#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct s ALA 44 N 0.00 3.40 -0.57 3.04 0.00 -1.26 -5.02 121.76 121.35 2kct s ALA 44 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.82 2kct s ALA 44 Cb 0.00 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 20.07 2kct s ALA 44 CO 0.00 -1.57 0.34 0.99 0.00 0.00 0.00 175.76 175.52 2kct s THR 45 N 2.63 3.03 -0.77 0.00 2.01 -1.26 -5.06 115.64 116.22 2kct s THR 45 Ca 0.21 -3.22 -0.25 0.00 0.31 0.00 0.00 61.69 58.73 2kct s THR 45 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2kct s THR 45 CO 0.16 -0.84 1.90 -2.16 -0.69 0.00 0.00 174.62 173.00 2kct s PRO 46 N -0.25 2.59 0.03 4.92 0.04 -1.26 -4.82 135.00 136.25 2kct s PRO 46 Ca 0.17 0.12 0.15 0.00 0.04 0.00 0.00 61.00 61.48 2kct s PRO 46 Cb -0.23 -4.75 0.62 0.00 0.04 0.00 0.00 34.50 30.17 2kct s PRO 46 CO -0.02 -3.08 1.46 1.04 0.04 0.00 0.00 177.00 176.45 2kct n GLN 47 N 9.01 0.02 -1.99 4.56 6.02 -1.26 -4.26 117.38 129.48 2kct n GLN 47 Ca 0.31 0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 57.24 2kct n GLN 47 Cb 0.49 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 30.16 2kct n GLN 47 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2kct n ASP 48 N -1.59 3.38 -0.13 1.08 8.00 -1.26 -4.64 116.55 121.39 2kct n ASP 48 Ca 0.03 -2.75 0.13 0.00 0.71 0.00 0.00 54.79 52.92 2kct n ASP 48 Cb 0.16 -1.63 0.45 0.00 -0.02 0.00 0.00 41.12 40.09 2kct n ASP 48 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kct n LYS 49 N 7.97 0.55 -2.38 -1.24 5.02 -1.26 -4.64 118.16 122.18 2kct n LYS 49 Ca 0.47 -0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.07 2kct n LYS 49 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2kct n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kct n LEU 50 N -1.00 5.52 -3.61 -0.35 4.32 -1.26 -4.84 117.00 115.78 2kct n LEU 50 Ca 0.11 -4.05 -0.12 0.00 -0.02 0.00 0.00 56.01 51.93 2kct n LEU 50 Cb 0.32 -1.71 -0.07 0.00 -1.62 0.00 0.00 43.42 40.35 2kct n LEU 50 CO 0.27 0.49 0.59 -1.38 -1.22 0.00 0.00 177.39 176.14 2kct s HIS 51 N 3.60 -0.60 -0.16 -1.77 -3.43 -1.26 -5.13 115.29 106.54 2kct s HIS 51 Ca 0.51 1.34 -0.29 0.00 -0.80 0.00 0.00 55.06 55.82 2kct s HIS 51 Cb 0.06 0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 2kct s HIS 51 CO 0.03 -0.35 1.52 0.99 -2.00 0.00 0.00 174.74 174.92 2kct s THR 52 N -0.12 3.83 -0.21 -5.38 2.01 -1.26 -4.61 115.64 109.90 2kct s THR 52 Ca -0.01 0.98 -0.12 0.00 0.31 0.00 0.00 61.69 62.85 2kct s THR 52 Cb -0.04 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kct s THR 52 CO -0.00 -0.20 0.20 -0.69 -0.69 0.00 0.00 174.62 173.24 2kct s VAL 53 N 4.39 5.35 -0.10 3.82 1.01 -0.60 -4.92 120.40 129.35 2kct s VAL 53 Ca 0.67 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2kct s VAL 53 Cb -0.26 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2kct s VAL 53 CO 0.25 0.38 -0.13 -0.60 0.00 0.00 0.00 175.10 175.00 2kct s ARG 54 N 0.73 3.03 0.33 2.72 3.52 -1.26 -1.46 118.95 126.55 2kct s