#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 0.70 -0.46 3.04 0.00 -1.26 -5.14 121.76 118.64 2kct s ALA 44 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 2kct s ALA 44 Cb 0.00 0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.69 2kct s ALA 44 CO 0.00 -0.40 0.36 0.95 0.00 0.00 0.00 175.76 176.67 2kct s THR 45 N -3.94 5.05 0.64 0.00 -4.23 -1.26 -5.09 115.64 106.80 2kct s THR 45 Ca 0.14 -1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 2kct s THR 45 Cb 0.08 -4.01 0.15 0.00 1.34 0.00 0.00 72.50 70.05 2kct s THR 45 CO -0.05 -0.54 0.87 -0.81 -0.54 0.00 0.00 174.62 173.55 2kct n PRO 46 N 5.15 -0.80 -1.00 3.99 -0.04 -1.26 -5.07 135.00 135.96 2kct n PRO 46 Ca -0.12 -1.39 -0.32 0.00 -0.04 0.00 0.00 63.50 61.63 2kct n PRO 46 Cb 0.44 -0.88 0.13 0.00 -0.04 0.00 0.00 33.50 33.15 2kct n PRO 46 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2kct s GLN 47 N -4.89 1.60 0.52 0.54 0.00 -1.26 -4.99 119.66 111.18 2kct s GLN 47 Ca 0.50 1.46 -0.23 0.00 -0.00 0.00 0.00 55.36 57.09 2kct s GLN 47 Cb -0.01 -1.80 -0.06 0.00 0.00 0.00 0.00 33.01 31.14 2kct s GLN 47 CO 0.35 -2.18 1.39 0.34 0.00 0.00 0.00 175.29 175.18 2kct s ASP 48 N -2.80 5.44 0.20 12.60 2.15 -1.26 -4.95 116.67 128.06 2kct s ASP 48 Ca 0.66 2.83 -0.10 0.00 0.43 0.00 0.00 52.55 56.37 2kct s ASP 48 Cb -0.22 -2.64 0.13 0.00 -0.30 0.00 0.00 42.92 39.89 2kct s ASP 48 CO 0.55 -1.46 1.80 0.11 -0.17 0.00 0.00 175.17 176.00 2kct h LYS 49 N 1.73 1.01 -0.95 4.34 1.57 -2.07 -2.83 116.57 119.37 2kct h LYS 49 Ca -0.51 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 57.95 2kct h LYS 49 Cb 1.29 -0.19 -0.11 0.00 0.08 0.00 0.00 32.23 33.30 2kct h LYS 49 CO 0.58 0.78 0.23 1.28 -0.57 0.00 0.00 179.45 181.75 2kct n LEU 50 N -4.45 4.36 -4.55 2.94 4.77 -1.26 -4.87 117.00 113.93 2kct n LEU 50 Ca 0.06 -2.27 -0.28 0.00 -0.03 0.00 0.00 56.01 53.49 2kct n LEU 50 Cb 0.11 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2kct n LEU 50 CO 0.38 0.67 1.56 -1.38 -1.33 0.00 0.00 177.39 177.30 2kct s HIS 51 N -1.61 1.37 0.59 -1.77 -3.43 -1.07 -4.95 115.29 104.41 2kct s HIS 51 Ca 0.26 1.33 -0.18 0.00 -0.80 0.00 0.00 55.06 55.67 2kct s HIS 51 Cb 0.22 -3.74 -0.04 0.00 -1.43 0.00 0.00 32.58 27.59 2kct s HIS 51 CO 0.06 -2.04 1.13 0.99 -2.00 0.00 0.00 174.74 172.88 2kct s THR 52 N 11.86 3.11 -0.49 -5.38 2.01 -1.26 -4.98 115.64 120.50 2kct s THR 52 Ca 0.84 0.63 -0.18 0.00 0.31 0.00 0.00 61.69 63.29 2kct s THR 52 Cb -0.13 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.24 2kct s THR 52 CO 0.14 -0.20 0.53 -0.69 -0.69 0.00 0.00 174.62 173.70 2kct s VAL 53 N -1.92 5.03 -0.29 3.82 1.01 -0.53 -4.91 120.40 122.60 2kct s VAL 53 Ca 0.72 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 2kct s VAL 53 Cb -0.24 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2kct s VAL 53 CO 0.32 -0.70 0.73 -0.60 0.00 0.00 0.00 175.10 174.85 2kct s ARG 54 N 2.21 3.98 0.02 2.72 6.06 -1.26 -1.62 118.95 131.07 