#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b63 n ALA 73 N 0.00 -1.06 -2.46 7.82 0.00 -1.26 -5.01 120.51 118.53 2b63 n ALA 73 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2b63 n ALA 73 Cb 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 2b63 n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2b63 s ILE 74 N -2.55 2.63 0.35 0.00 -1.09 -1.01 -4.82 121.20 114.70 2b63 s ILE 74 Ca 0.00 -1.76 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 2b63 s ILE 74 Cb 0.00 -2.24 -0.09 0.00 -1.58 0.00 0.00 42.46 38.55 2b63 s ILE 74 CO 0.00 -0.01 0.79 -2.16 -1.23 0.00 0.00 174.94 172.33 2b63 s PRO 75 N -2.43 4.07 0.41 2.79 0.04 -1.26 -4.79 135.00 133.84 2b63 s PRO 75 Ca 0.19 0.79 0.20 0.00 0.04 0.00 0.00 61.00 62.23 2b63 s PRO 75 Cb -0.09 -2.38 1.14 0.00 0.04 0.00 0.00 34.50 33.21 2b63 s PRO 75 CO 0.10 0.12 1.77 -0.22 0.04 0.00 0.00 177.00 178.81 2b63 h LYS 76 N 2.20 0.35 -6.94 4.56 3.64 -2.00 -3.33 116.57 115.06 2b63 h LYS 76 Ca -0.48 -0.02 -0.46 0.00 -1.27 0.00 0.00 60.65 58.42 2b63 h LYS 76 Cb 1.18 -0.08 0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2b63 h LYS 76 CO 0.64 0.23 0.05 0.34 -2.27 0.00 0.00 179.45 178.44 2b63 s ASP 77 N -5.23 5.55 0.00 4.20 -1.08 -1.26 -3.66 116.67 115.19 2b63 s ASP 77 Ca -0.08 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 2b63 s ASP 77 Cb 0.25 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.26 2b63 s ASP 77 CO 0.80 -1.00 0.00 0.00 0.52 0.00 0.00 175.17 175.49 2b63 n GLN 78 N -2.39 0.00 -1.61 4.34 6.02 -1.26 -4.97 117.38 117.51 2b63 n GLN 78 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 2b63 n GLN 78 Cb 0.58 -2.89 0.03 0.00 1.02 0.00 0.00 30.24 28.98 2b63 n GLN 78 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2b63 n ARG 79 N -2.00 1.17 0.00 -1.09 3.00 -1.24 -4.94 116.66 111.56 2b63 n ARG 79 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2b63 n ARG 79 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.34 2b63 n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2b63 n ALA 80 N -1.08 0.66 -1.22 5.13 0.00 -1.26 -5.11 120.51 117.63 2b63 n ALA 80 Ca 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2b63 n ALA 80 Cb 0.43 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.04 2b63 n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b63 n THR 81 N -0.13 0.00 -2.51 0.00 -2.24 -1.26 -4.99 114.28 103.14 2b63 n THR 81 Ca 0.00 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 2b63 n THR 81 Cb 0.10 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 66.97 2b63 n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2b63 s THR 82 N -2.50 3.65 -1.08 4.28 2.01 -1.26 -4.90 115.64 115.83 2b63 s THR 82 Ca 0.48 1.59 0.23 0.00 0.31 0.00 0.00 61.69 64.30 2b63 s THR 82 Cb -0.04 -4.01 0.23 0.00 0.01 0.00 0.00 72.50 68.69 2b63 s THR 82 CO 0.36 0.35 1.74 -2.65 -0.69 0.00 0.00 174.62 173.72 2b63 n PRO 83 N 1.55 0.06 -2.74 4.92 -0.02 -1.26 -4.80 135.00 132.72 2b63 n PRO 83 Ca -0.00 0.10 -0.20 0.00 -2.02 0.00 0.00 63.50 61.38 2b63 n PRO 83 Cb 0.45 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.47 2b63 n PRO 83 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2b63 s TYR 84 N -2.92 2.64 -0.23 6.00 1.51 -1.26 -2.06 117.35 121.03 2b63 s TYR 84 Ca 0.13 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 2b63 s TYR 84 Cb 0.15 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 