#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 3.47 0.04 3.17 0.00 -1.26 -5.06 121.76 122.12 2kct s ALA 44 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 51.96 50.38 2kct s ALA 44 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 2kct s ALA 44 CO 0.00 -1.29 1.35 0.95 0.00 0.00 0.00 175.76 176.77 2kct s THR 45 N 2.15 3.67 -0.58 0.00 -4.23 -1.26 -4.95 115.64 110.45 2kct s THR 45 Ca 0.13 1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 61.52 2kct s THR 45 Cb -0.16 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.85 2kct s THR 45 CO 0.13 0.04 2.43 -2.65 -0.54 0.00 0.00 174.62 174.03 2kct n PRO 46 N 4.67 0.88 -4.21 3.99 -0.02 -1.26 -4.93 135.00 134.11 2kct n PRO 46 Ca 0.12 -0.19 -0.17 0.00 -2.02 0.00 0.00 63.50 61.23 2kct n PRO 46 Cb 0.44 -3.40 -0.13 0.00 -0.02 0.00 0.00 33.50 30.39 2kct n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kct s GLN 47 N 8.45 0.72 -0.85 -0.52 -0.21 -1.26 -5.10 119.66 120.89 2kct s GLN 47 Ca 0.99 -0.69 -0.23 0.00 0.02 0.00 0.00 55.36 55.45 2kct s GLN 47 Cb -0.22 -0.65 0.07 0.00 1.00 0.00 0.00 33.01 33.22 2kct s GLN 47 CO 0.24 0.15 1.21 -0.51 -2.12 0.00 0.00 175.29 174.26 2kct s ASP 48 N -1.18 6.39 0.00 5.90 1.11 -1.26 -4.88 116.67 122.75 2kct s ASP 48 Ca -0.02 -1.30 0.16 0.00 0.18 0.00 0.00 52.55 51.57 2kct s ASP 48 Cb -0.08 -2.49 0.46 0.00 1.07 0.00 0.00 42.92 41.89 2kct s ASP 48 CO 0.01 -1.44 1.38 0.29 1.18 0.00 0.00 175.17 176.59 2kct n LYS 49 N 8.07 2.04 -2.07 8.23 5.02 -1.26 -4.68 118.16 133.51 2kct n LYS 49 Ca 0.16 -1.60 -0.37 0.00 -2.02 0.00 0.00 58.31 54.48 2kct n LYS 49 Cb 0.49 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 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 0.80 4.27 0.10 -0.35 4.77 -1.26 -4.63 117.00 120.69 2kct n LEU 50 Ca 0.16 -3.49 0.13 0.00 -0.03 0.00 0.00 56.01 52.77 2kct n LEU 50 Cb 0.39 -1.64 0.43 0.00 -2.33 0.00 0.00 43.42 40.27 2kct n LEU 50 CO 0.11 -0.62 0.89 0.00 -1.33 0.00 0.00 177.39 176.45 2kct n HIS 51 N 10.44 0.85 -4.71 -1.77 1.44 -1.26 -4.71 115.22 115.50 2kct n HIS 51 Ca 0.48 0.25 -0.26 0.00 -2.01 0.00 0.00 57.72 56.18 2kct n HIS 51 Cb 0.45 -0.90 -0.14 0.00 0.12 0.00 0.00 29.99 29.51 2kct n HIS 51 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2kct s THR 52 N -3.10 1.63 -0.10 0.61 2.01 -1.26 -4.99 115.64 110.45 2kct s THR 52 Ca 0.11 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 61.01 2kct s THR 52 Cb 0.13 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2kct s THR 52 CO 0.59 0.26 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.92 2kct s VAL 53 N -0.73 2.82 -0.01 3.82 1.01 -0.61 -4.93 120.40 121.77 2kct s VAL 53 Ca 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2kct s VAL 53 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2kct s VAL 53 CO 0.01 0.55 0.18 -0.13 0.00 0.00 0.00 175.10 175.71 2kct s ARG 54 N 0.06 3.43 -0.06 2.72 0.52 -1.26 -1.26 118.95 