2kct s ARG 54 Ca 0.10 0.54 0.07 0.00 -2.50 0.00 0.00 55.73 53.95 2kct s ARG 54 Cb -0.21 -3.71 -0.02 0.00 0.06 0.00 0.00 34.95 31.07 2kct s ARG 54 CO 0.10 -0.60 -0.22 -1.17 -2.50 0.00 0.00 175.30 170.91 2kct s LEU 55 N 2.80 2.12 -0.00 -0.88 0.20 -0.65 -5.01 118.68 117.25 2kct s LEU 55 Ca 0.30 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.72 2kct s LEU 55 Cb -0.15 -1.06 -0.02 0.00 -0.43 0.00 0.00 46.19 44.53 2kct s LEU 55 CO 0.11 0.21 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.79 2kct s PHE 56 N -0.68 2.13 -0.43 5.38 0.40 -1.26 -1.56 117.98 121.95 2kct s PHE 56 Ca 0.08 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2kct s PHE 56 Cb -0.09 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.10 2kct s PHE 56 CO 0.01 0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.34 2kct n GLY 57 N 2.31 -0.65 3.20 4.36 0.00 -1.04 -4.61 105.19 108.77 2kct n GLY 57 Ca -0.16 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 1.42 0.06 2.61 2.01 -0.72 -1.47 115.64 116.55 2kct s THR 58 Ca 0.00 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 2kct s THR 58 Cb 0.00 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2kct s THR 58 CO 0.00 0.13 0.99 -0.69 -0.69 0.00 0.00 174.62 174.36 2kct s VAL 59 N -0.80 4.60 0.33 3.82 1.01 -0.87 -1.12 120.40 127.37 2kct s VAL 59 Ca 0.05 2.00 -0.04 0.00 0.00 0.00 0.00 61.98 63.99 2kct s VAL 59 Cb -0.08 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2kct s VAL 59 CO 0.01 0.23 0.59 0.00 0.00 0.00 0.00 175.10 175.94 2kct s ALA 60 N 0.51 3.60 0.07 5.51 0.00 -1.18 -1.02 121.76 129.25 2kct s ALA 60 Ca 0.50 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2kct s ALA 60 Cb -0.23 -2.31 -0.24 0.00 0.00 0.00 0.00 23.12 20.34 2kct s ALA 60 CO 0.29 0.10 1.10 0.00 0.00 0.00 0.00 175.76 177.25 2kct h ALA 61 N 1.27 0.33 -1.71 0.00 0.00 -1.92 -3.39 119.26 113.83 2kct h ALA 61 Ca -0.48 -1.01 -0.56 0.00 0.00 0.00 0.00 54.91 52.86 2kct h ALA 61 Cb 1.20 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2kct h ALA 61 CO 0.64 1.21 1.02 0.34 0.00 0.00 0.00 179.25 182.47 2kct s ASP 62 N -6.78 6.40 0.00 0.00 -1.08 -1.26 -2.83 116.67 111.13 2kct s ASP 62 Ca -0.03 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 2kct s ASP 62 Cb 0.09 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2kct s ASP 62 CO 0.84 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.71 2kct n GLY 63 N 5.04 0.75 3.56 2.66 0.00 -1.26 -4.58 105.19 111.36 2kct n GLY 63 Ca 0.14 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.28 -0.23 0.99 0.20 -1.13 -4.23 118.68 117.56 2kct s LEU 64 Ca 0.00 -0.92 -0.01 0.00 0.69 0.00 0.00 54.13 53.89 2kct s LEU 64 Cb 0.00 -2.56 0.02 0.00 -0.43 0.00 0.00 46.19 43.22 2kct s LEU 64 CO 0.00 -2.32 -0.11 -0.89 -0.29 0.00 0.00 176.35 172.74 2kct s THR 65 N 8.34 2.61 0.46 3.68 2.01 0.20 -5.01 115.64 127.93 2kct s THR 65 Ca 0.62 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 