ARG 54 Ca 0.11 -0.68 0.10 0.00 -0.13 0.00 0.00 55.73 55.13 2kct s ARG 54 Cb -0.13 -2.54 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 2kct s ARG 54 CO 0.02 0.39 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.28 2kct s LEU 55 N -0.12 2.70 -0.00 -0.88 1.43 -0.35 -5.02 118.68 116.44 2kct s LEU 55 Ca -0.01 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2kct s LEU 55 Cb -0.14 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 2kct s LEU 55 CO 0.03 -0.16 -0.01 -0.36 0.23 0.00 0.00 176.35 176.09 2kct s PHE 56 N -2.60 0.07 -2.96 0.29 0.08 -1.26 -2.61 117.98 108.98 2kct s PHE 56 Ca 0.32 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2kct s PHE 56 Cb 0.01 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 2kct s PHE 56 CO 0.16 -0.00 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 2kct n GLY 57 N 3.08 -0.54 3.31 4.36 0.00 -0.94 -3.40 105.19 111.06 2kct n GLY 57 Ca -0.12 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2kct n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kct s THR 58 N -3.21 1.89 0.09 2.61 2.01 0.08 -0.87 115.64 118.24 2kct s THR 58 Ca 0.00 -1.53 -0.31 0.00 0.31 0.00 0.00 61.69 60.16 2kct s THR 58 Cb 0.00 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.76 2kct s THR 58 CO 0.00 0.06 1.22 -0.69 -0.69 0.00 0.00 174.62 174.52 2kct s VAL 59 N -1.04 3.89 0.05 3.82 1.01 -0.40 -0.90 120.40 126.82 2kct s VAL 59 Ca 0.09 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 2kct s VAL 59 Cb -0.10 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2kct s VAL 59 CO 0.04 0.13 1.21 0.00 0.00 0.00 0.00 175.10 176.48 2kct s ALA 60 N 0.87 3.41 0.04 5.51 0.00 -1.17 -1.43 121.76 128.99 2kct s ALA 60 Ca 0.58 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 53.18 2kct s ALA 60 Cb -0.31 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.21 2kct s ALA 60 CO 0.30 -0.49 1.31 0.00 0.00 0.00 0.00 175.76 176.89 2kct h ALA 61 N 6.90 0.22 -2.45 0.00 0.00 -1.92 -3.40 119.26 118.62 2kct h ALA 61 Ca -0.41 -0.38 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 2kct h ALA 61 Cb 1.21 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2kct h ALA 61 CO 0.82 0.19 0.22 0.34 0.00 0.00 0.00 179.25 180.82 2kct s ASP 62 N -6.29 6.65 0.00 0.00 2.15 -1.26 -4.25 116.67 113.68 2kct s ASP 62 Ca -0.14 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.64 2kct s ASP 62 Cb 0.05 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 2kct s ASP 62 CO 0.77 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 2kct n GLY 63 N 4.02 0.57 2.82 2.66 0.00 -1.26 -4.88 105.19 109.13 2kct n GLY 63 Ca 0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2kct n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 64 N -0.63 0.97 -0.00 0.99 0.20 -1.26 -2.17 118.68 116.78 2kct s LEU 64 Ca 0.00 -0.08 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 2kct s LEU 64 Cb 0.00 -0.38 -0.00 0.00 -0.43 0.00 0.00 46.19 45.38 2kct s LEU 64 CO 0.00 -0.12 0.01 -0.89 -0.29 0.00 0.00 176.35 175.06 2kct s THR 65 N 1.38 0.03 0.11 3.68 2.01 -0.10 -5.02 115.64 117.73 2kct s THR 65 Ca -0.04 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2kct s THR 65 Cb -0.13 -0.11 -0.06 0.00 0.01 0.00 0.00 72.50 72.21 2kct s THR 65 CO -0.02 -0.14 0.38 -0.04 -0.69 0.00 0.00 174.62 174.11 2kct s MET 66 N -0.41 3.67 -0.03 4.92 -1.94 -1.26 -0.84 119.30 123.41 2kct s MET 66 Ca -0.05 0.02 -0.30 0.00 -1.71 0.00 0.00 55.69 53.65 2kct s MET 66 Cb -0.03 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 2kct s MET 66 CO -0.00 0.51 1.41 -0.51 -0.01 0.00 0.00 175.02 176.42 2kct s LEU 67 N -2.34 4.30 -0.22 -0.03 1.43 -0.99 -4.88 118.68 115.95 2kct s LEU 67 Ca 0.37 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 2kct s LEU 67 Cb -0.13 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2kct s LEU 67 CO 0.21 -0.75 0.29 -1.81 0.23 0.00 0.00 176.35 174.52 2kct s ASP 68 N 2.10 6.28 -0.85 2.29 1.11 -1.26 -3.94 116.67 122.39 2kct s ASP 68 Ca 0.64 0.32 0.00 0.00 0.18 0.00 0.00 52.55 53.68 2kct s ASP 68 Cb -0.30 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.52 2kct s ASP 68 CO 0.25 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.19 2kct n GLY 69 N 4.13 0.15 3.64 0.21 0.00 -1.26 -5.02 105.19 107.05 2kct n GLY 69 Ca -0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 2kct n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 70 N -2.46 -2.08 -0.08 4.61 0.00 -1.25 -5.15 121.76 115.36 2kct s ALA 70 Ca 0.00 2.25 -0.30 0.00 0.00 0.00 0.00 51.96 53.91 2kct s ALA 70 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2kct s ALA 70 CO 0.00 -0.35 1.50 -1.25 0.00 0.00 0.00 175.76 175.66 2kct s PRO 71 N 1.29 4.21 0.00 0.00 0.04 -1.26 -4.43 135.00 134.85 2kct s PRO 71 Ca -0.08 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2kct s PRO 71 Cb -0.04 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2kct s PRO 71 CO -0.15 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2kct n GLY 72 N 3.91 -1.33 2.96 0.56 0.00 -0.99 -1.18 105.19 109.12 2kct n GLY 72 Ca 0.16 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2kct n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 73 N -1.99 -0.00 -0.14 1.61 0.11 -0.30 -2.34 120.40 117.36 2kct s VAL 73 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2kct s VAL 73 Cb 0.00 -0.14 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2kct s VAL 73 CO 0.00 0.00 -0.22 -0.60 -3.33 0.00 0.00 175.10 170.96 2kct s ARG 74 N 0.07 3.04 0.14 1.54 3.52 -0.02 -1.43 118.95 125.82 2kct s ARG 74 Ca -0.00 -0.85 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 2kct s ARG 74 Cb -0.01 -2.43 0.02 0.00 -1.56 0.00 0.00 34.95 30.96 2kct s ARG 74 CO 0.00 0.02 0.36 -0.59 -0.81 0.00 0.00 175.30 174.28 2kct s PHE 75 N 0.74 0.03 -0.29 5.12 -0.71 -0.94 -0.93 117.98 121.00 2kct s PHE 75 Ca -0.09 -0.39 -0.11 0.00 -1.04 0.00 0.00 56.93 55.31 2kct s PHE 75 Cb -0.16 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2kct