123.10 2kct s ARG 54 Ca -0.06 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2kct s ARG 54 Cb -0.15 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.26 2kct s ARG 54 CO 0.05 0.67 -0.04 -1.17 0.02 0.00 0.00 175.30 174.83 2kct s LEU 55 N -1.95 1.17 -0.31 2.53 0.20 -0.85 -5.01 118.68 114.46 2kct s LEU 55 Ca 0.27 -0.15 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 2kct s LEU 55 Cb -0.13 -0.51 0.06 0.00 -0.43 0.00 0.00 46.19 45.19 2kct s LEU 55 CO 0.19 -0.09 0.01 -0.36 -0.29 0.00 0.00 176.35 175.81 2kct s PHE 56 N 1.21 3.33 0.00 5.38 0.08 -1.26 -2.24 117.98 124.48 2kct s PHE 56 Ca -0.06 -2.07 0.00 0.00 0.12 0.00 0.00 56.93 54.92 2kct s PHE 56 Cb -0.14 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2kct s PHE 56 CO -0.02 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 2kct n GLY 57 N 4.57 4.66 3.25 4.36 0.00 -1.18 -4.81 105.19 116.04 2kct n GLY 57 Ca -0.11 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.12 1.62 -0.24 2.61 2.01 -1.21 -2.53 115.64 117.78 2kct s THR 58 Ca 0.00 -1.27 -0.27 0.00 0.31 0.00 0.00 61.69 60.46 2kct s THR 58 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2kct s THR 58 CO 0.00 0.11 0.93 -0.69 -0.69 0.00 0.00 174.62 174.27 2kct s VAL 59 N -0.91 4.77 0.54 3.82 1.01 -0.31 -1.66 120.40 127.66 2kct s VAL 59 Ca 0.06 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 2kct s VAL 59 Cb -0.09 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2kct s VAL 59 CO 0.02 -0.12 1.09 0.00 0.00 0.00 0.00 175.10 176.09 2kct s ALA 60 N 3.00 2.74 0.09 5.51 0.00 -1.19 -2.22 121.76 129.69 2kct s ALA 60 Ca 0.39 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 2kct s ALA 60 Cb -0.15 -3.30 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 2kct s ALA 60 CO 0.07 -0.65 1.19 0.00 0.00 0.00 0.00 175.76 176.36 2kct h ALA 61 N 1.14 0.17 -2.37 0.00 0.00 -1.94 -3.38 119.26 112.88 2kct h ALA 61 Ca -0.49 -0.82 -0.65 0.00 0.00 0.00 0.00 54.91 52.95 2kct h ALA 61 Cb 1.24 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2kct h ALA 61 CO 0.57 0.90 0.02 0.34 0.00 0.00 0.00 179.25 181.09 2kct s ASP 62 N -7.16 6.34 0.00 0.00 2.15 -1.26 -3.74 116.67 113.00 2kct s ASP 62 Ca -0.05 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.87 2kct s ASP 62 Cb 0.07 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2kct s ASP 62 CO 0.88 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 2kct n GLY 63 N 4.81 0.55 3.59 2.66 0.00 -1.26 -4.83 105.19 110.72 2kct n GLY 63 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.50 -0.10 0.99 0.20 -1.25 -4.41 118.68 117.61 2kct s LEU 64 Ca 0.00 1.14 0.03 0.00 0.69 0.00 0.00 54.13 56.00 2kct s LEU 64 Cb 0.00 -3.42 0.00 0.00 -0.43 0.00 0.00 46.19 42.34 2kct s LEU 64 CO 0.00 -1.73 -0.21 -0.89 -0.29 0.00 0.00 176.35 173.23 2kct s THR 65 N 6.86 1.90 0.47 3.68 2.01 -0.07 -5.02 115.64 125.47 2kct s THR 65 Ca 0.76 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 