#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 3.13 -0.22 -5.12 0.00 -1.26 -5.02 121.76 113.26 2kct s ALA 44 Ca 0.00 -2.35 -0.29 0.00 0.00 0.00 0.00 51.96 49.32 2kct s ALA 44 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 2kct s ALA 44 CO 0.00 -3.09 1.31 0.95 0.00 0.00 0.00 175.76 174.94 2kct s THR 45 N 3.69 4.17 -0.72 0.00 -4.23 -1.26 -4.91 115.64 112.38 2kct s THR 45 Ca 0.33 1.37 0.11 0.00 -1.18 0.00 0.00 61.69 62.32 2kct s THR 45 Cb -0.07 -4.03 0.58 0.00 1.34 0.00 0.00 72.50 70.31 2kct s THR 45 CO -0.03 -0.29 1.41 -0.81 -0.54 0.00 0.00 174.62 174.35 2kct n PRO 46 N 7.00 3.57 -0.61 3.99 -0.04 -1.26 -4.98 135.00 142.67 2kct n PRO 46 Ca 0.15 -2.23 -0.11 0.00 -0.04 0.00 0.00 63.50 61.27 2kct n PRO 46 Cb 0.46 -1.95 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2kct n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kct n GLN 47 N 0.56 -0.79 -1.95 0.54 6.02 -1.26 -4.88 117.38 115.63 2kct n GLN 47 Ca 0.20 -0.71 -0.24 0.00 -0.01 0.00 0.00 57.00 56.24 2kct n GLN 47 Cb 0.86 -0.52 -0.06 0.00 1.02 0.00 0.00 30.24 31.55 2kct n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2kct s ASP 48 N -2.70 4.86 0.00 1.08 1.01 -1.26 -3.81 116.67 115.84 2kct s ASP 48 Ca 0.27 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.95 2kct s ASP 48 Cb -0.01 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2kct s ASP 48 CO 0.19 -3.02 0.00 1.17 0.21 0.00 0.00 175.17 173.72 2kct n LYS 49 N 8.82 0.00 0.00 8.23 3.00 -1.26 -4.84 118.16 132.10 2kct n LYS 49 Ca 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.86 2kct n LYS 49 Cb 0.46 -0.02 0.31 0.00 0.00 0.00 0.00 35.03 35.78 2kct n LYS 49 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kct n LEU 50 N -2.39 1.79 -4.74 3.14 -0.00 -1.25 -4.92 117.00 108.63 2kct n LEU 50 Ca 0.00 -0.59 -0.41 0.00 -0.00 0.00 0.00 56.01 55.01 2kct n LEU 50 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.36 2kct n LEU 50 CO 0.00 0.31 0.95 -1.00 -0.00 0.00 0.00 177.39 177.65 2kct s HIS 51 N -2.21 3.29 -0.09 1.47 3.76 -1.26 -5.05 115.29 115.21 2kct s HIS 51 Ca 0.29 1.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.54 2kct s HIS 51 Cb 0.20 -3.55 0.02 0.00 1.11 0.00 0.00 32.58 30.36 2kct s HIS 51 CO 0.41 -1.62 -0.11 0.99 -0.85 0.00 0.00 174.74 173.56 2kct s THR 52 N -0.19 1.15 -0.08 1.30 2.01 -1.26 -4.96 115.64 113.60 2kct s THR 52 Ca 0.54 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 2kct s THR 52 Cb -0.36 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2kct s THR 52 CO 0.40 0.37 0.27 -0.69 -0.69 0.00 0.00 174.62 174.28 2kct s VAL 53 N 1.11 5.29 -0.07 3.82 1.01 -0.63 -4.90 120.40 126.03 2kct s VAL 53 Ca -0.06 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2kct s VAL 53 Cb -0.14 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2kct s VAL 53 CO -0.02 0.56 0.03 -0.60 0.00 0.00 0.00 175.10 175.07 2kct s ARG 54 N -0.76 0.38 0.06 2.72 3.52 -1.26 -0.93 118.95 122.69 2kct s ARG 54 Ca 0.18 0.15 0.10 0.00 -0.13 0.00 0.00 55.73 56.03 2kct s ARG 54 Cb -0.14 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.28 2kct s ARG 54 CO 0.07 -0.35 -0.26 -1.17 -0.81 0.00 0.00 175.30 172.79 2kct s LEU 55 N 2.03 2.23 0.00 -0.88 0.20 -0.45 -5.00 118.68 116.81 2kct s LEU 55 Ca 0.05 -0.62 0.07 0.00 0.69 0.00 0.00 54.13 54.32 2kct s LEU 55 