2kct s THR 65 Cb -0.04 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2kct s THR 65 CO -0.04 0.30 0.73 -0.04 -0.69 0.00 0.00 174.62 174.89 2kct s MET 66 N 1.31 3.32 -0.08 4.92 -1.94 -1.26 -0.61 119.30 124.95 2kct s MET 66 Ca 0.01 -0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.59 2kct s MET 66 Cb -0.16 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.17 2kct s MET 66 CO -0.07 -0.23 1.67 -0.51 -0.01 0.00 0.00 175.02 175.87 2kct s LEU 67 N -4.65 4.25 -0.61 -0.03 1.43 -0.85 -4.83 118.68 113.39 2kct s LEU 67 Ca 0.47 2.16 -0.26 0.00 -1.03 0.00 0.00 54.13 55.47 2kct s LEU 67 Cb -0.10 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2kct s LEU 67 CO 0.41 -0.99 2.15 -1.81 0.23 0.00 0.00 176.35 176.34 2kct s ASP 68 N 3.60 4.78 -0.24 2.29 1.11 -1.26 -2.13 116.67 124.83 2kct s ASP 68 Ca 0.74 0.51 0.00 0.00 0.18 0.00 0.00 52.55 53.98 2kct s ASP 68 Cb -0.32 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.14 2kct s ASP 68 CO 0.30 -2.77 0.00 0.61 1.18 0.00 0.00 175.17 174.49 2kct n GLY 69 N 6.04 0.48 3.06 0.21 0.00 -1.26 -5.05 105.19 108.68 2kct n GLY 69 Ca 0.31 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.10 -0.20 -0.35 4.61 0.00 -0.90 -5.13 121.76 117.70 2kct s ALA 70 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 2kct s ALA 70 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 2kct s ALA 70 CO 0.00 -0.18 1.51 -1.25 0.00 0.00 0.00 175.76 175.84 2kct s PRO 71 N -1.29 3.61 0.00 0.00 0.04 -1.26 -4.26 135.00 131.84 2kct s PRO 71 Ca -0.14 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2kct s PRO 71 Cb -0.08 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2kct s PRO 71 CO 0.01 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2kct n GLY 72 N 4.97 -0.40 3.20 0.56 0.00 -1.15 -1.55 105.19 110.82 2kct n GLY 72 Ca 0.18 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.83 -0.02 -0.11 1.61 0.11 -0.11 -2.00 120.40 118.06 2kct s VAL 73 Ca 0.00 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2kct s VAL 73 Cb 0.00 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2kct s VAL 73 CO 0.00 0.03 0.06 -0.60 -3.33 0.00 0.00 175.10 171.25 2kct s ARG 74 N 0.80 3.27 0.18 1.54 3.52 0.22 -1.18 118.95 127.30 2kct s ARG 74 Ca -0.05 -0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.07 2kct s ARG 74 Cb -0.06 -2.98 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2kct s ARG 74 CO -0.06 0.67 0.50 -0.59 -0.81 0.00 0.00 175.30 175.01 2kct s PHE 75 N -0.77 -0.14 -0.34 5.12 -0.71 -0.57 -0.63 117.98 119.95 2kct s PHE 75 Ca 0.12 -0.19 -0.15 0.00 -1.04 0.00 0.00 56.93 55.67 2kct s PHE 75 Cb -0.12 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.04 2kct s PHE 75 CO 0.03 -0.87 0.33 -0.98 -1.34 0.00 0.00 175.22 172.39 2kct s ARG 76 N -3.86 3.53 -0.50 1.99 1.70 -1.26 -0.28 118.95 120.26 2kct s ARG 76 Ca 0.08 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 54.56 2kct s ARG 76 Cb -0.00 -3.81 0.03 