s PHE 75 CO -0.00 -0.73 0.19 -0.98 -1.34 0.00 0.00 175.22 172.37 2kct s ARG 76 N -3.87 3.87 -0.25 1.99 1.70 -0.92 0.30 118.95 121.76 2kct s ARG 76 Ca 0.08 -0.38 -0.29 0.00 -0.47 0.00 0.00 55.73 54.67 2kct s ARG 76 Cb 0.02 -3.67 -0.01 0.00 -0.57 0.00 0.00 34.95 30.72 2kct s ARG 76 CO -0.07 -0.22 1.39 -1.17 -1.08 0.00 0.00 175.30 174.15 2kct s LEU 77 N 1.75 3.94 -0.62 -1.89 2.96 0.08 -3.03 118.68 121.87 2kct s LEU 77 Ca 0.07 1.41 -0.27 0.00 -0.22 0.00 0.00 54.13 55.12 2kct s LEU 77 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2kct s LEU 77 CO 0.11 -1.08 1.58 -1.61 -1.32 0.00 0.00 176.35 174.02 2kct s GLU 78 N 4.22 3.00 0.90 1.98 2.02 -0.08 -2.97 118.70 127.76 2kct s GLU 78 Ca 0.61 0.39 -0.13 0.00 0.02 0.00 0.00 54.97 55.85 2kct s GLU 78 Cb -0.20 -4.25 0.04 0.00 0.10 0.00 0.00 34.13 29.82 2kct s GLU 78 CO 0.24 -2.31 0.57 -0.25 0.02 0.00 0.00 175.26 173.53 2kct n ASP 79 N 10.85 -1.44 -4.52 -0.19 9.92 -1.05 -0.74 116.55 129.38 2kct n ASP 79 Ca 0.14 0.40 -0.36 0.00 -0.53 0.00 0.00 54.79 54.44 2kct n ASP 79 Cb 0.50 -1.26 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 2kct n ASP 79 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kct n LYS 80 N -1.95 0.47 -1.55 -1.24 5.02 -1.22 -0.91 118.16 116.77 2kct n LYS 80 Ca 0.08 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2kct n LYS 80 Cb 0.53 -2.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.07 2kct n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kct n ASP 81 N 12.97 -4.58 -3.45 4.39 9.92 -1.26 -4.94 116.55 129.59 2kct n ASP 81 Ca 0.53 0.28 -0.28 0.00 -0.53 0.00 0.00 54.79 54.78 2kct n ASP 81 Cb 0.28 -3.38 -0.11 0.00 -0.64 0.00 0.00 41.12 37.27 2kct n ASP 81 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2kct s ASN 82 N -2.77 2.46 0.01 -2.24 2.47 -0.09 -4.94 114.94 109.84 2kct s ASN 82 Ca 0.00 -2.53 0.28 0.00 0.42 0.00 0.00 52.86 51.03 2kct s ASN 82 Cb 0.00 -0.44 1.06 0.00 -1.45 0.00 0.00 41.25 40.42 2kct s ASN 82 CO 0.00 -0.26 1.81 1.07 -3.72 0.00 0.00 177.10 176.00 2kct n THR 83 N 3.59 0.03 1.93 -5.21 5.66 -1.26 -2.53 114.28 116.49 2kct n THR 83 Ca 0.18 -0.01 0.16 0.00 -3.05 0.00 0.00 64.05 61.33 2kct n THR 83 Cb 0.41 -0.34 0.89 0.00 -1.55 0.00 0.00 70.33 69.74 2kct n THR 83 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kct n SER 84 N -1.54 0.19 -3.35 1.09 7.64 -1.26 -4.15 113.62 112.24 2kct n SER 84 Ca 0.07 -1.06 -0.20 0.00 1.01 0.00 0.00 58.87 58.69 2kct n SER 84 Cb 0.34 -0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 2kct n SER 84 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kct s LYS 85 N -2.00 0.68 -0.20 1.43 2.47 -1.25 -5.14 119.74 115.73 2kct s LYS 85 Ca 0.47 -1.14 -0.12 0.00 -1.56 0.00 0.00 55.97 53.62 2kct s LYS 85 Cb 0.22 -0.90 -0.05 0.00 -1.46 0.00 0.00 37.83 35.64 2kct s LYS 85 CO 0.37 -1.23 0.20 0.95 0.16 0.00 0.00 175.35 175.79 2kct s THR 86 N 1.13 5.35 -0.12 3.43 -4.23 -1.26 -4.23 115.64 115.71 2kct s THR 86 Ca 0.20 