Cb -0.13 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 2kct s LEU 55 CO -0.05 0.24 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.69 2kct s PHE 56 N -0.87 2.50 -0.92 5.38 0.40 -1.26 -1.94 117.98 121.26 2kct s PHE 56 Ca 0.12 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2kct s PHE 56 Cb -0.10 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.93 2kct s PHE 56 CO 0.03 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.50 2kct n GLY 57 N 2.00 -0.95 3.39 4.36 0.00 -1.11 -2.66 105.19 110.21 2kct n GLY 57 Ca -0.16 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 2.32 -0.02 2.61 2.01 -1.05 -1.27 115.64 117.23 2kct s THR 58 Ca 0.00 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 2kct s THR 58 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2kct s THR 58 CO 0.00 0.23 1.25 -0.69 -0.69 0.00 0.00 174.62 174.72 2kct s VAL 59 N -0.95 4.06 0.28 3.82 1.01 -0.66 -0.83 120.40 127.13 2kct s VAL 59 Ca 0.13 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 2kct s VAL 59 Cb -0.10 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2kct s VAL 59 CO 0.05 0.02 0.49 0.00 0.00 0.00 0.00 175.10 175.66 2kct s ALA 60 N 2.04 3.72 -1.00 5.51 0.00 -0.42 -1.02 121.76 130.59 2kct s ALA 60 Ca 0.59 -0.77 0.28 0.00 0.00 0.00 0.00 51.96 52.05 2kct s ALA 60 Cb -0.27 -2.12 1.07 0.00 0.00 0.00 0.00 23.12 21.79 2kct s ALA 60 CO 0.24 0.23 1.81 0.00 0.00 0.00 0.00 175.76 178.04 2kct n ALA 61 N -1.11 2.61 -2.22 0.00 0.00 -1.26 -4.25 120.51 114.28 2kct n ALA 61 Ca -0.04 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 2kct n ALA 61 Cb 0.55 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2kct n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kct s ASP 62 N -3.00 6.22 -0.71 0.00 2.15 -1.26 -2.67 116.67 117.40 2kct s ASP 62 Ca 0.13 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.21 2kct s ASP 62 Cb 0.19 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2kct s ASP 62 CO 0.57 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 2kct n GLY 63 N 5.09 0.84 3.58 2.66 0.00 -1.26 -3.48 105.19 112.63 2kct n GLY 63 Ca 0.19 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.53 3.42 -0.05 0.99 0.20 -1.09 -4.28 118.68 116.33 2kct s LEU 64 Ca 0.00 0.71 -0.04 0.00 0.69 0.00 0.00 54.13 55.49 2kct s LEU 64 Cb 0.00 -3.08 0.02 0.00 -0.43 0.00 0.00 46.19 42.70 2kct s LEU 64 CO 0.00 -1.91 0.14 -0.89 -0.29 0.00 0.00 176.35 173.40 2kct s THR 65 N 7.32 -0.01 0.25 3.68 2.01 -0.38 -5.01 115.64 123.50 2kct s THR 65 Ca 0.68 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 2kct s THR 65 Cb -0.16 -0.21 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 2kct s THR 65 CO 0.27 0.02 0.79 -0.04 -0.69 0.00 0.00 174.62 174.97 2kct s MET 66 N 0.34 4.36 0.24 4.92 -1.94 -1.26 -1.25 119.30 124.71 2kct s MET 66 Ca -0.02 1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.67 2kct s MET 66 Cb -0.04 -2.87 -0.09 0.00 2.01 0.00 0.00 34.83 33.84 2kct s MET 66 CO -0.01 0.37 1.36 -0.51 -0.01 0.00 0.00 175.02 176.22 2kct s LEU 67 N -1.96 4.41 -0.30 -0.03 1.43 -1.02 -4.90 118.68 116.31 2kct s LEU 67 Ca 0.45 2.55 -0.28 0.00 -1.03 0.00 0.00 54.13 55.81 2kct s LEU 67 Cb -0.17 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2kct s LEU 67 CO 0.22 -0.60 1.92 -0.62 0.23 0.00 0.00 176.35 177.50 2kct s ASP 68 N 0.24 5.76 -1.68 2.29 2.15 -1.26 -2.47 116.67 121.71 2kct s ASP 68 Ca 0.57 1.47 0.00 0.00 0.43 0.00 0.00 52.55 55.02 2kct s ASP 68 Cb -0.39 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.71 2kct s ASP 68 CO 0.42 -1.