0.00 -0.57 0.00 0.00 34.95 30.59 2kct s ARG 76 CO -0.05 -0.51 1.17 -1.17 -1.08 0.00 0.00 175.30 173.67 2kct s LEU 77 N 1.93 3.57 -0.45 -1.89 2.96 0.19 -3.08 118.68 121.92 2kct s LEU 77 Ca 0.10 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 2kct s LEU 77 Cb -0.17 -3.44 0.02 0.00 0.50 0.00 0.00 46.19 43.11 2kct s LEU 77 CO 0.11 -1.34 1.24 -1.61 -1.32 0.00 0.00 176.35 173.44 2kct s GLU 78 N 4.65 3.68 0.19 1.98 2.02 -0.28 -2.19 118.70 128.75 2kct s GLU 78 Ca 0.47 0.73 -0.32 0.00 0.02 0.00 0.00 54.97 55.88 2kct s GLU 78 Cb -0.08 -3.95 -0.11 0.00 0.10 0.00 0.00 34.13 30.09 2kct s GLU 78 CO 0.30 -1.43 1.72 0.34 0.02 0.00 0.00 175.26 176.21 2kct s ASP 79 N 3.00 6.41 0.35 -0.19 2.15 -0.85 -1.75 116.67 125.79 2kct s ASP 79 Ca 0.53 2.82 0.17 0.00 0.43 0.00 0.00 52.55 56.50 2kct s ASP 79 Cb -0.10 -2.59 0.58 0.00 -0.30 0.00 0.00 42.92 40.51 2kct s ASP 79 CO 0.31 -0.96 1.69 0.11 -0.17 0.00 0.00 175.17 176.16 2kct h LYS 80 N 7.07 0.00 -0.02 4.34 1.57 -1.91 -2.88 116.57 124.74 2kct h LYS 80 Ca -0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2kct h LYS 80 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2kct h LYS 80 CO 0.95 0.43 -0.01 0.22 -0.57 0.00 0.00 179.45 180.47 2kct h ASP 81 N 0.00 0.05 -3.25 0.86 3.58 -1.95 -3.41 116.42 112.31 2kct h ASP 81 Ca -0.00 -0.43 -0.57 0.00 0.42 0.00 0.00 57.03 56.44 2kct h ASP 81 Cb 0.97 -0.01 -0.40 0.00 1.72 0.00 0.00 39.33 41.61 2kct h ASP 81 CO 0.06 0.47 -0.76 0.21 -2.88 0.00 0.00 179.24 176.34 2kct s ASN 82 N -5.69 3.80 0.00 2.28 2.47 -1.20 -5.02 114.94 111.57 2kct s ASN 82 Ca -0.15 -1.43 0.14 0.00 0.42 0.00 0.00 52.86 51.84 2kct s ASN 82 Cb 0.03 -0.86 0.82 0.00 -1.45 0.00 0.00 41.25 39.79 2kct s ASN 82 CO 0.68 -0.37 1.39 0.35 -3.72 0.00 0.00 177.10 175.43 2kct n THR 83 N 4.85 0.00 0.36 -5.21 -2.24 -1.09 -1.59 114.28 109.36 2kct n THR 83 Ca -0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 2kct n THR 83 Cb 0.43 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.17 2kct n THR 83 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kct n SER 84 N -0.77 0.72 -4.57 3.42 3.41 -1.26 -4.75 113.62 109.83 2kct n SER 84 Ca 0.10 -0.39 -0.37 0.00 -0.26 0.00 0.00 58.87 57.95 2kct n SER 84 Cb 0.05 1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.48 2kct n SER 84 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2kct s LYS 85 N -3.09 3.38 -0.37 4.33 2.20 -0.62 -4.95 119.74 120.60 2kct s LYS 85 Ca -0.01 -1.18 -0.08 0.00 -0.36 0.00 0.00 55.97 54.34 2kct s LYS 85 Cb 0.13 -5.33 0.05 0.00 -1.51 0.00 0.00 37.83 31.17 2kct s LYS 85 CO 0.78 -2.63 0.18 0.95 -0.36 0.00 0.00 175.35 174.28 2kct s THR 86 N 6.40 4.08 -0.20 3.43 -4.23 -1.26 -2.00 115.64 121.85 2kct s THR 86 Ca 0.55 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.77 2kct s THR 86 Cb -0.00 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 2kct s THR 86 CO -0.02 -0.31 0.12 -0.69 -0.54 0.00 0.00 174.62 173.18 2kct s VAL 87 