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 60.97 2kct s THR 86 Cb -0.14 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2kct s THR 86 CO -0.04 0.38 0.10 -0.69 -0.54 0.00 0.00 174.62 173.84 2kct s VAL 87 N 0.66 5.16 0.73 2.29 1.01 -1.16 -4.90 120.40 124.20 2kct s VAL 87 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 2kct s VAL 87 Cb -0.12 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2kct s VAL 87 CO 0.02 0.60 1.07 0.26 0.00 0.00 0.00 175.10 177.05 2kct s TRP 88 N -0.83 2.96 -0.20 5.22 0.52 -1.10 -0.74 118.94 124.78 2kct s TRP 88 Ca 0.13 1.41 -0.03 0.00 0.02 0.00 0.00 56.10 57.64 2kct s TRP 88 Cb -0.12 -2.94 0.06 0.00 -1.15 0.00 0.00 33.47 29.32 2kct s TRP 88 CO 0.03 -1.43 0.06 0.08 0.02 0.00 0.00 176.95 175.71 2kct s VAL 89 N -3.03 0.40 -0.77 4.03 1.01 0.15 -0.45 120.40 121.74 2kct s VAL 89 Ca 0.59 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2kct s VAL 89 Cb -0.15 -0.99 0.14 0.00 0.00 0.00 0.00 36.38 35.39 2kct s VAL 89 CO 0.55 -0.29 0.88 -0.22 0.00 0.00 0.00 175.10 176.02 2kct s LEU 90 N 1.91 5.58 -0.18 3.92 2.96 0.17 -2.22 118.68 130.82 2kct s LEU 90 Ca 0.01 -1.94 -0.10 0.00 -0.22 0.00 0.00 54.13 51.87 2kct s LEU 90 Cb -0.17 -2.32 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2kct s LEU 90 CO -0.11 -0.98 0.15 -0.47 -1.32 0.00 0.00 176.35 173.63 2kct s TYR 91 N 2.11 3.45 0.14 5.38 5.04 -0.51 -1.23 117.35 131.72 2kct s TYR 91 Ca 0.21 0.40 0.10 0.00 -2.44 0.00 0.00 57.07 55.35 2kct s TYR 91 Cb -0.14 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 2kct s TYR 91 CO -0.03 0.37 -0.23 0.15 -1.34 0.00 0.00 175.55 174.46 2kct s LYS 92 N 0.11 1.55 0.00 4.97 1.02 -1.25 -1.15 119.74 125.00 2kct s LYS 92 Ca 0.10 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.77 2kct s LYS 92 Cb -0.11 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2kct s LYS 92 CO -0.00 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 2kct n GLY 93 N 0.74 -0.15 3.67 -3.33 0.00 -0.33 -4.88 105.19 100.92 2kct n GLY 93 Ca -0.16 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 94 N -1.78 3.63 -0.13 4.61 0.00 -1.26 -2.34 121.76 124.49 2kct s ALA 94 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 2kct s ALA 94 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2kct s ALA 94 CO 0.00 -1.18 0.96 0.08 0.00 0.00 0.00 175.76 175.62 2kct s VAL 95 N 3.43 4.80 0.62 0.00 1.01 -1.26 -5.03 120.40 123.97 2kct s VAL 95 Ca 0.62 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 64.36 2kct s VAL 95 Cb -0.27 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 2kct s VAL 95 CO 0.22 0.00 1.14 -2.16 0.00 0.00 0.00 175.10 174.29 2kct s PRO 96 N 2.12 2.96 0.38 2.72 0.04 -1.26 -4.96 135.00 137.00 2kct s PRO 96 Ca 0.45 1.55 0.18 0.00 0.04 0.00 0.00 61.00 63.22 2kct s PRO 96 Cb -0.18 -1.96 0.74 0.00 0.04 0.00 0.00 34.50 33.15 2kct s PRO 96 CO 0.16 -1.15 1.78 0.22 0.04 0.00 0.00 177.00 178.04 2kct h ASP 97 N 0.52 0.00 0.86 6.66 3.58 -1.96 -2.56 116.42 123.52 2kct h ASP 97 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kct h ASP 97 Cb 1.