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.25 2kct n GLY 69 N 5.52 0.73 2.92 2.66 0.00 -1.26 -4.99 105.19 110.78 2kct n GLY 69 Ca 0.25 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.75 -0.26 -0.04 4.61 0.00 -1.03 -5.12 121.76 117.16 2kct s ALA 70 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 2kct s ALA 70 Cb 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 2kct s ALA 70 CO 0.00 -0.16 2.05 -2.30 0.00 0.00 0.00 175.76 175.35 2kct n PRO 71 N 4.21 2.57 0.00 0.00 -0.02 -1.26 -4.10 135.00 136.40 2kct n PRO 71 Ca -0.27 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2kct n PRO 71 Cb 0.52 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 2kct n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kct n GLY 72 N 4.92 0.49 3.06 -1.23 0.00 -1.08 -0.83 105.19 110.53 2kct n GLY 72 Ca 0.23 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.89 0.03 -0.12 1.61 0.11 -0.26 -2.45 120.40 117.44 2kct s VAL 73 Ca 0.00 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2kct s VAL 73 Cb 0.00 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2kct s VAL 73 CO 0.00 -0.15 -0.10 -0.60 -3.33 0.00 0.00 175.10 170.92 2kct s ARG 74 N -0.49 3.29 0.16 1.54 3.52 -0.38 -1.32 118.95 125.27 2kct s ARG 74 Ca -0.06 -0.63 -0.16 0.00 -0.13 0.00 0.00 55.73 54.75 2kct s ARG 74 Cb -0.04 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.71 2kct s ARG 74 CO 0.01 0.32 0.44 -0.59 -0.81 0.00 0.00 175.30 174.66 2kct s PHE 75 N 0.10 -0.11 -0.41 5.12 -0.71 -1.09 -1.25 117.98 119.62 2kct s PHE 75 Ca -0.04 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 55.46 2kct s PHE 75 Cb -0.14 0.28 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2kct s PHE 75 CO 0.04 -0.79 0.46 0.50 -1.34 0.00 0.00 175.22 174.10 2kct s ARG 76 N -3.85 3.22 -0.20 1.99 3.52 -1.23 -1.00 118.95 121.40 2kct s ARG 76 Ca 0.07 -0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 2kct s ARG 76 Cb 0.01 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2kct s ARG 76 CO -0.07 -0.82 1.08 -1.17 -0.81 0.00 0.00 175.30 173.51 2kct s LEU 77 N 2.23 4.13 -0.79 -0.88 2.96 0.33 -1.30 118.68 125.36 2kct s LEU 77 Ca 0.14 1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 55.25 2kct s LEU 77 Cb -0.16 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2kct s LEU 77 CO 0.14 -0.66 1.71 -1.61 -1.32 0.00 0.00 176.35 174.61 2kct s GLU 78 N 3.13 2.87 0.31 1.98 0.41 -0.01 -1.33 118.70 126.05 2kct s GLU 78 Ca 0.46 -0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.63 2kct s GLU 78 Cb -0.17 -4.71 -0.12 0.00 -1.78 0.00 0.00 34.13 27.35 2kct s GLU 78 CO 0.09 -2.74 1.52 -3.47 -0.49 0.00 0.00 175.26 170.17 2kct n ASP 79 N 11.87 3.56 -0.08 -0.19 2.03 -1.24 -2.54 116.55 129.97 2kct n ASP 79 Ca 0.25 1.17 -0.08 0.00 0.52 0.00 0.00 54.79 56.65 2kct n ASP 79 Cb 0.50 -1.56 -0.16 0.00 -0.72 0.00 0.00 41.12 39.18 2kct n ASP 79 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kct n LYS 80 N 1.64 0.68 -0.14 -0.67 3.00 -1.09 -3.35 118.16 118.23 2kct n LYS 80 Ca 0.07 0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.30 2kct n LYS 80 Cb 0.36 -1.56 -0.01 0.00 0.00 0.00 0.00 35.03 33.83 2kct n LYS 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kct h ASP 81 N 0.00 0.63 0.00 3.14 3.58 -1.93 -3.38 116.42 118.45 2kct h ASP 81 Ca -0.46 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 56.76 2kct h ASP 81 Cb 2.