N 1.43 5.33 -0.78 2.29 1.01 -0.93 -4.85 120.40 123.90 2kct s VAL 87 Ca 0.01 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 2kct s VAL 87 Cb -0.21 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kct s VAL 87 CO 0.03 0.43 1.26 0.26 0.00 0.00 0.00 175.10 177.08 2kct s TRP 88 N 0.42 2.40 -0.08 5.22 0.52 -1.26 -0.64 118.94 125.52 2kct s TRP 88 Ca 0.07 -0.28 -0.21 0.00 0.02 0.00 0.00 56.10 55.71 2kct s TRP 88 Cb -0.11 -4.58 -0.04 0.00 -1.15 0.00 0.00 33.47 27.58 2kct s TRP 88 CO -0.01 -1.98 0.60 0.08 0.02 0.00 0.00 176.95 175.65 2kct s VAL 89 N 5.30 5.09 -0.25 4.03 1.01 0.61 -1.00 120.40 135.19 2kct s VAL 89 Ca 0.35 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 2kct s VAL 89 Cb -0.08 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2kct s VAL 89 CO 0.10 0.30 -0.06 -0.22 0.00 0.00 0.00 175.10 175.22 2kct s LEU 90 N 0.60 3.26 -0.14 3.92 2.96 -0.10 -1.51 118.68 127.67 2kct s LEU 90 Ca 0.32 -0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 2kct s LEU 90 Cb -0.17 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2kct s LEU 90 CO 0.15 -0.14 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.46 2kct s TYR 91 N 1.30 2.87 0.05 5.38 5.04 -0.33 -1.15 117.35 130.51 2kct s TYR 91 Ca -0.01 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 2kct s TYR 91 Cb -0.17 -1.89 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 2kct s TYR 91 CO -0.04 -0.21 0.03 0.15 -1.34 0.00 0.00 175.55 174.13 2kct s LYS 92 N 0.47 2.76 0.00 4.97 3.01 -1.26 -0.94 119.74 128.76 2kct s LYS 92 Ca -0.08 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.19 2kct s LYS 92 Cb -0.15 -2.66 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 2kct s LYS 92 CO 0.04 0.58 0.00 0.41 0.51 0.00 0.00 175.35 176.89 2kct n GLY 93 N 0.83 -0.35 3.61 -3.33 0.00 -0.60 -4.92 105.19 100.44 2kct n GLY 93 Ca -0.11 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 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 -2.00 3.04 -0.31 4.61 0.00 -1.26 -2.92 121.76 122.93 2kct s ALA 94 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.15 2kct s ALA 94 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2kct s ALA 94 CO 0.00 -2.34 0.81 0.08 0.00 0.00 0.00 175.76 174.31 2kct s VAL 95 N 6.24 4.77 0.68 0.00 1.01 -1.26 -5.04 120.40 126.81 2kct s VAL 95 Ca 0.79 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 63.82 2kct s VAL 95 Cb -0.25 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2kct s VAL 95 CO 0.33 -0.26 1.24 -0.81 0.00 0.00 0.00 175.10 175.59 2kct n PRO 96 N 6.25 0.89 0.25 2.72 -0.04 -1.26 -4.91 135.00 138.90 2kct n PRO 96 Ca 0.04 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 2kct n PRO 96 Cb 0.48 -2.48 0.67 0.00 -0.04 0.00 0.00 33.50 32.13 2kct n PRO 96 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kct h ASP 97 N 0.20 0.00 0.90 3.54 3.32 -2.01 -1.99 116.42 120.38 2kct h ASP 97 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2kct