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 2kct h ASP 97 CO 0.55 0.37 -0.00 0.00 -2.88 0.00 0.00 179.24 177.28 2kct h THR 98 N 0.00 0.00 -2.84 2.25 1.03 -1.93 -3.41 112.91 108.00 2kct h THR 98 Ca -0.00 -0.43 -0.57 0.00 -0.01 0.00 0.00 66.41 65.40 2kct h THR 98 Cb 0.81 1.43 -0.03 0.00 -1.07 0.00 0.00 68.15 69.29 2kct h THR 98 CO 0.05 0.00 1.08 0.12 -0.01 0.00 0.00 175.52 176.76 2kct s PHE 99 N -3.75 2.25 0.13 0.00 5.36 -0.97 -4.91 117.98 116.09 2kct s PHE 99 Ca 0.00 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 56.63 2kct s PHE 99 Cb 0.10 -3.95 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 2kct s PHE 99 CO 0.52 -2.67 -0.10 0.15 -1.46 0.00 0.00 175.22 171.66 2kct s LYS 100 N 4.50 0.99 0.33 10.12 1.02 -1.26 -4.95 119.74 130.48 2kct s LYS 100 Ca 0.68 -1.36 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 2kct s LYS 100 Cb -0.23 -0.58 -0.10 0.00 -0.52 0.00 0.00 37.83 36.40 2kct s LYS 100 CO 0.27 0.07 1.18 -2.14 -0.92 0.00 0.00 175.35 173.82 2kct s PRO 101 N -3.48 4.40 0.00 -1.68 0.02 -1.26 -3.69 135.00 129.30 2kct s PRO 101 Ca 0.13 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2kct s PRO 101 Cb 0.01 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2kct s PRO 101 CO 0.00 -0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 2kct n GLY 102 N 0.91 1.75 3.89 0.52 0.00 -0.52 -4.89 105.19 106.85 2kct n GLY 102 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2kct n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 103 N -2.97 5.05 0.29 1.61 0.11 -1.24 -4.78 120.40 118.48 2kct s VAL 103 Ca 0.00 0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2kct s VAL 103 Cb 0.00 -3.62 -0.10 0.00 -1.53 0.00 0.00 36.38 31.13 2kct s VAL 103 CO 0.00 -0.01 1.23 -1.61 -3.33 0.00 0.00 175.10 171.39 2kct s GLU 104 N -2.71 4.46 0.10 1.54 2.02 -1.26 -1.27 118.70 121.59 2kct s GLU 104 Ca 0.44 2.04 0.04 0.00 0.02 0.00 0.00 54.97 57.51 2kct s GLU 104 Cb -0.12 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 2kct s GLU 104 CO 0.23 -0.06 -0.10 0.14 0.02 0.00 0.00 175.26 175.49 2kct s VAL 105 N -0.94 0.95 -0.11 2.63 -7.23 -0.05 -0.85 120.40 114.81 2kct s VAL 105 Ca 0.49 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 2kct s VAL 105 Cb -0.36 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2kct s VAL 105 CO 0.46 -0.61 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.80 2kct s ILE 106 N -2.67 1.94 0.05 -0.62 1.01 -0.03 -2.22 121.20 118.65 2kct s ILE 106 Ca 0.08 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.86 2kct s ILE 106 Cb -0.01 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2kct s ILE 106 CO -0.00 0.53 -0.19 0.27 0.00 0.00 0.00 174.94 175.54 2kct s ILE 107 N 0.59 1.54 0.12 2.92 -4.36 -1.07 -2.16 121.20 118.77 2kct s ILE 107 Ca -0.13 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.12 2kct s ILE 107 Cb -0.17 