2kct s THR 65 Cb -0.20 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.58 2kct s THR 65 CO 0.32 0.52 0.88 -0.04 -0.69 0.00 0.00 174.62 175.62 2kct s MET 66 N 0.53 3.85 -0.18 4.92 -1.94 -1.26 -0.40 119.30 124.82 2kct s MET 66 Ca -0.15 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 2kct s MET 66 Cb -0.17 -2.26 0.17 0.00 2.01 0.00 0.00 34.83 34.58 2kct s MET 66 CO 0.05 -0.17 1.70 1.28 -0.01 0.00 0.00 175.02 177.87 2kct n LEU 67 N -1.50 5.26 0.00 -0.03 4.77 -1.08 -4.80 117.00 119.61 2kct n LEU 67 Ca 0.04 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 2kct n LEU 67 Cb 0.54 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2kct n LEU 67 CO 0.47 0.94 0.00 0.47 -1.33 0.00 0.00 177.39 177.95 2kct n ASP 68 N 0.41 0.00 -1.90 -1.43 8.00 -1.26 -0.97 116.55 119.39 2kct n ASP 68 Ca 0.19 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.52 2kct n ASP 68 Cb 0.69 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.84 2kct n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kct n GLY 69 N 0.00 4.17 3.64 0.44 0.00 -1.26 -4.78 105.19 107.39 2kct n GLY 69 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.01 -1.89 -0.15 4.61 0.00 -0.14 -5.13 121.76 117.05 2kct s ALA 70 Ca 0.34 2.25 -0.29 0.00 0.00 0.00 0.00 51.96 54.26 2kct s ALA 70 Cb 0.27 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2kct s ALA 70 CO 0.00 -0.36 1.80 -2.14 0.00 0.00 0.00 175.76 175.07 2kct s PRO 71 N 1.13 3.79 0.00 0.00 0.02 -1.26 -4.20 135.00 134.47 2kct s PRO 71 Ca -0.06 1.98 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2kct s PRO 71 Cb -0.05 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.35 2kct s PRO 71 CO -0.12 -1.32 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 2kct n GLY 72 N 4.78 -1.32 3.40 0.52 0.00 -0.93 -1.04 105.19 110.61 2kct n GLY 72 Ca 0.21 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.31 -0.01 -0.21 1.61 0.11 -0.25 -2.64 120.40 116.69 2kct s VAL 73 Ca 0.00 0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2kct s VAL 73 Cb 0.00 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2kct s VAL 73 CO 0.00 0.02 0.04 -0.60 -3.33 0.00 0.00 175.10 171.23 2kct s ARG 74 N 1.03 3.72 0.11 1.54 3.52 0.47 -1.95 118.95 127.39 2kct s ARG 74 Ca -0.06 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 54.97 2kct s ARG 74 Cb -0.06 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2kct s ARG 74 CO -0.09 0.01 0.27 -0.59 -0.81 0.00 0.00 175.30 174.09 2kct s PHE 75 N 1.07 0.06 -0.40 5.12 -0.71 -1.10 -0.89 117.98 121.13 2kct s PHE 75 Ca 0.03 -0.45 -0.17 0.00 -1.04 0.00 0.00 56.93 55.30 2kct s PHE 75 Cb -0.14 0.05 0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2kct s PHE 75 CO 0.03 -0.62 0.43 -0.98 -1.34 0.00 0.00 175.22 172.73 2kct s ARG 76 N -3.86 3.24 -0.61 1.99 1.70 -1.26 -0.44 118.95 119.71 2kct s ARG 76 Ca 0.06 -0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 