2b63 s TYR 84 CO 0.40 -0.87 0.17 1.41 -1.11 0.00 0.00 175.55 175.55 2b63 s MET 85 N -4.70 4.10 0.45 -0.62 1.75 -0.88 -4.72 119.30 114.68 2b63 s MET 85 Ca 0.58 -0.23 -0.24 0.00 -1.25 0.00 0.00 55.69 54.54 2b63 s MET 85 Cb -0.10 -3.51 -0.08 0.00 2.84 0.00 0.00 34.83 33.99 2b63 s MET 85 CO 0.38 0.11 1.31 0.95 -0.65 0.00 0.00 175.02 177.12 2b63 s THR 86 N 0.91 2.49 0.55 10.11 -4.23 -1.26 -4.82 115.64 119.39 2b63 s THR 86 Ca 0.08 0.41 0.26 0.00 -1.18 0.00 0.00 61.69 61.26 2b63 s THR 86 Cb -0.13 -3.23 0.38 0.00 1.34 0.00 0.00 72.50 70.86 2b63 s THR 86 CO 0.03 0.04 2.02 0.07 -0.54 0.00 0.00 174.62 176.24 2b63 h LYS 87 N 2.26 0.00 -0.01 3.99 2.10 -2.00 0.16 116.57 123.07 2b63 h LYS 87 Ca -0.50 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 57.96 2b63 h LYS 87 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2b63 h LYS 87 CO 0.61 0.00 -0.83 1.88 -2.00 0.00 0.00 179.45 179.11 2b63 h TYR 88 N 0.00 0.26 0.48 0.07 -1.99 -1.99 -2.36 116.97 111.44 2b63 h TYR 88 Ca 0.19 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2b63 h TYR 88 Cb 0.84 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.54 2b63 h TYR 88 CO 0.00 0.93 -0.23 0.93 -0.00 0.00 0.00 178.16 179.78 2b63 h GLU 89 N 0.10 -0.63 -0.79 4.88 5.08 -1.06 -1.88 114.58 120.28 2b63 h GLU 89 Ca -0.03 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2b63 h GLU 89 Cb 1.44 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.75 2b63 h GLU 89 CO 0.12 -0.33 0.42 0.07 -1.00 0.00 0.00 179.01 178.29 2b63 h ARG 90 N -1.05 0.64 -0.59 2.33 0.11 -1.44 0.35 114.38 114.74 2b63 h ARG 90 Ca -0.07 -0.04 0.06 0.00 0.10 0.00 0.00 59.98 60.03 2b63 h ARG 90 Cb 0.58 -0.15 -0.05 0.00 1.11 0.00 0.00 29.97 31.46 2b63 h ARG 90 CO 0.11 0.43 0.30 0.00 0.10 0.00 0.00 179.97 180.91 2b63 h ALA 91 N 1.48 0.77 0.00 0.08 0.00 -1.40 -0.80 119.26 119.40 2b63 h ALA 91 Ca 0.40 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2b63 h ALA 91 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2b63 h ALA 91 CO -0.30 -0.04 -0.59 -0.09 0.00 0.00 0.00 179.25 178.24 2b63 h ARG 92 N 0.57 0.00 0.05 0.00 2.43 0.04 -1.99 114.38 115.48 2b63 h ARG 92 Ca 0.26 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2b63 h ARG 92 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2b63 h ARG 92 CO -0.18 0.59 -0.02 0.82 -1.51 0.00 0.00 179.97 179.66 2b63 h ILE 93 N 0.00 1.25 -0.56 1.20 2.04 0.26 0.13 117.51 121.82 2b63 h ILE 93 Ca -0.01 -1.03 0.11 0.00 1.00 0.00 0.00 64.86 64.93 2b63 h ILE 93 Cb 1.15 1.93 -0.09 0.00 -0.74 0.00 0.00 36.82 39.07 2b63 h ILE 93 CO 0.08 0.26 0.07 -0.07 0.00 0.00 0.00 178.15 178.49 2b63 h LEU 94 N -0.53 -0.10 0.00 1.44 3.38 -1.18 0.43 115.31 118.76 2b63 h LEU 94 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2b63 h LEU 94 Cb 0.47 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2b63 h LEU 94 CO 0.01 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2b63 n GLY 95 N -1.32 -2.60 0.34 0.83 0.00 -0.75 -0.41 105.19 101.28 2b63 n GLY 95 Ca 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 2b63 n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2b63 h THR 96 N 0.00 0.16 -0.06 2.61 2.02 -0.52 0.30 112.91 117.42 2b63 h THR 96 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2b63 h THR 96 Cb 0.00 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.52 2b63 h