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 2kct s ILE 107 CO 0.04 0.13 -0.13 -1.61 0.24 0.00 0.00 174.94 173.61 2kct s GLU 108 N -1.25 0.99 0.00 0.37 2.02 -1.18 -1.21 118.70 118.44 2kct s GLU 108 Ca 0.06 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2kct s GLU 108 Cb -0.09 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.33 2kct s GLU 108 CO 0.02 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2kct n GLY 109 N 0.47 -0.67 3.52 -1.39 0.00 -0.53 -0.28 105.19 106.31 2kct n GLY 109 Ca -0.15 0.37 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 2kct n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kct s GLY 110 N 0.00 -0.55 -0.03 -0.02 0.00 -0.62 -1.56 107.32 104.53 2kct s GLY 110 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.09 2kct s GLY 110 CO 0.00 0.90 -0.15 -2.27 0.00 0.00 0.00 173.10 171.58 2kct s LEU 111 N -1.30 1.90 -0.05 0.66 2.96 -1.26 -1.70 118.68 119.89 2kct s LEU 111 Ca -0.09 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.31 2kct s LEU 111 Cb -0.00 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 2kct s LEU 111 CO 0.07 0.14 0.58 0.00 -1.32 0.00 0.00 176.35 175.82 2kct s ALA 112 N 0.01 3.45 0.59 5.97 0.00 -1.26 -4.99 121.76 125.54 2kct s ALA 112 Ca -0.02 -0.02 0.42 0.00 0.00 0.00 0.00 51.96 52.34 2kct s ALA 112 Cb -0.10 -2.75 2.29 0.00 0.00 0.00 0.00 23.12 22.56 2kct s ALA 112 CO 0.01 0.07 2.29 -1.00 0.00 0.00 0.00 175.76 177.13 2kct h PRO 113 N 6.18 0.00 -0.00 0.00 0.13 -2.00 -1.34 132.00 134.96 2kct h PRO 113 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kct h PRO 113 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kct h PRO 113 CO 0.72 0.00 -0.69 0.41 -0.23 0.00 0.00 178.00 178.21 2kct n GLY 114 N -1.11 -0.78 3.86 1.56 0.00 -1.26 -4.94 105.19 102.52 2kct n GLY 114 Ca -0.03 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2kct n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kct s GLU 115 N -2.83 3.42 0.21 1.61 2.56 -0.51 -5.02 118.70 118.15 2kct s GLU 115 Ca 0.13 -0.16 0.19 0.00 0.00 0.00 0.00 54.97 55.13 2kct s GLU 115 Cb 0.17 -3.16 0.02 0.00 2.00 0.00 0.00 34.13 33.17 2kct s GLU 115 CO 0.73 0.76 1.16 -0.44 -0.56 0.00 0.00 175.26 176.91 2kct h ASP 116 N 5.05 0.00 -3.49 -1.70 3.32 -1.92 -3.43 116.42 114.25 2kct h ASP 116 Ca -0.54 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.90 2kct h ASP 116 Cb 1.22 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 2kct h ASP 116 CO 0.58 0.31 -0.47 0.28 -1.72 0.00 0.00 179.24 178.23 2kct s THR 117 N -3.10 5.36 0.07 0.35 -1.32 -1.26 -2.69 115.64 113.05 2kct s THR 117 Ca 0.01 0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 60.43 2kct s THR 117 Cb 0.08 -3.52 -0.06 0.00 -1.51 0.00 0.00 72.50 67.50 2kct s THR 117 CO 0.77 0.36 1.15 0.12 -2.21 0.00 0.00 174.62 174.81 2kct s PHE 118 N 0.88 3.49 -0.49 9.09 5.36 0.41 -4.76 117.98 131.96 2kct s PHE 118 Ca 0.09 1.40 -0.23 0.00 -0.96 0.00 0.00 56.93 57.23 2kct s PHE 118 Cb -0.13 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 