54.41 2kct s ARG 76 Cb 0.04 -3.92 0.03 0.00 -0.57 0.00 0.00 34.95 30.52 2kct s ARG 76 CO -0.10 -0.77 1.22 -1.17 -1.08 0.00 0.00 175.30 173.40 2kct s LEU 77 N 2.15 3.40 -0.10 -1.89 2.96 0.69 -3.19 118.68 122.69 2kct s LEU 77 Ca 0.13 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.76 2kct s LEU 77 Cb -0.17 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2kct s LEU 77 CO 0.13 -1.55 1.36 -1.61 -1.32 0.00 0.00 176.35 173.36 2kct s GLU 78 N 5.11 4.24 0.40 1.98 2.02 -0.66 -2.23 118.70 129.57 2kct s GLU 78 Ca 0.42 1.83 -0.23 0.00 0.02 0.00 0.00 54.97 57.01 2kct s GLU 78 Cb -0.08 -3.76 -0.10 0.00 0.10 0.00 0.00 34.13 30.30 2kct s GLU 78 CO 0.24 -0.69 0.99 0.34 0.02 0.00 0.00 175.26 176.16 2kct s ASP 79 N 2.20 6.90 -0.00 -0.19 2.15 -1.14 -3.33 116.67 123.27 2kct s ASP 79 Ca 0.60 1.85 0.12 0.00 0.43 0.00 0.00 52.55 55.55 2kct s ASP 79 Cb -0.26 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.66 2kct s ASP 79 CO 0.21 -0.38 0.51 0.29 -0.17 0.00 0.00 175.17 175.62 2kct n LYS 80 N -0.26 2.78 0.03 4.34 4.76 -1.26 -4.03 118.16 124.52 2kct n LYS 80 Ca 0.06 -0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.41 2kct n LYS 80 Cb 0.52 -1.09 -0.13 0.00 -1.84 0.00 0.00 35.03 32.48 2kct n LYS 80 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2kct h ASP 81 N 0.00 0.01 -2.42 4.39 3.32 -1.95 -3.44 116.42 116.33 2kct h ASP 81 Ca 0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.73 2kct h ASP 81 Cb 0.31 -0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.51 2kct h ASP 81 CO 0.00 1.01 -0.61 0.21 -1.72 0.00 0.00 179.24 178.13 2kct s ASN 82 N -6.48 1.32 0.19 6.45 3.84 -1.26 -5.03 114.94 113.97 2kct s ASN 82 Ca -0.01 -0.25 0.23 0.00 0.21 0.00 0.00 52.86 53.04 2kct s ASN 82 Cb 0.09 0.46 0.91 0.00 -0.55 0.00 0.00 41.25 42.16 2kct s ASN 82 CO 0.82 -0.33 1.71 1.07 -2.79 0.00 0.00 177.10 177.58 2kct n THR 83 N 5.32 0.73 0.99 -5.21 5.66 -1.26 -2.33 114.28 118.18 2kct n THR 83 Ca -0.05 0.08 0.13 0.00 -3.05 0.00 0.00 64.05 61.16 2kct n THR 83 Cb 0.49 -0.94 0.46 0.00 -1.55 0.00 0.00 70.33 68.79 2kct n THR 83 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kct n SER 84 N -2.10 0.22 -4.27 1.09 2.88 -1.26 -4.65 113.62 105.53 2kct n SER 84 Ca 0.04 0.20 -0.37 0.00 -1.33 0.00 0.00 58.87 57.40 2kct n SER 84 Cb 0.28 -0.19 -0.13 0.00 -0.75 0.00 0.00 64.21 63.42 2kct n SER 84 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2kct s LYS 85 N -3.00 2.69 -0.15 -1.46 2.20 -0.98 -5.08 119.74 113.95 2kct s LYS 85 Ca 0.13 -1.13 -0.01 0.00 -0.36 0.00 0.00 55.97 54.60 2kct s LYS 85 Cb 0.18 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2kct s LYS 85 CO 0.60 -0.62 -0.12 0.95 -0.36 0.00 0.00 175.35 175.81 2kct s THR 86 N 1.40 3.06 -0.16 3.43 -4.23 -1.26 -2.87 115.64 115.01 2kct s THR 86 Ca -0.01 -0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 59.77 2kct s THR 86 Cb -0.19 