THR 96 CO 0.00 0.00 -0.36 -0.09 0.37 0.00 0.00 175.52 175.44 2b63 h ARG 97 N -0.11 -0.46 -0.27 6.66 9.65 -0.12 -1.55 114.38 128.19 2b63 h ARG 97 Ca 0.27 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.25 2b63 h ARG 97 Cb 0.56 0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.16 2b63 h ARG 97 CO -0.74 -0.31 -0.31 0.00 2.80 0.00 0.00 179.97 181.42 2b63 h ALA 98 N 0.22 -0.25 -0.81 2.80 0.00 0.10 -0.57 119.26 120.76 2b63 h ALA 98 Ca 0.07 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.23 2b63 h ALA 98 Cb 0.59 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2b63 h ALA 98 CO -0.32 -0.74 -0.10 1.25 0.00 0.00 0.00 179.25 179.33 2b63 h LEU 99 N -0.31 -0.58 -0.05 0.00 5.85 -0.09 0.64 115.31 120.77 2b63 h LEU 99 Ca 0.14 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 2b63 h LEU 99 Cb 0.53 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2b63 h LEU 99 CO -0.44 -0.25 0.02 1.56 -0.34 0.00 0.00 178.44 178.99 2b63 h GLN 100 N 0.04 0.08 -0.90 1.25 4.20 -0.33 -1.25 115.11 118.19 2b63 h GLN 100 Ca 0.42 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.25 2b63 h GLN 100 Cb 0.71 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 2b63 h GLN 100 CO -0.78 0.21 0.58 0.82 -0.67 0.00 0.00 178.83 178.98 2b63 h ILE 101 N -0.07 0.86 0.00 2.54 2.04 0.74 0.60 117.51 124.22 2b63 h ILE 101 Ca 0.02 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2b63 h ILE 101 Cb 0.16 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2b63 h ILE 101 CO -0.00 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 2b63 n SER 102 N -4.56 0.00 -1.02 1.72 3.41 0.20 -2.33 113.62 111.03 2b63 n SER 102 Ca 0.17 -0.07 0.09 0.00 -0.26 0.00 0.00 58.87 58.80 2b63 n SER 102 Cb 0.43 -0.30 0.24 0.00 -0.26 0.00 0.00 64.21 64.32 2b63 n SER 102 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2b63 n MET 103 N -1.30 2.70 -0.87 4.33 2.81 0.20 -4.92 117.12 120.07 2b63 n MET 103 Ca 0.13 -2.34 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 2b63 n MET 103 Cb 0.22 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2b63 n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2b63 n ASN 104 N 1.15 -1.99 -4.78 7.83 3.02 -0.96 -5.04 115.26 114.48 2b63 n ASN 104 Ca 0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 2b63 n ASN 104 Cb 0.53 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2b63 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b63 s ALA 105 N -2.00 2.50 0.39 5.41 0.00 -0.35 -4.98 121.76 122.73 2b63 s ALA 105 Ca 0.00 0.44 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 2b63 s ALA 105 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2b63 s ALA 105 CO 0.00 -1.26 1.23 -2.14 0.00 0.00 0.00 175.76 173.59 2b63 s PRO 106 N -4.29 4.07 -0.21 0.00 0.02 -1.26 -4.63 135.00 128.70 2b63 s PRO 106 Ca 0.65 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.59 2b63 s PRO 106 Cb -0.19 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 2b63 s PRO 106 CO 0.44 -0.35 0.08 0.08 -0.33 0.00 0.00 177.00 176.91 2b63 s VAL 107 N -1.31 4.74 -1.22 3.83 1.01 -1.26 -4.95 120.40 121.25 2b63 s VAL 107 Ca 0.56 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.60 2b63 s VAL 107 Cb -0.35 -3.17 0.43 0.00 0.00 0.00 0.00 36.38 33.29 2b63 s VAL 107 CO 0.44 0.41 1.26 0.49 0.00 0.00 0.00 175.10 177.70 2b63 n PHE 108 N 4.01 0.91 -4.22 5.22 3.01 -1.26 -4.89 