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.98 2kct h ASP 81 CO 0.03 0.68 -0.93 0.59 -2.88 0.00 0.00 179.24 176.74 2kct n ASN 82 N -4.56 3.84 0.00 2.28 5.03 -1.26 -5.03 115.26 115.56 2kct n ASN 82 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2kct n ASN 82 Cb 0.20 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 2kct n ASN 82 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2kct n THR 83 N -2.35 0.00 1.87 3.41 -1.04 -1.21 -4.83 114.28 110.12 2kct n THR 83 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2kct n THR 83 Cb 0.46 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.06 2kct n THR 83 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kct n SER 84 N 0.00 0.23 -3.82 8.00 3.41 -1.26 -4.75 113.62 115.43 2kct n SER 84 Ca 0.00 -1.93 -0.10 0.00 -0.26 0.00 0.00 58.87 56.58 2kct n SER 84 Cb 0.00 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.95 0.82 -0.08 4.33 2.20 -1.26 -5.16 119.74 118.64 2kct s LYS 85 Ca 0.06 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.89 2kct s LYS 85 Cb 0.03 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.70 2kct s LYS 85 CO 0.04 -0.26 -0.14 0.95 -0.36 0.00 0.00 175.35 175.58 2kct s THR 86 N -3.38 1.34 -0.25 3.43 -4.23 -1.26 -3.65 115.64 107.64 2kct s THR 86 Ca 0.01 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 2kct s THR 86 Cb 0.02 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 2kct s THR 86 CO -0.08 0.40 0.12 -0.69 -0.54 0.00 0.00 174.62 173.83 2kct s VAL 87 N 0.71 4.91 -0.53 2.29 1.01 -0.44 -4.85 120.40 123.50 2kct s VAL 87 Ca -0.13 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 2kct s VAL 87 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2kct s VAL 87 CO 0.03 0.33 1.33 0.26 0.00 0.00 0.00 175.10 177.05 2kct s TRP 88 N 1.34 2.44 -0.45 5.22 0.52 -1.26 -0.52 118.94 126.24 2kct s TRP 88 Ca 0.06 0.51 -0.23 0.00 0.02 0.00 0.00 56.10 56.47 2kct s TRP 88 Cb -0.15 -4.42 0.03 0.00 -1.15 0.00 0.00 33.47 27.78 2kct s TRP 88 CO 0.06 -1.81 0.78 0.08 0.02 0.00 0.00 176.95 176.08 2kct s VAL 89 N 5.51 4.66 -0.69 4.03 1.01 -0.17 -0.92 120.40 133.82 2kct s VAL 89 Ca 0.51 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 2kct s VAL 89 Cb -0.10 -4.32 0.12 0.00 0.00 0.00 0.00 36.38 32.08 2kct s VAL 89 CO 0.27 -0.72 0.83 -0.22 0.00 0.00 0.00 175.10 175.27 2kct s LEU 90 N 3.27 5.30 -0.22 3.92 2.96 0.08 -2.68 118.68 131.31 2kct s LEU 90 Ca 0.29 -1.61 -0.09 0.00 -0.22 0.00 0.00 54.13 52.51 2kct s LEU 90 Cb -0.12 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2kct s LEU 90 CO 0.22 -1.11 0.10 -0.47 -1.32 0.00 0.00 176.35 173.78 2kct s TYR 91 N 2.66 3.25 -0.14 5.38 5.04 -0.43 -2.74 117.35 130.37 2kct s TYR 91 Ca 0.18 0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.84 2kct s TYR 91 Cb -0.18 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.92 2kct s TYR 91 CO 0.02 0.03 -0.09 0.15 -1.34 0.00 0.00 175.55 174.32 2kct s LYS 92 N 0.88 3.47 0.00 4.97 3.01 -1.26 -1.11 119.74 