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2kct s THR 86 CO 0.02 0.51 0.11 -0.69 -0.54 0.00 0.00 174.62 174.03 2kct s VAL 87 N 0.61 5.28 0.10 2.29 1.01 -0.95 -4.91 120.40 123.83 2kct s VAL 87 Ca -0.07 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 2kct s VAL 87 Cb -0.15 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2kct s VAL 87 CO 0.03 0.52 0.70 0.26 0.00 0.00 0.00 175.10 176.61 2kct s TRP 88 N -0.21 3.83 -0.19 5.22 0.52 -1.26 -0.22 118.94 126.63 2kct s TRP 88 Ca 0.10 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.70 2kct s TRP 88 Cb -0.12 -2.70 0.03 0.00 -1.15 0.00 0.00 33.47 29.54 2kct s TRP 88 CO 0.01 0.47 -0.13 0.08 0.02 0.00 0.00 176.95 177.39 2kct s VAL 89 N -0.82 1.76 -0.78 4.03 1.01 0.42 -0.24 120.40 125.78 2kct s VAL 89 Ca 0.34 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2kct s VAL 89 Cb -0.21 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 34.57 2kct s VAL 89 CO 0.23 0.30 0.90 -0.22 0.00 0.00 0.00 175.10 176.31 2kct s LEU 90 N 1.37 5.50 -0.25 3.92 2.96 -0.51 -2.72 118.68 128.95 2kct s LEU 90 Ca 0.01 -1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 51.87 2kct s LEU 90 Cb -0.15 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 2kct s LEU 90 CO -0.10 -1.00 0.25 -0.47 -1.32 0.00 0.00 176.35 173.72 2kct s TYR 91 N 2.22 3.28 -0.27 5.38 5.04 -0.82 -1.86 117.35 130.32 2kct s TYR 91 Ca 0.22 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.09 2kct s TYR 91 Cb -0.13 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.78 2kct s TYR 91 CO -0.03 -0.07 0.04 0.15 -1.34 0.00 0.00 175.55 174.29 2kct s LYS 92 N 1.51 3.14 0.00 4.97 1.02 -1.26 -1.09 119.74 128.04 2kct s LYS 92 Ca 0.11 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.29 2kct s LYS 92 Cb -0.15 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 2kct s LYS 92 CO 0.08 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2kct n GLY 93 N 4.83 0.51 3.62 -3.33 0.00 -0.20 -4.91 105.19 105.69 2kct n GLY 93 Ca -0.16 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 3.06 -0.31 4.61 0.00 -1.26 -2.19 121.76 123.67 2kct s ALA 94 Ca 0.00 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 2kct s ALA 94 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 23.12 19.18 2kct s ALA 94 CO 0.00 -2.31 1.02 0.08 0.00 0.00 0.00 175.76 174.56 2kct s VAL 95 N 6.31 4.58 0.92 0.00 1.01 -1.26 -5.01 120.40 126.94 2kct s VAL 95 Ca 0.82 1.68 -0.13 0.00 0.00 0.00 0.00 61.98 64.35 2kct s VAL 95 Cb -0.27 -4.36 0.14 0.00 0.00 0.00 0.00 36.38 31.89 2kct s VAL 95 CO 0.33 -0.40 1.16 -2.16 0.00 0.00 0.00 175.10 174.03 2kct s PRO 96 N 3.48 1.09 0.45 2.72 0.04 -1.26 -4.96 135.00 136.55 2kct s PRO 96 Ca 0.43 0.17 0.25 0.00 0.04 0.00 0.00 61.00 61.89 2kct s PRO 96 Cb -0.13 -1.84 0.79 0.00 0.04 0.00 0.00 34.50 33.36 2kct s PRO 96 CO 0.14 -2.21 1.77 0.22 0.04 0.00 0.00 177.00 176.96 2kct h ASP 97 N -1.50 0.00 -0.03 