117.46 120.24 2b63 n PHE 108 Ca -0.16 -0.35 -0.16 0.00 1.01 0.00 0.00 57.45 57.79 2b63 n PHE 108 Cb 0.52 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.70 2b63 n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2b63 s VAL 109 N -1.75 1.15 -0.19 -4.37 1.01 -1.26 -4.99 120.40 110.00 2b63 s VAL 109 Ca 0.30 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 2b63 s VAL 109 Cb 0.20 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2b63 s VAL 109 CO 0.14 -0.57 1.41 -1.81 0.00 0.00 0.00 175.10 174.26 2b63 s ASP 110 N -2.69 6.72 -0.32 3.32 1.01 -1.26 -4.93 116.67 118.52 2b63 s ASP 110 Ca 0.10 1.66 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 2b63 s ASP 110 Cb -0.02 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2b63 s ASP 110 CO 0.01 -0.96 1.34 -0.76 0.21 0.00 0.00 175.17 175.01 2b63 s LEU 111 N 4.12 3.81 0.00 1.23 1.02 -1.26 -4.79 118.68 122.82 2b63 s LEU 111 Ca 0.61 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.90 2b63 s LEU 111 Cb -0.23 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.44 2b63 s LEU 111 CO 0.22 -1.17 0.61 1.21 0.02 0.00 0.00 176.35 177.24 2b63 n GLU 112 N 7.50 0.82 0.00 1.70 2.13 -1.26 -4.60 120.64 126.93 2b63 n GLU 112 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2b63 n GLU 112 Cb 0.47 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.93 2b63 n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b63 n GLY 113 N 0.34 0.95 3.42 8.31 0.00 -1.26 -5.10 105.19 111.85 2b63 n GLY 113 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2b63 n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b63 n GLU 114 N -0.80 -0.75 0.00 1.61 -0.58 -1.26 -4.97 120.64 113.88 2b63 n GLU 114 Ca 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2b63 n GLU 114 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 2b63 n GLU 114 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2b63 n THR 115 N -3.95 0.00 -2.71 2.62 -2.24 -1.26 -5.03 114.28 101.71 2b63 n THR 115 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 2b63 n THR 115 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 2b63 n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b63 s ASP 116 N -0.08 7.22 0.12 3.42 -1.08 -1.26 -4.97 116.67 120.05 2b63 s ASP 116 Ca 0.00 1.50 -0.26 0.00 -0.52 0.00 0.00 52.55 53.28 2b63 s ASP 116 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 2b63 s ASP 116 CO 0.00 -0.43 1.63 1.55 0.52 0.00 0.00 175.17 178.44 2b63 h PRO 117 N 7.10 -0.37 -0.19 4.34 0.13 -1.95 -1.51 132.00 139.55 2b63 h PRO 117 Ca -0.31 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 2b63 h PRO 117 Cb 1.15 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2b63 h PRO 117 CO 0.85 -0.25 0.27 1.25 -0.23 0.00 0.00 178.00 179.89 2b63 h LEU 118 N -0.39 0.00 0.53 1.56 5.85 -1.91 0.21 115.31 121.16 2b63 h LEU 118 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2b63 h LEU 118 Cb 0.48 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.51 2b63 h LEU 118 CO -0.24 0.00 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.52 2b63 h ARG 119 N 0.00 -0.68 -1.00 1.25 9.65 -1.69 -1.69 114.38 120.21 2b63 h ARG 119 Ca 0.09 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.21 2b63 h ARG 119 Cb 0.64 0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 29.26 2b63 h ARG 119 CO -0.00 -0.41 0.61 0.82 2.80 0.00 0.00 179.97 183.79 