129.71 2kct s LYS 92 Ca 0.05 -0.61 0.00 0.00 -1.01 0.00 0.00 55.97 54.41 2kct s LYS 92 Cb -0.13 -2.75 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 2kct s LYS 92 CO 0.03 0.25 0.00 0.41 0.51 0.00 0.00 175.35 176.55 2kct n GLY 93 N 3.45 0.63 3.61 -3.33 0.00 -0.01 -4.93 105.19 104.60 2kct n GLY 93 Ca -0.18 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.55 2.93 0.04 4.61 0.00 -1.26 -2.62 121.76 123.90 2kct s ALA 94 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 2kct s ALA 94 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 2kct s ALA 94 CO 0.00 -2.52 0.94 0.08 0.00 0.00 0.00 175.76 174.26 2kct s VAL 95 N 6.77 4.74 0.34 0.00 1.01 -1.26 -4.98 120.40 127.02 2kct s VAL 95 Ca 0.82 2.00 -0.27 0.00 0.00 0.00 0.00 61.98 64.53 2kct s VAL 95 Cb -0.25 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.72 2kct s VAL 95 CO 0.34 0.23 1.12 -2.65 0.00 0.00 0.00 175.10 174.14 2kct n PRO 96 N 3.44 1.66 0.24 2.72 -0.02 -1.26 -4.91 135.00 136.88 2kct n PRO 96 Ca 0.04 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2kct n PRO 96 Cb 0.50 -2.09 0.59 0.00 -0.02 0.00 0.00 33.50 32.48 2kct n PRO 96 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kct h ASP 97 N 2.10 0.00 1.03 2.55 3.32 -2.01 -2.65 116.42 120.76 2kct h ASP 97 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2kct h ASP 97 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2kct h ASP 97 CO 0.60 0.18 0.00 0.71 -1.72 0.00 0.00 179.24 179.02 2kct h THR 98 N 0.00 0.00 -3.40 0.35 1.35 -1.90 -3.45 112.91 105.86 2kct h THR 98 Ca -0.00 -0.35 -0.52 0.00 -0.55 0.00 0.00 66.41 64.99 2kct h THR 98 Cb 0.54 1.19 0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2kct h THR 98 CO 0.02 0.00 0.65 0.12 -0.25 0.00 0.00 175.52 176.07 2kct s PHE 99 N -3.26 3.25 -0.03 4.73 5.36 -1.00 -4.91 117.98 122.12 2kct s PHE 99 Ca 0.06 1.22 -0.30 0.00 -0.96 0.00 0.00 56.93 56.96 2kct s PHE 99 Cb 0.10 -3.61 0.11 0.00 -0.34 0.00 0.00 43.02 39.28 2kct s PHE 99 CO 0.48 -1.89 0.97 -1.59 -1.46 0.00 0.00 175.22 171.72 2kct s LYS 100 N -0.15 0.73 -0.35 10.12 -2.85 -1.26 -5.00 119.74 120.98 2kct s LYS 100 Ca 0.57 -0.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.97 2kct s LYS 100 Cb -0.37 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.70 2kct s LYS 100 CO 0.39 -0.32 1.96 -1.25 0.10 0.00 0.00 175.35 176.23 2kct s PRO 101 N -2.97 3.09 0.00 1.78 0.04 -1.26 -2.64 135.00 133.03 2kct s PRO 101 Ca 0.07 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2kct s PRO 101 Cb -0.01 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2kct s PRO 101 CO -0.07 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.23 2kct n GLY 102 N 5.59 1.25 3.77 0.56 0.00 -0.19 -4.93 105.19 111.24 2kct n GLY 102 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.60 4.51 -0.32 1.61 0.11 -1.08 -4.80 120.40 118.84 2kct s VAL 103 Ca 0.00 1.63 -0.29 0.00 -2.93 0.00 0.00 61.98 60.39 2kct s VAL 103 Cb 0.00 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.76 2kct s VAL 103 CO 0.00 0.48 1.08 -1.61 -3.33 0.00 0.00 175.10 171.72 2kct s GLU 104 N -0.83 4.06 0.16 1.54 2.02 -1.26 -1.65 118.70 122.73 2kct s GLU 104 Ca 0.36 1.07 0.08 0.00 0.02 0.00 0.00 54.97 56.50 2kct s GLU 104 Cb -0.22 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2kct s GLU 104 CO 0.24 -0.91 -0.08 0.14 0.02 0.00 0.00 175.26 174.67 2kct s VAL 105 N 3.68 3.34 -0.26 2.63 -7.23 -0.40 -1.12 120.40 121.03 2kct s VAL 105 Ca 0.46 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 2kct s VAL 105 Cb -0.12 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2kct s VAL 105 CO 0.16 -0.05 0.01 -0.63 -0.31 0.00 0.00 175.10 174.27 2kct s ILE 106 N -1.58 3.44 -0.12 -0.62 1.01 -0.28 -2.75 121.20 120.31 2kct s ILE 106 Ca 0.24 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2kct s ILE 106 Cb -0.09 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2kct s ILE 106 CO 0.15 0.18 0.13 0.27 0.00 0.00 0.00 174.94 175.68 2kct s ILE 107 N 1.43 5.44 -0.09 2.92 -4.36 -0.82 -2.50 121.20 123.22 2kct s ILE 107 Ca 0.02 0.18 -0.12 0.00 -0.26 0.00 0.00 60.65 60.48 2kct s ILE 107 Cb -0.17 -3.37 0.03 0.00 1.25 0.00 0.00 42.46 40.21 2kct s ILE 107 CO -0.01 0.62 0.30 -0.70 0.24 0.00 0.00 174.94 175.39 2kct s GLU 108 N -1.01 0.44 0.00 0.37 2.12 -0.90 -1.34 118.70 118.37 2kct s GLU 108 Ca 0.15 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2kct s GLU 108 Cb -0.12 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.48 2kct s GLU 108 CO 0.04 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2kct n GLY 109 N 2.45 -0.86 3.45 -1.50 0.00 -0.10 0.02 105.19 108.64 2kct n GLY 109 Ca -0.15 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.57 0.02 -0.02 0.00 -0.80 -1.60 107.32 104.35 2kct s GLY 110 Ca 0.00 0.70 0.07 0.00 0.00 0.00 0.00 44.72 45.49 2kct s GLY 110 CO 0.00 0.27 -0.21 -2.27 0.00 0.00 0.00 173.10 170.88 2kct s LEU 111 N -2.56 2.12 0.32 0.66 2.96 -1.26 -1.91 118.68 119.01 2kct s LEU 111 Ca 0.01 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.24 2kct s LEU 111 Cb -0.01 -1.05 -0.10 0.00 0.50 0.00 0.00 46.19 45.54 2kct s LEU 111 CO -0.10 0.21 0.84 0.00 -1.32 0.00 0.00 176.35 175.97 2kct s ALA 112 N -0.69 3.24 -1.11 5.97 0.00 -1.26 -4.97 121.76 122.94 2kct s ALA 112 Ca 0.08 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 2kct s ALA 112 Cb -0.09 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2kct s ALA 112 CO 0.01 0.24 2.00 -0.35 0.00 0.00 0.00 175.76 177.66 2kct n PRO 113 N 0.09 2.15 0.00 0.00 -0.04 -1.26 -3.58 135.00 132.36 2kct n PRO 113 Ca 0.02 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 2kct n PRO 113 Cb 0.52 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 2kct n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kct n GLY 114 N 4.67 0.23 3.64 0.55 0.00 -1.26 -5.18 105.19 107.84 2kct n GLY 114 Ca 0.50 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.32 -0.07 1.61 2.56 -1.23 -5.06 118.70 116.83 2kct s GLU 115 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 54.97 55.20 2kct s GLU 115 Cb 0.00 0.15 -0.30 0.00 2.00 0.00 0.00 34.13 35.99 2kct s GLU 115 CO 0.00 -0.05 0.60 -0.44 -0.56 0.00 0.00 175.26 174.82 2kct h ASP 116 N 3.59 0.56 -3.26 -1.70 3.32 -1.95 -3.46 116.42 113.52 2kct h ASP 116 Ca -0.26 -0.93 -0.59 0.00 0.02 0.00 0.00 57.03 55.27 2kct h ASP 116 Cb 1.18 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 2kct h ASP 116 CO 0.15 1.79 0.50 0.42 -1.72 0.00 0.00 179.24 180.37 2kct s THR 117 N -2.56 4.83 0.07 0.35 -4.23 -1.26 -4.00 115.64 108.84 2kct s THR 117 Ca -0.18 1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 61.70 