6.66 1.82 -2.05 -2.96 116.42 118.36 2kct h ASP 97 Ca -0.49 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.11 2kct h ASP 97 Cb 1.32 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 2kct h ASP 97 CO 0.59 0.16 -0.07 0.74 -1.61 0.00 0.00 179.24 179.04 2kct h THR 98 N 0.00 1.16 -2.98 2.25 2.02 -1.97 -3.37 112.91 110.01 2kct h THR 98 Ca -0.00 -0.66 -0.57 0.00 0.77 0.00 0.00 66.41 65.95 2kct h THR 98 Cb 0.83 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 2kct h THR 98 CO 0.02 0.21 0.84 0.12 0.37 0.00 0.00 175.52 177.08 2kct s PHE 99 N -4.84 3.03 0.04 3.16 2.19 -1.12 -4.89 117.98 115.55 2kct s PHE 99 Ca -0.06 1.16 -0.27 0.00 0.33 0.00 0.00 56.93 58.09 2kct s PHE 99 Cb 0.16 -3.43 0.08 0.00 -1.31 0.00 0.00 43.02 38.52 2kct s PHE 99 CO 0.73 -1.32 0.69 -1.59 1.83 0.00 0.00 175.22 175.55 2kct s LYS 100 N 3.21 1.10 -0.31 10.12 -2.85 -1.26 -4.82 119.74 124.92 2kct s LYS 100 Ca 0.52 -0.14 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 2kct s LYS 100 Cb -0.20 0.51 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 2kct s LYS 100 CO 0.14 -0.43 2.27 -2.30 0.10 0.00 0.00 175.35 175.13 2kct n PRO 101 N 0.19 1.58 0.00 1.78 -0.02 -1.26 -2.27 135.00 134.99 2kct n PRO 101 Ca -0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2kct n PRO 101 Cb 0.61 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 2kct n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kct n GLY 102 N 5.98 1.28 3.83 -1.23 0.00 -0.94 -4.90 105.19 109.21 2kct n GLY 102 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.05 4.51 -0.07 1.61 0.11 -0.96 -4.75 120.40 119.80 2kct s VAL 103 Ca 0.00 1.26 -0.23 0.00 -2.93 0.00 0.00 61.98 60.07 2kct s VAL 103 Cb 0.00 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 2kct s VAL 103 CO 0.00 -0.29 0.70 -1.61 -3.33 0.00 0.00 175.10 170.57 2kct s GLU 104 N -3.15 4.43 0.05 1.54 2.02 -1.26 -1.16 118.70 121.17 2kct s GLU 104 Ca 0.59 0.87 0.09 0.00 0.02 0.00 0.00 54.97 56.55 2kct s GLU 104 Cb -0.09 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2kct s GLU 104 CO 0.16 0.05 -0.26 0.14 0.02 0.00 0.00 175.26 175.36 2kct s VAL 105 N 0.85 2.16 -0.39 2.63 -7.23 -1.05 -1.22 120.40 116.15 2kct s VAL 105 Ca 0.37 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.02 2kct s VAL 105 Cb -0.18 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 34.97 2kct s VAL 105 CO 0.18 0.34 0.21 -0.63 -0.31 0.00 0.00 175.10 174.89 2kct s ILE 106 N -0.83 4.19 -0.03 -0.62 1.01 0.34 -3.12 121.20 122.13 2kct s ILE 106 Ca 0.12 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 2kct s ILE 106 Cb -0.10 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2kct s ILE 106 CO 0.02 -0.38 0.22 0.27 0.00 0.00 0.00 174.94 175.07 2kct s ILE 107 N 1.44 5.38 -0.11 2.92 -4.36 -0.95 -1.33 121.20 124.20 2kct s ILE 107 Ca 0.02 0.11 -0.00 0.00 -0.26 0.00 0.00 60.65 60.52 2kct s ILE 107 Cb -0.21 -3.52 0.02 0.00 1.25 