2b63 h ILE 120 N -1.14 0.69 0.73 1.20 2.04 -0.74 0.11 117.51 120.40 2b63 h ILE 120 Ca -0.07 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2b63 h ILE 120 Cb 0.58 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2b63 h ILE 120 CO 0.12 0.13 -0.50 0.00 0.00 0.00 0.00 178.15 177.91 2b63 h ALA 121 N 1.65 -1.25 -0.99 1.87 0.00 -0.62 0.79 119.26 120.72 2b63 h ALA 121 Ca 0.58 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.49 2b63 h ALA 121 Cb 0.94 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 2b63 h ALA 121 CO -0.38 -1.22 0.64 0.52 0.00 0.00 0.00 179.25 178.80 2b63 h MET 122 N -1.16 0.44 0.04 0.00 2.86 -0.07 0.22 114.93 117.25 2b63 h MET 122 Ca -0.10 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2b63 h MET 122 Cb 0.95 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2b63 h MET 122 CO 0.07 0.29 -0.02 -0.22 1.06 0.00 0.00 176.91 178.09 2b63 h LYS 123 N 0.45 -0.05 -0.42 1.72 3.64 0.04 -1.28 116.57 120.67 2b63 h LYS 123 Ca 0.55 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 60.02 2b63 h LYS 123 Cb 1.30 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.05 2b63 h LYS 123 CO -0.26 0.33 -0.14 0.93 -2.27 0.00 0.00 179.45 178.03 2b63 h GLU 124 N -0.44 -0.05 0.00 1.90 5.08 0.36 0.02 114.58 121.45 2b63 h GLU 124 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b63 h GLU 124 Cb 0.40 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2b63 h GLU 124 CO 0.01 -0.03 -0.02 1.25 -1.00 0.00 0.00 179.01 179.22 2b63 h LEU 125 N -0.05 0.00 0.00 1.33 5.85 -0.81 -1.94 115.31 119.69 2b63 h LEU 125 Ca 0.20 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.71 2b63 h LEU 125 Cb 0.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2b63 h LEU 125 CO -0.46 0.02 -1.07 0.00 -0.34 0.00 0.00 178.44 176.59 2b63 h ALA 126 N 1.98 0.41 -0.62 1.25 0.00 0.22 -3.19 119.26 119.32 2b63 h ALA 126 Ca -0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 54.91 53.82 2b63 h ALA 126 Cb 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2b63 h ALA 126 CO 0.00 1.27 0.14 0.39 0.00 0.00 0.00 179.25 181.05 2b63 n GLU 127 N -3.31 3.92 -3.45 0.00 1.02 -0.79 -4.93 120.64 113.09 2b63 n GLU 127 Ca -0.02 -3.10 -0.18 0.00 -0.02 0.00 0.00 57.16 53.84 2b63 n GLU 127 Cb 0.95 -2.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 2b63 n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2b63 n LYS 128 N -0.01 -0.95 -1.94 3.49 5.02 -0.91 -4.81 118.16 118.05 2b63 n LYS 128 Ca 0.35 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.43 2b63 n LYS 128 Cb 1.26 -2.08 0.03 0.00 -0.02 0.00 0.00 35.03 34.22 2b63 n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2b63 n LYS 129 N -2.89 3.45 -3.80 1.97 5.02 -0.81 -4.69 118.16 116.41 2b63 n LYS 129 Ca -0.14 -4.05 -0.36 0.00 -2.02 0.00 0.00 58.31 51.74 2b63 n LYS 129 Cb 0.36 -2.28 -0.13 0.00 -0.02 0.00 0.00 35.03 32.96 2b63 n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2b63 s ILE 130 N -4.71 3.92 0.00 -0.18 1.01 -1.26 -4.72 121.20 115.26 2b63 s ILE 130 Ca 0.53 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 2b63 s ILE 130 Cb 0.43 -2.89 -0.17 0.00 0.01 0.00 0.00 42.46 39.83 2b63 s ILE 130 CO 0.01 0.27 2.63 -0.81 0.00 0.00 0.00 174.94 177.04 2b63 n PRO 131 N 4.87 1.37 -4.51 2.79 -0.04 -1.26 -4.65 135.00 133.58 2b63 n PRO 131 Ca -0.16 -0.64 -0.26 0.00 -0.04 0.00 0.00 63.50 62.40 2b63 n PRO 131 Cb 0.50 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 2b63 n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b63 s LEU 132 N 0.00 2.81 -0.05 1.53 1.43 -1.26 -5.07 118.68 118.07 2b63 s LEU 132 Ca 0.43 -1.