h ASP 97 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2kct h ASP 97 CO 0.51 0.15 -0.22 0.71 -1.72 0.00 0.00 179.24 178.67 2kct h THR 98 N 0.00 0.54 -2.44 0.35 1.35 -1.91 -3.43 112.91 107.38 2kct h THR 98 Ca -0.00 -1.08 -0.55 0.00 -0.55 0.00 0.00 66.41 64.23 2kct h THR 98 Cb 0.40 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 2kct h THR 98 CO 0.02 0.21 1.31 0.12 -0.25 0.00 0.00 175.52 176.93 2kct s PHE 99 N -3.67 1.75 0.10 4.73 5.36 -0.75 -4.66 117.98 120.84 2kct s PHE 99 Ca 0.00 0.72 0.03 0.00 -0.96 0.00 0.00 56.93 56.73 2kct s PHE 99 Cb 0.10 -4.10 -0.04 0.00 -0.34 0.00 0.00 43.02 38.65 2kct s PHE 99 CO 0.63 -2.70 -0.10 0.15 -1.46 0.00 0.00 175.22 171.74 2kct s LYS 100 N 6.16 0.84 -0.32 10.12 1.02 -1.26 -4.94 119.74 131.36 2kct s LYS 100 Ca 0.76 -1.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.29 2kct s LYS 100 Cb -0.19 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 2kct s LYS 100 CO 0.29 0.07 1.78 -1.25 -0.92 0.00 0.00 175.35 175.33 2kct s PRO 101 N -2.88 3.38 0.00 -1.68 0.04 -1.26 -2.17 135.00 130.43 2kct s PRO 101 Ca 0.06 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kct s PRO 101 Cb -0.02 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2kct s PRO 101 CO -0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 2kct n GLY 102 N 5.36 1.52 3.68 0.56 0.00 -0.19 -4.81 105.19 111.32 2kct n GLY 102 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2kct n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kct s VAL 103 N -1.81 4.81 -0.13 1.61 1.01 -0.92 -4.82 120.40 120.15 2kct s VAL 103 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 2kct s VAL 103 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kct s VAL 103 CO 0.00 -0.00 1.49 -0.70 0.00 0.00 0.00 175.10 175.89 2kct s GLU 104 N 2.15 4.13 0.19 2.72 2.12 -1.26 -2.04 118.70 126.70 2kct s GLU 104 Ca 0.44 1.87 0.11 0.00 0.36 0.00 0.00 54.97 57.76 2kct s GLU 104 Cb -0.17 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.26 2kct s GLU 104 CO 0.15 -0.88 -0.23 0.14 -0.54 0.00 0.00 175.26 173.90 2kct s VAL 105 N 4.04 2.27 -0.27 3.70 -7.23 -0.55 -3.00 120.40 119.37 2kct s VAL 105 Ca 0.66 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 2kct s VAL 105 Cb -0.27 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2kct s VAL 105 CO 0.24 -0.15 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.24 2kct s ILE 106 N -1.73 3.30 0.29 -0.62 1.01 -0.03 -2.48 121.20 120.94 2kct s ILE 106 Ca 0.20 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2kct s ILE 106 Cb -0.08 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 2kct s ILE 106 CO 0.09 0.16 0.39 0.27 0.00 0.00 0.00 174.94 175.85 2kct s ILE 107 N 1.39 4.53 -0.13 2.92 -4.36 -0.60 -0.77 121.20 124.18 2kct s ILE 107 Ca 0.01 -1.05 -0.08 0.00 -0.26 0.00 0.00 60.65 59.27 2kct s ILE 107 Cb -0.17 -3.57 0.05 0.00 1.25 0.00 0.00 42.46 40.02 2kct s ILE 107 CO -0.02 -0.24 