88 117.00 120.31 2b8k n LEU 125 Ca 0.29 0.60 0.10 0.00 -1.11 0.00 0.00 56.01 55.89 2b8k n LEU 125 Cb 0.88 -0.54 -0.14 0.00 0.53 0.00 0.00 43.42 44.15 2b8k n LEU 125 CO 0.09 -0.42 -0.42 0.00 -1.11 0.00 0.00 177.39 175.53 2b8k n ALA 126 N -1.66 3.71 -0.77 1.96 0.00 0.11 -3.71 120.51 120.14 2b8k n ALA 126 Ca 0.03 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 53.00 2b8k n ALA 126 Cb 0.21 -0.75 0.30 0.00 0.00 0.00 0.00 19.45 19.21 2b8k n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b8k n GLU 127 N -1.89 3.54 -3.89 0.00 1.02 -1.07 -4.94 120.64 113.41 2b8k n GLU 127 Ca -0.00 -2.81 -0.25 0.00 -0.02 0.00 0.00 57.16 54.07 2b8k n GLU 127 Cb 0.45 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 2b8k n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2b8k n LYS 128 N 0.25 -0.89 -2.42 3.49 5.02 -0.99 -4.83 118.16 117.79 2b8k n LYS 128 Ca 0.22 0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 2b8k n LYS 128 Cb 0.89 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 2b8k n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2b8k n LYS 129 N -3.77 3.33 -4.05 1.97 5.02 -0.05 -4.68 118.16 115.93 2b8k n LYS 129 Ca -0.23 -4.37 -0.33 0.00 -2.02 0.00 0.00 58.31 51.36 2b8k n LYS 129 Cb 0.52 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 33.12 2b8k n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2b8k s ILE 130 N -5.38 2.39 -0.87 -0.18 1.01 -1.26 -4.77 121.20 112.15 2b8k s ILE 130 Ca 0.49 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2b8k s ILE 130 Cb 0.40 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2b8k s ILE 130 CO -0.22 0.29 0.17 -0.81 0.00 0.00 0.00 174.94 174.36 2b8k n PRO 131 N 4.60 0.29 -3.55 2.79 -0.04 -1.26 -4.52 135.00 133.31 2b8k n PRO 131 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.09 2b8k n PRO 131 Cb 0.47 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2b8k n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b8k s LEU 132 N 0.00 4.03 -0.07 1.53 1.43 -1.26 -5.03 118.68 119.31 2b8k s LEU 132 Ca 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2b8k s LEU 132 Cb 0.00 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.45 2b8k s LEU 132 CO 0.00 -0.37 -0.04 -0.69 0.23 0.00 0.00 176.35 175.48 2b8k s VAL 133 N -2.15 0.60 -0.53 -1.59 1.01 -1.26 -2.40 120.40 114.09 2b8k s VAL 133 Ca 0.43 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 2b8k s VAL 133 Cb -0.09 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.67 2b8k s VAL 133 CO 0.31 0.27 0.75 -0.63 0.00 0.00 0.00 175.10 175.80 2b8k s ILE 134 N 1.42 4.68 -0.15 2.22 1.01 0.66 -4.93 121.20 126.11 2b8k s ILE 134 Ca -0.03 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 2b8k s ILE 134 Cb -0.13 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 2b8k s ILE 134 CO -0.03 -0.94 0.91 -0.60 0.00 0.00 0.00 174.94 174.28 2b8k s ARG 135 N 3.16 4.34 -0.71 2.79 3.52 -1.26 -2.45 118.95 128.34 2b8k s ARG 135 Ca 0.21 1.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.87 2b8k s ARG 135 Cb -0.17 -3.57 0.18 0.00 -1.56 0.00 0.00 34.95 29.84 2b8k s ARG 135 CO 0.14 -0.36 0.62 1.03 -0.81 0.00 0.00 175.30 175.93 2b8k s ARG 136 N 2.21 3.19 0.42 5.12 0.52 0.17 -4.91 118.95 125.68 2b8k s ARG 136 Ca 0.42 -2.29 -0.25 0.00 -0.52 0.00 0.00 55.73 53.09 2b8k s ARG 136 Cb -0.17 -4.22 -0.08 0.00 0.52 0.00 0.00 34.95 31.00 2b8k s ARG 136 CO 0.13 -1.26 1.30 0.71 0.02 0.00 0.00 175.30 176.20 2b8k s TYR 137 N 0.46 2.77 0.37 -0.53 1.51 -1.26 -1.94 117.35 118.73 2b8k s TYR 137 Ca 0.14 1.41 0.07 0.00 -1.01 0.00 0.00 57.07 57.69 2b8k s TYR 137 Cb -0.17 -3.67 -0.01 0.00 -0.11 0.00 0.00 41.96 38.00 2b8k s TYR 137 CO -0.05 -2.13 0.42 -0.51 -1.11 0.00 0.00 175.55 172.17 2b8k s LEU 138 N -2.57 3.71 0.48 -1.29 1.43 0.19 -4.95 118.68 115.68 2b8k s LEU 138 Ca 0.59 -0.41 0.24 0.00 -1.03 0.00 0.00 54.13 53.52 2b8k s LEU 138 Cb -0.38 -2.47 1.29 0.00 0.03 0.00 0.00 46.19 44.66 2b8k s LEU 138 CO 0.48 -0.51 1.89 1.55 0.23 0.00 0.00 176.35 179.99 2b8k h PRO 139 N 0.96 0.18 -0.07 1.29 0.13 -1.96 -0.63 132.00 131.91 2b8k h PRO 139 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2b8k h PRO 139 Cb 1.26 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2b8k h PRO 139 CO 0.53 0.12 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 