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2b63 s LEU 132 Cb 0.20 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2b63 s LEU 132 CO 0.00 -0.26 -0.03 -0.69 0.23 0.00 0.00 176.35 175.60 2b63 s VAL 133 N -2.61 0.48 -0.27 -1.59 1.01 -1.26 -2.47 120.40 113.70 2b63 s VAL 133 Ca 0.34 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2b63 s VAL 133 Cb 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2b63 s VAL 133 CO 0.17 0.22 0.47 -0.63 0.00 0.00 0.00 175.10 175.33 2b63 s ILE 134 N 1.09 5.10 -0.32 2.22 1.01 0.82 -4.94 121.20 126.18 2b63 s ILE 134 Ca -0.08 0.73 -0.12 0.00 0.00 0.00 0.00 60.65 61.17 2b63 s ILE 134 Cb -0.14 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2b63 s ILE 134 CO -0.01 0.09 0.23 -0.60 0.00 0.00 0.00 174.94 174.65 2b63 s ARG 135 N 2.23 3.63 -0.47 2.79 3.52 -1.26 -1.29 118.95 128.11 2b63 s ARG 135 Ca 0.19 -0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 55.09 2b63 s ARG 135 Cb -0.16 -3.76 0.06 0.00 -1.56 0.00 0.00 34.95 29.53 2b63 s ARG 135 CO 0.10 -0.37 0.43 1.03 -0.81 0.00 0.00 175.30 175.67 2b63 s ARG 136 N 1.75 3.01 0.11 5.12 0.52 0.14 -4.91 118.95 124.69 2b63 s ARG 136 Ca 0.07 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 2b63 s ARG 136 Cb -0.17 -4.10 -0.07 0.00 0.52 0.00 0.00 34.95 31.14 2b63 s ARG 136 CO 0.11 -1.02 1.18 0.71 0.02 0.00 0.00 175.30 176.30 2b63 s TYR 137 N 1.85 3.46 0.45 -0.53 1.51 -1.26 -1.46 117.35 121.38 2b63 s TYR 137 Ca 0.07 1.38 -0.00 0.00 -1.01 0.00 0.00 57.07 57.50 2b63 s TYR 137 Cb -0.22 -3.40 -0.01 0.00 -0.11 0.00 0.00 41.96 38.22 2b63 s TYR 137 CO 0.08 -1.14 0.68 -0.51 -1.11 0.00 0.00 175.55 173.56 2b63 s LEU 138 N 0.52 3.66 0.20 -1.29 1.43 0.47 -4.99 118.68 118.68 2b63 s LEU 138 Ca 0.56 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 2b63 s LEU 138 Cb -0.30 -3.25 0.24 0.00 0.03 0.00 0.00 46.19 42.91 2b63 s LEU 138 CO 0.32 -0.67 1.69 1.55 0.23 0.00 0.00 176.35 179.46 2b63 h PRO 139 N 0.39 0.16 0.00 1.29 0.13 -1.97 -1.72 132.00 130.28 2b63 h PRO 139 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2b63 h PRO 139 Cb 1.25 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2b63 h PRO 139 CO 0.58 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 2b63 n ASP 140 N -5.21 0.60 0.00 1.44 5.75 -1.26 -4.88 116.55 113.00 2b63 n ASP 140 Ca 0.07 0.68 0.00 0.00 -0.01 0.00 0.00 54.79 55.53 2b63 n ASP 140 Cb 0.30 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2b63 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b63 n GLY 141 N -0.34 1.73 3.69 6.12 0.00 -0.65 -5.05 105.19 110.69 2b63 n GLY 141 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2b63 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b63 s SER 142 N -1.60 2.30 0.04 1.61 1.04 -1.26 -4.40 113.70 111.43 2b63 s SER 142 Ca 0.00 0.92 -0.20 0.00 0.48 0.00 0.00 55.95 57.15 2b63 s SER 142 Cb 0.00 -1.42 0.04 0.00 0.10 0.00 0.00 66.02 64.75 2b63 s SER 142 CO 0.00 -3.30 0.47 0.72 0.98 0.00 0.00 173.24 172.11 2b63 s PHE 143 N -3.09 -0.35 -0.06 5.02 -0.12 -1.26 -0.39 117.98 117.72 2b63 s PHE 143 Ca 0.67 0.37 0.02 0.00 -0.05 0.00 0.00 56.93 57.95 2b63 s PHE 143 