0.00 0.00 42.46 40.00 2kct s ILE 107 CO 0.03 0.43 -0.09 -1.61 0.24 0.00 0.00 174.94 173.94 2kct s GLU 108 N -1.60 1.61 0.00 0.37 2.02 -0.72 -2.00 118.70 118.38 2kct s GLU 108 Ca 0.24 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.94 2kct s GLU 108 Cb -0.13 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.48 2kct s GLU 108 CO 0.14 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2kct n GLY 109 N 4.84 -1.69 0.00 -1.39 0.00 -0.39 -0.60 105.19 105.96 2kct n GLY 109 Ca -0.14 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 2.42 3.70 -0.02 0.00 -0.64 -1.58 105.19 109.06 2kct n GLY 110 Ca 0.00 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 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 4.21 0.09 0.99 2.96 -1.26 -1.17 118.68 124.50 2kct s LEU 111 Ca 0.00 0.61 -0.27 0.00 -0.22 0.00 0.00 54.13 54.25 2kct s LEU 111 Cb 0.00 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 2kct s LEU 111 CO 0.00 -0.02 0.84 0.00 -1.32 0.00 0.00 176.35 175.84 2kct s ALA 112 N 0.94 3.34 0.54 5.97 0.00 -1.26 -4.97 121.76 126.33 2kct s ALA 112 Ca 0.21 0.40 0.23 0.00 0.00 0.00 0.00 51.96 52.80 2kct s ALA 112 Cb -0.14 -3.09 1.44 0.00 0.00 0.00 0.00 23.12 21.33 2kct s ALA 112 CO 0.08 0.06 2.09 -1.35 0.00 0.00 0.00 175.76 176.64 2kct h PRO 113 N 5.44 0.00 0.00 0.00 0.11 -1.98 -2.42 132.00 133.15 2kct h PRO 113 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kct h PRO 113 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kct h PRO 113 CO 0.71 0.00 -0.85 0.41 -0.21 0.00 0.00 178.00 178.06 2kct n GLY 114 N -1.53 -1.14 3.20 -0.55 0.00 -1.26 -4.86 105.19 99.04 2kct n GLY 114 Ca 0.03 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2kct n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kct s GLU 115 N -3.06 3.07 0.55 1.61 2.02 -0.91 -5.02 118.70 116.97 2kct s GLU 115 Ca 0.08 -0.83 0.26 0.00 0.02 0.00 0.00 54.97 54.49 2kct s GLU 115 Cb 0.16 -2.47 1.58 0.00 0.10 0.00 0.00 34.13 33.51 2kct s GLU 115 CO 0.79 0.01 2.18 -0.44 0.02 0.00 0.00 175.26 177.82 2kct h ASP 116 N 7.27 0.00 -3.38 -0.19 3.32 -1.89 -3.35 116.42 118.20 2kct h ASP 116 Ca -0.31 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 2kct h ASP 116 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 2kct h ASP 116 CO 0.55 0.04 0.17 0.28 -1.72 0.00 0.00 179.24 178.57 2kct s THR 117 N -4.60 4.97 -0.29 0.35 -1.32 -1.26 -4.51 115.64 108.98 2kct s THR 117 Ca -0.04 1.63 -0.29 0.00 -1.21 0.00 0.00 61.69 61.77 2kct s THR 117 Cb 0.15 -4.