2kct s THR 117 Cb 0.05 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 2kct s THR 117 CO 0.83 -0.05 1.00 0.12 -0.54 0.00 0.00 174.62 175.98 2kct s PHE 118 N 2.65 3.70 -0.71 3.99 5.36 -0.10 -4.74 117.98 128.13 2kct s PHE 118 Ca 0.38 1.70 -0.19 0.00 -0.96 0.00 0.00 56.93 57.86 2kct s PHE 118 Cb -0.16 -3.13 0.12 0.00 -0.34 0.00 0.00 43.02 39.51 2kct s PHE 118 CO 0.09 -0.08 0.85 0.15 -1.46 0.00 0.00 175.22 174.76 2kct s LYS 119 N 0.43 3.25 -0.73 10.12 3.01 -0.80 -0.74 119.74 134.28 2kct s LYS 119 Ca 0.50 -1.49 -0.26 0.00 -1.01 0.00 0.00 55.97 53.72 2kct s LYS 119 Cb -0.24 -4.43 0.04 0.00 -1.01 0.00 0.00 37.83 32.20 2kct s LYS 119 CO 0.30 -1.61 1.20 0.00 0.51 0.00 0.00 175.35 175.75 2kct s ALA 120 N 2.58 2.85 0.45 5.17 0.00 -1.11 -1.90 121.76 129.80 2kct s ALA 120 Ca 0.19 -1.53 0.14 0.00 0.00 0.00 0.00 51.96 50.76 2kct s ALA 120 Cb -0.17 -4.16 1.06 0.00 0.00 0.00 0.00 23.12 19.85 2kct s ALA 120 CO 0.01 -3.16 2.01 -0.09 0.00 0.00 0.00 175.76 174.53 2kct h ARG 121 N 9.89 0.35 -4.04 0.00 2.43 -0.76 -3.39 114.38 118.86 2kct h ARG 121 Ca -0.27 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.61 2kct h ARG 121 Cb 1.05 -0.08 -0.27 0.00 -0.42 0.00 0.00 29.97 30.25 2kct h ARG 121 CO 1.26 0.23 -0.73 0.95 -1.51 0.00 0.00 179.97 180.16 2kct s THR 122 N -5.35 0.21 -0.10 0.20 -4.23 -0.28 -5.01 115.64 101.09 2kct s THR 122 Ca -0.07 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2kct s THR 122 Cb 0.19 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 73.86 2kct s THR 122 CO 0.74 -0.00 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.57 2kct s LEU 123 N -0.23 0.90 0.06 4.79 2.96 -1.26 -2.12 118.68 123.78 2kct s LEU 123 Ca -0.01 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2kct s LEU 123 Cb -0.02 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 2kct s LEU 123 CO -0.00 -0.18 -0.15 0.00 -1.32 0.00 0.00 176.35 174.70 2kct s MET 124 N 1.85 0.92 0.11 1.98 0.23 -1.04 -4.77 119.30 118.57 2kct s MET 124 Ca 0.04 -0.86 0.02 0.00 -1.03 0.00 0.00 55.69 53.85 2kct s MET 124 Cb -0.13 -0.94 -0.04 0.00 -1.53 0.00 0.00 34.83 32.19 2kct s MET 124 CO -0.07 0.22 0.23 0.95 -2.03 0.00 0.00 175.02 174.33 2kct s THR 125 N -1.03 5.28 -0.15 3.16 -4.23 -1.26 -1.12 115.64 116.28 2kct s THR 125 Ca 0.01 -0.58 0.18 0.00 -1.18 0.00 0.00 61.69 60.12 2kct s THR 125 Cb -0.09 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 2kct s THR 125 CO 0.02 0.02 0.88 0.29 -0.54 0.00 0.00 174.62 175.29 2kct n LYS 126 N -0.12 0.62 -3.92 3.99 5.02 -0.28 -4.84 118.16 118.63 2kct n LYS 126 Ca -0.06 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.07 2kct n LYS 126 Cb 0.53 -1.81 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 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 4.48 -1.41 -1.75 0.00 -0.04 -1.26 -4.88 135.00 130.14 2kct n PRO 128 Ca -0.17 -0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 62.07 2kct n PRO 128 Cb 0.52 -0.70 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 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 3.35 0.00 1.53 1.43 -1.26 -4.99 118.68 118.74 2kct s LEU 129 Ca 0.33 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 2kct s LEU 129 Cb -0.02 -2.51 0.08 0.00 0.03 0.00 0.00 46.19 43.76 2kct s LEU 129 CO 0.25 -2.72 0.81 1.21 0.23 0.00 0.00 176.35 176.12