Cb -0.15 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2b63 s PHE 143 CO 0.56 -0.60 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.80 2b63 s GLU 144 N -2.37 2.67 -0.18 1.99 2.02 -0.53 -2.41 118.70 119.89 2b63 s GLU 144 Ca -0.06 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 2b63 s GLU 144 Cb -0.01 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2b63 s GLU 144 CO -0.01 0.59 0.05 -0.51 0.02 0.00 0.00 175.26 175.39 2b63 s ASP 145 N -0.62 5.54 0.02 -0.19 1.11 -1.26 0.26 116.67 121.53 2b63 s ASP 145 Ca 0.09 0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.92 2b63 s ASP 145 Cb -0.11 -1.94 -0.01 0.00 1.07 0.00 0.00 42.92 41.92 2b63 s ASP 145 CO 0.01 0.18 -0.11 0.26 1.18 0.00 0.00 175.17 176.69 2b63 s TRP 146 N 0.36 0.96 0.22 4.23 0.52 -0.41 -4.97 118.94 119.85 2b63 s TRP 146 Ca 0.02 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.89 2b63 s TRP 146 Cb -0.13 -0.59 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 2b63 s TRP 146 CO 0.00 -0.00 0.38 -1.54 0.02 0.00 0.00 176.95 175.80 2b63 s SER 147 N -0.74 6.34 0.20 2.95 1.04 -1.26 -0.13 113.70 122.10 2b63 s SER 147 Ca 0.01 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.56 2b63 s SER 147 Cb -0.06 -1.94 0.14 0.00 0.10 0.00 0.00 66.02 64.26 2b63 s SER 147 CO 0.00 -0.06 1.86 0.58 0.98 0.00 0.00 173.24 176.60 2b63 h VAL 148 N 1.32 1.14 -0.65 5.02 2.07 -1.75 -2.24 116.25 121.17 2b63 h VAL 148 Ca -0.50 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 66.85 2b63 h VAL 148 Cb 1.21 0.19 -0.12 0.00 -1.52 0.00 0.00 31.29 31.05 2b63 h VAL 148 CO 0.65 0.16 -0.18 -0.08 0.02 0.00 0.00 177.57 178.13 2b63 h GLU 149 N 0.88 -0.02 -0.27 1.57 4.81 -1.83 -2.87 114.58 116.84 2b63 h GLU 149 Ca 0.25 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2b63 h GLU 149 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2b63 h GLU 149 CO -0.07 -0.01 -0.06 0.93 -0.73 0.00 0.00 179.01 179.06 2b63 h GLU 150 N -0.02 0.52 -7.02 1.92 5.08 -1.81 -3.46 114.58 109.80 2b63 h GLU 150 Ca 0.31 -0.20 -0.55 0.00 -1.00 0.00 0.00 59.36 57.92 2b63 h GLU 150 Cb 0.49 -0.03 0.13 0.00 0.50 0.00 0.00 28.75 29.85 2b63 h GLU 150 CO -0.68 0.73 0.65 1.28 -1.00 0.00 0.00 179.01 179.99 2b63 n LEU 151 N -4.53 5.38 -4.78 1.33 4.77 -1.04 -4.99 117.00 113.15 2b63 n LEU 151 Ca -0.03 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.59 2b63 n LEU 151 Cb 0.31 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 2b63 n LEU 151 CO 0.40 -0.40 0.41 -0.63 -1.33 0.00 0.00 177.39 175.84 2b63 s ILE 152 N -1.25 4.54 -0.87 -0.08 1.01 -0.88 -4.90 121.20 118.79 2b63 s ILE 152 Ca 0.67 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.86 2b63 s ILE 152 Cb -0.43 -4.06 0.27 0.00 0.01 0.00 0.00 42.46 38.26 2b63 s ILE 152 CO 0.53 0.51 1.09 1.33 0.00 0.00 0.00 174.94 178.40 2b63 n VAL 153 N 1.83 3.80 0.00 2.92 0.24 -1.26 -2.07 118.33 123.79 2b63 n VAL 153 Ca -0.07 -5.55 0.00 0.00 -2.04 0.00 0.00 64.34 56.69 2b63 n VAL 153 Cb 0.50 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 2b63 n VAL 153 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2b63 n ASP 154 N 1.20 0.00 0.00 -1.34 -0.08 -1.26 -5.09 116.55 109.98 2b63 n ASP 154 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2b63 n ASP 154 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2b63 n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50