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.02 2kct s THR 117 CO 0.59 0.24 1.22 0.12 -2.21 0.00 0.00 174.62 174.58 2kct s PHE 118 N 0.76 2.85 -0.36 9.09 2.19 0.67 -4.19 117.98 129.00 2kct s PHE 118 Ca 0.41 0.99 -0.15 0.00 0.33 0.00 0.00 56.93 58.51 2kct s PHE 118 Cb -0.19 -3.78 -0.01 0.00 -1.31 0.00 0.00 43.02 37.73 2kct s PHE 118 CO 0.21 -1.41 0.36 0.15 1.83 0.00 0.00 175.22 176.36 2kct s LYS 119 N 3.91 3.47 -0.33 10.12 1.02 -0.31 -1.42 119.74 136.20 2kct s LYS 119 Ca 0.53 -0.51 -0.14 0.00 0.02 0.00 0.00 55.97 55.86 2kct s LYS 119 Cb -0.16 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.30 2kct s LYS 119 CO 0.19 -0.57 0.31 0.00 -0.92 0.00 0.00 175.35 174.36 2kct s ALA 120 N 1.99 3.51 0.08 5.17 0.00 -0.78 -1.62 121.76 130.11 2kct s ALA 120 Ca 0.11 -1.21 0.16 0.00 0.00 0.00 0.00 51.96 51.02 2kct s ALA 120 Cb -0.17 -2.73 0.41 0.00 0.00 0.00 0.00 23.12 20.64 2kct s ALA 120 CO 0.12 -0.94 1.61 0.07 0.00 0.00 0.00 175.76 176.61 2kct h ARG 121 N 8.43 0.00 -4.17 0.00 0.11 -1.17 -3.35 114.38 114.24 2kct h ARG 121 Ca -0.31 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.62 2kct h ARG 121 Cb 1.15 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.06 2kct h ARG 121 CO 0.65 0.48 -0.69 0.95 0.10 0.00 0.00 179.97 181.46 2kct s THR 122 N -3.35 0.21 -0.01 0.08 -4.23 -0.75 -4.95 115.64 102.65 2kct s THR 122 Ca 0.01 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2kct s THR 122 Cb 0.10 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.98 2kct s THR 122 CO 0.72 -0.76 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.80 2kct s LEU 123 N -2.26 1.77 0.19 4.79 0.20 -1.26 -1.76 118.68 120.35 2kct s LEU 123 Ca -0.03 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.77 2kct s LEU 123 Cb -0.00 -0.16 -0.05 0.00 -0.43 0.00 0.00 46.19 45.55 2kct s LEU 123 CO -0.06 -0.01 0.00 -0.32 -0.29 0.00 0.00 176.35 175.68 2kct s MET 124 N 0.25 1.19 0.08 1.98 -2.45 -0.44 -5.02 119.30 114.89 2kct s MET 124 Ca -0.02 -1.59 0.05 0.00 -1.25 0.00 0.00 55.69 52.88 2kct s MET 124 Cb -0.05 -0.37 -0.04 0.00 1.25 0.00 0.00 34.83 35.62 2kct s MET 124 CO -0.01 -0.13 -0.03 0.95 1.05 0.00 0.00 175.02 176.86 2kct s THR 125 N -3.59 3.84 -0.11 10.11 -4.23 -1.26 -0.51 115.64 119.90 2kct s THR 125 Ca 0.26 -1.03 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 2kct s THR 125 Cb 0.06 -2.81 -0.25 0.00 1.34 0.00 0.00 72.50 70.84 2kct s THR 125 CO 0.06 0.15 0.88 0.50 -0.54 0.00 0.00 174.62 175.66 2kct h LYS 126 N 3.59 0.03 -4.87 3.99 3.64 -1.48 -3.44 116.57 118.03 2kct h LYS 126 Ca -0.48 -0.05 -0.65 0.00 -1.27 0.00 0.00 60.65 58.20 2kct h LYS 126 Cb 1.17 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.80 2kct h LYS 126 CO 0.57 0.93 -0.55 0.00 -2.27 0.00 0.00 179.45 178.13 2kct n PRO 128 N 5.01 -0.06 -4.62 0.00 -0.04 -1.26 -4.76 135.00 129.27 2kct n PRO 128 Ca -0.14 -0.78 -0.29 0.00 -0.04 0.00 0.00 63.50 62.24 2kct n PRO 128 Cb 0.51 -0.35 -0.07 0.00 -0.04 0.00 0.00 33.50 33.55 2kct n PRO 128 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kct n LEU 129 N 0.00 0.00 -0.81 1.53 -0.00 -1.26 -5.15 117.00 111.32 2kct n LEU 129 Ca 0.05 -3.28 0.13 0.00 -0.00 0.00 0.00 56.01 52.91 2kct n LEU 129 Cb 0.19 0.80 0.24 0.00 -0.00 0.00 0.00 43.42 44.65 2kct n LEU 129 CO 0.14 -0.49 0.71 -1.84 -0.00 0.00 0.00 177.39 175.90