39.23 2kct s PHE 118 CO 0.03 -1.00 0.82 0.21 -1.46 0.00 0.00 175.22 173.82 2kct s LYS 119 N 0.80 3.35 -0.38 10.12 2.20 -0.69 -0.66 119.74 134.49 2kct s LYS 119 Ca 0.56 -0.23 -0.23 0.00 -0.36 0.00 0.00 55.97 55.71 2kct s LYS 119 Cb -0.28 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2kct s LYS 119 CO 0.30 -1.25 0.77 0.00 -0.36 0.00 0.00 175.35 174.80 2kct s ALA 120 N 3.45 3.41 0.23 3.13 0.00 -0.37 -1.60 121.76 130.02 2kct s ALA 120 Ca 0.29 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2kct s ALA 120 Cb -0.13 -3.36 0.21 0.00 0.00 0.00 0.00 23.12 19.84 2kct s ALA 120 CO 0.21 -1.55 1.52 0.07 0.00 0.00 0.00 175.76 176.01 2kct h ARG 121 N 8.57 0.04 -4.72 0.00 0.11 -0.94 -3.34 114.38 114.11 2kct h ARG 121 Ca -0.25 -0.04 -0.38 0.00 0.10 0.00 0.00 59.98 59.42 2kct h ARG 121 Cb 1.09 0.01 -0.28 0.00 1.11 0.00 0.00 29.97 31.91 2kct h ARG 121 CO 0.91 0.73 -0.77 0.95 0.10 0.00 0.00 179.97 181.89 2kct s THR 122 N -3.42 0.70 -0.24 0.08 -4.23 -1.01 -4.93 115.64 102.58 2kct s THR 122 Ca -0.01 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2kct s THR 122 Cb 0.12 -0.60 0.06 0.00 1.34 0.00 0.00 72.50 73.42 2kct s THR 122 CO 0.78 0.13 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.71 2kct s LEU 123 N -0.39 2.75 -0.03 4.79 2.96 -1.26 -3.10 118.68 124.39 2kct s LEU 123 Ca 0.02 -1.24 0.06 0.00 -0.22 0.00 0.00 54.13 52.74 2kct s LEU 123 Cb -0.04 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 2kct s LEU 123 CO -0.00 -0.24 -0.19 -0.32 -1.32 0.00 0.00 176.35 174.28 2kct s MET 124 N 1.34 1.71 0.60 1.98 -2.45 -0.92 -4.88 119.30 116.69 2kct s MET 124 Ca -0.06 -0.69 -0.02 0.00 -1.25 0.00 0.00 55.69 53.67 2kct s MET 124 Cb -0.19 -1.58 0.04 0.00 1.25 0.00 0.00 34.83 34.34 2kct s MET 124 CO -0.06 0.37 0.87 0.95 1.05 0.00 0.00 175.02 178.20 2kct s THR 125 N -0.31 2.73 0.04 10.11 -4.23 -1.26 -0.85 115.64 121.87 2kct s THR 125 Ca 0.04 -0.44 -0.32 0.00 -1.18 0.00 0.00 61.69 59.79 2kct s THR 125 Cb -0.09 -3.09 -0.18 0.00 1.34 0.00 0.00 72.50 70.49 2kct s THR 125 CO 0.00 -0.07 1.37 0.50 -0.54 0.00 0.00 174.62 175.88 2kct h LYS 126 N -0.18 -1.11 -4.67 3.99 1.63 -1.34 -3.42 116.57 111.48 2kct h LYS 126 Ca -0.44 0.08 -0.69 0.00 -0.85 0.00 0.00 60.65 58.75 2kct h LYS 126 Cb 1.30 0.25 -0.19 0.00 -0.60 0.00 0.00 32.23 32.98 2kct h LYS 126 CO 0.56 -0.74 -0.45 0.00 -3.45 0.00 0.00 179.45 175.37 2kct n PRO 128 N 5.14 1.66 -2.18 0.00 -0.02 -1.26 -4.92 135.00 133.41 2kct n PRO 128 Ca -0.12 -2.47 -0.39 0.00 -2.02 0.00 0.00 63.50 58.50 2kct n PRO 128 Cb 0.49 -3.68 -0.03 0.00 -0.02 0.00 0.00 33.50 30.26 2kct n PRO 128 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2kct s LEU 129 N 10.25 3.27 0.00 2.45 2.96 -1.26 -5.13 118.68 131.21 2kct s LEU 129 Ca 0.67 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 2kct s LEU 129 Cb 0.00 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.11 2kct s LEU 129 CO 0.13 -2.20 0.17 -0.62 -1.32 0.00 0.00 176.35 172.51