0.31 -0.70 0.24 0.00 0.00 174.94 174.54 2kct s GLU 108 N -4.06 0.31 0.00 0.37 2.12 -0.97 -1.64 118.70 114.83 2kct s GLU 108 Ca 0.39 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.31 2kct s GLU 108 Cb -0.09 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.29 2kct s GLU 108 CO 0.29 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 2kct n GLY 109 N 3.88 -0.42 0.00 -1.50 0.00 -0.64 -0.58 105.19 105.93 2kct n GLY 109 Ca -0.21 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2kct n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kct n GLY 110 N 0.00 1.10 3.56 -0.02 0.00 -0.92 -1.45 105.19 107.45 2kct n GLY 110 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2kct n GLY 110 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 111 N 0.00 4.34 0.08 0.99 2.96 -1.26 -1.13 118.68 124.66 2kct s LEU 111 Ca 0.00 -0.01 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2kct s LEU 111 Cb 0.00 -2.63 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 2kct s LEU 111 CO 0.00 -0.52 0.87 0.00 -1.32 0.00 0.00 176.35 175.38 2kct s ALA 112 N 2.48 3.30 -0.42 5.97 0.00 -1.26 -4.99 121.76 126.84 2kct s ALA 112 Ca 0.20 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 2kct s ALA 112 Cb -0.15 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2kct s ALA 112 CO 0.14 0.01 2.35 -2.30 0.00 0.00 0.00 175.76 175.96 2kct n PRO 113 N 2.81 1.28 0.00 0.00 -0.02 -1.26 -1.28 135.00 136.54 2kct n PRO 113 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2kct n PRO 113 Cb 0.50 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 2kct n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kct n GLY 114 N 6.03 0.54 3.75 -1.23 0.00 -1.26 -5.10 105.19 107.92 2kct n GLY 114 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 4.27 0.00 1.61 2.56 -0.40 -4.99 118.70 121.75 2kct s GLU 115 Ca 0.00 0.52 0.27 0.00 0.00 0.00 0.00 54.97 55.76 2kct s GLU 115 Cb 0.00 -3.38 0.97 0.00 2.00 0.00 0.00 34.13 33.71 2kct s GLU 115 CO 0.00 0.28 1.70 -0.25 -0.56 0.00 0.00 175.26 176.43 2kct n ASP 116 N 3.18 0.72 -4.44 -1.70 8.00 -1.26 -4.42 116.55 116.63 2kct n ASP 116 Ca -0.08 -0.67 -0.33 0.00 0.71 0.00 0.00 54.79 54.42 2kct n ASP 116 Cb 0.52 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.51 2kct n ASP 116 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2kct s THR 117 N -2.53 2.97 -0.42 -3.53 -4.23 -1.26 -4.40 115.64 102.25 2kct s THR 117 Ca 0.25 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.73 2kct s THR 117 Cb 0.19 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.88 2kct s THR 117 CO 0.51 0.57 1.22 0.12 -0.54 0.00 0.00 174.62 176.50 2kct s PHE 118 N -0.45 2.74 -0.90 3.99 2.19 -0.17 -4.43 117.98 120.95 2kct s PHE 118 Ca 0.05 0.79 -0.23 0.00 0.33 0.00 0.00 56.93 57.87 2kct s PHE 118 Cb -0.12 -4.24 0.06 0.00 -1.31 0.00 0.00 43.02 37.41 2kct s PHE 118 CO 0.02 -1.43 1.31 0.15 1.83 0.00 0.00 175.22 177.09 2kct s LYS 119 N 4.42 