2b8k n ASP 140 N -4.40 2.04 0.00 1.44 5.68 -1.26 -4.96 116.55 115.10 2b8k n ASP 140 Ca 0.17 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 2b8k n ASP 140 Cb 0.78 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 2b8k n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2b8k n GLY 141 N 1.24 2.10 3.71 6.12 0.00 -0.24 -5.04 105.19 113.07 2b8k n GLY 141 Ca 0.17 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2b8k n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b8k s SER 142 N -0.13 3.73 0.25 1.61 1.04 -1.26 -4.49 113.70 114.44 2b8k s SER 142 Ca 0.00 2.18 0.01 0.00 0.48 0.00 0.00 55.95 58.62 2b8k s SER 142 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2b8k s SER 142 CO 0.00 -2.56 0.10 0.72 0.98 0.00 0.00 173.24 172.48 2b8k s PHE 143 N -2.44 1.48 -0.00 5.02 -0.12 -1.26 0.55 117.98 121.20 2b8k s PHE 143 Ca 0.69 -1.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 2b8k s PHE 143 Cb -0.24 -0.85 -0.01 0.00 -0.63 0.00 0.00 43.02 41.29 2b8k s PHE 143 CO 0.52 -0.39 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.97 2b8k s GLU 144 N -4.05 0.99 -0.22 1.99 2.02 -0.82 -3.29 118.70 115.32 2b8k s GLU 144 Ca 0.38 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 2b8k s GLU 144 Cb 0.08 -0.97 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 2b8k s GLU 144 CO 0.13 0.26 -0.04 -0.51 0.02 0.00 0.00 175.26 175.12 2b8k s ASP 145 N -0.45 4.31 0.17 -0.19 1.11 -1.26 0.46 116.67 120.81 2b8k s ASP 145 Ca 0.04 -0.39 0.11 0.00 0.18 0.00 0.00 52.55 52.49 2b8k s ASP 145 Cb -0.05 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 2b8k s ASP 145 CO -0.00 -0.02 -0.23 0.26 1.18 0.00 0.00 175.17 176.36 2b8k s TRP 146 N 1.48 2.35 0.05 4.23 0.52 -1.03 -4.99 118.94 121.56 2b8k s TRP 146 Ca 0.06 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.86 2b8k s TRP 146 Cb -0.14 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 2b8k s TRP 146 CO -0.03 0.45 0.03 -1.54 0.02 0.00 0.00 176.95 175.88 2b8k s SER 147 N -2.49 5.27 0.47 2.95 1.04 -1.26 -0.24 113.70 119.42 2b8k s SER 147 Ca 0.19 -0.05 0.21 0.00 0.48 0.00 0.00 55.95 56.78 2b8k s SER 147 Cb -0.09 -1.36 1.20 0.00 0.10 0.00 0.00 66.02 65.87 2b8k s SER 147 CO 0.09 0.21 1.92 -0.37 0.98 0.00 0.00 173.24 176.08 2b8k h VAL 148 N 2.98 0.72 0.00 5.02 -1.51 -1.71 -1.42 116.25 120.34 2b8k h VAL 148 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2b8k h VAL 148 Cb 1.17 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2b8k h VAL 148 CO 0.61 0.05 0.00 1.21 -1.23 0.00 0.00 177.57 178.21 2b8k n GLU 149 N -4.43 0.00 0.00 5.19 2.13 -1.26 -3.88 120.64 118.39 2b8k n GLU 149 Ca 0.15 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2b8k n GLU 149 Cb 0.64 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.89 2b8k n GLU 149 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2b8k n GLU 150 N -2.24 0.00 -0.86 5.31 1.02 -0.58 -4.76 120.64 118.53 2b8k n GLU 150 Ca 0.00 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.46 2b8k n GLU 150 Cb 0.00 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 2b8k n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2b8k n LEU 151 N -2.08 0.29 -4.76 -4.62 4.77 -0.91 -4.89 117.00 104.80 2b8k n LEU 151 Ca 0.00 0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 56.22 2b8k n LEU 151 Cb 0.00 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2b8k n LEU 151 CO 0.00 -0.76 0.65 -0.63 -1.33 0.00 0.00 177.39 175.32 2b8k s ILE 152 N 0.72 4.12 -0.52 -0.08 1.01 -0.91 -4.78 121.20 120.76 2b8k s ILE 152 Ca 0.52 2.00 0.01 0.00 0.00 0.00 0.00 60.65 63.18 2b8k s ILE 152 Cb -0.73 -4.22 0.13 0.00 0.01 0.00 0.00 42.46 37.65 2b8k s ILE 152 CO 0.36 0.38 0.28 -0.69 0.00 0.00 0.00 174.94 175.28 2b8k s VAL 153 N -1.33 2.99 0.00 2.92 1.01 -1.26 -1.40 120.40 123.33 2b8k s VAL 153 Ca 0.44 -2.94 0.00 0.00 0.00 0.00 0.00 61.98 59.48 2b8k s VAL 153 Cb -0.24 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2b8k s VAL 153 CO 0.29 -0.79 0.00 -0.67 0.00 0.00 0.00 175.10 173.94 2b8k n ASP 154 N 3.54 0.00 0.00 3.32 -0.08 -1.26 -5.08 116.55 116.98 2b8k n ASP 154 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2b8k n ASP 154 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2b8k n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50