3.44 -0.52 10.12 1.02 -0.29 -0.93 119.74 137.01 2kct s LYS 119 Ca 0.52 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 55.27 2kct s LYS 119 Cb -0.11 -4.87 0.03 0.00 -0.52 0.00 0.00 37.83 32.37 2kct s LYS 119 CO 0.29 -2.09 1.11 0.00 -0.92 0.00 0.00 175.35 173.74 2kct s ALA 120 N 4.73 3.11 -0.29 5.17 0.00 -0.30 -2.17 121.76 132.02 2kct s ALA 120 Ca 0.39 -0.71 0.27 0.00 0.00 0.00 0.00 51.96 51.90 2kct s ALA 120 Cb -0.05 -3.89 0.70 0.00 0.00 0.00 0.00 23.12 19.88 2kct s ALA 120 CO -0.01 -2.38 1.74 0.07 0.00 0.00 0.00 175.76 175.17 2kct h ARG 121 N 9.33 0.00 -4.32 0.00 -0.00 -1.14 -3.37 114.38 114.88 2kct h ARG 121 Ca -0.24 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.57 2kct h ARG 121 Cb 1.06 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.87 2kct h ARG 121 CO 1.13 0.00 -0.69 0.95 -0.00 0.00 0.00 179.97 181.36 2kct s THR 122 N -3.35 0.34 0.00 0.08 -4.23 -0.83 -4.98 115.64 102.68 2kct s THR 122 Ca 0.05 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2kct s THR 122 Cb 0.07 -1.23 -0.00 0.00 1.34 0.00 0.00 72.50 72.67 2kct s THR 122 CO 0.62 -0.82 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.64 2kct s LEU 123 N -2.54 2.02 -0.08 4.79 2.96 -1.26 -2.28 118.68 122.29 2kct s LEU 123 Ca 0.02 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2kct s LEU 123 Cb 0.02 -0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.66 2kct s LEU 123 CO -0.06 -0.00 0.02 -0.32 -1.32 0.00 0.00 176.35 174.67 2kct s MET 124 N -0.17 0.45 -0.03 1.98 -2.45 0.05 -5.00 119.30 114.13 2kct s MET 124 Ca -0.01 0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 54.51 2kct s MET 124 Cb -0.02 -1.01 -0.04 0.00 1.25 0.00 0.00 34.83 35.02 2kct s MET 124 CO -0.00 -0.35 0.17 0.95 1.05 0.00 0.00 175.02 176.83 2kct s THR 125 N 2.01 5.38 -0.23 10.11 -4.23 -1.26 -0.85 115.64 126.57 2kct s THR 125 Ca 0.04 -0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.28 2kct s THR 125 Cb -0.13 -3.48 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 2kct s THR 125 CO -0.05 0.37 -0.35 0.29 -0.54 0.00 0.00 174.62 174.35 2kct n LYS 126 N 1.13 0.55 -2.78 3.99 5.02 -1.16 -4.94 118.16 119.96 2kct n LYS 126 Ca -0.12 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2kct n LYS 126 Cb 0.53 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2kct n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kct n PRO 128 N 5.21 1.24 -2.33 0.00 -0.04 -1.26 -4.70 135.00 133.13 2kct n PRO 128 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 2kct n PRO 128 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 2kct n PRO 128 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kct s LEU 129 N 0.00 3.44 0.00 1.53 1.02 -1.26 -4.91 118.68 118.50 2kct s LEU 129 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 54.13 52.14 2kct s LEU 129 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.63 2kct s LEU 129 CO 0.00 -2.12 0.19 -0.62 0.02 0.00 0.00 176.35 173.82