#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct n ALA 44 N 0.00 3.07 -2.01 -5.12 0.00 -1.26 -5.12 120.51 110.08 2kct n ALA 44 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2kct n ALA 44 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2kct n ALA 44 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kct n THR 45 N 0.00 -9.94 -1.44 0.00 -2.24 -1.26 -4.96 114.28 94.45 2kct n THR 45 Ca -0.21 2.95 -0.37 0.00 -2.27 0.00 0.00 64.05 64.16 2kct n THR 45 Cb 0.63 -4.44 0.07 0.00 -2.10 0.00 0.00 70.33 64.49 2kct n THR 45 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2kct n PRO 46 N 1.42 0.59 -1.69 -0.78 -0.02 -1.26 -4.88 135.00 128.37 2kct n PRO 46 Ca 0.00 0.25 -0.45 0.00 -2.02 0.00 0.00 63.50 61.28 2kct n PRO 46 Cb 0.00 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 2kct n PRO 46 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kct n GLN 47 N -1.22 2.36 -1.70 -0.52 -0.06 -1.26 -4.86 117.38 110.13 2kct n GLN 47 Ca 0.13 0.85 -0.43 0.00 -2.00 0.00 0.00 57.00 55.55 2kct n GLN 47 Cb 0.49 -2.64 -0.01 0.00 -4.06 0.00 0.00 30.24 24.02 2kct n GLN 47 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2kct n ASP 48 N 3.47 2.88 -0.04 1.69 5.75 -1.26 -4.97 116.55 124.06 2kct n ASP 48 Ca 0.16 1.18 -0.01 0.00 -0.01 0.00 0.00 54.79 56.11 2kct n ASP 48 Cb 0.31 -1.48 -0.00 0.00 -1.03 0.00 0.00 41.12 38.92 2kct n ASP 48 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2kct h LYS 49 N 3.26 0.00 0.00 0.11 1.79 -2.04 -3.46 116.57 116.23 2kct h LYS 49 Ca -0.46 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.97 2kct h LYS 49 Cb 1.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 2kct h LYS 49 CO 0.68 0.00 -0.97 1.28 -1.08 0.00 0.00 179.45 179.36 2kct n LEU 50 N -3.93 0.41 -1.60 2.94 4.77 -1.26 -5.03 117.00 113.30 2kct n LEU 50 Ca -0.02 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 2kct n LEU 50 Cb 0.08 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2kct n LEU 50 CO 0.03 -0.09 -0.18 1.57 -1.33 0.00 0.00 177.39 177.39 2kct n HIS 51 N -3.23 -0.15 -2.51 -1.77 -0.00 -1.26 -4.91 115.22 101.40 2kct n HIS 51 Ca -0.05 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.72 2kct n HIS 51 Cb 0.45 -3.28 -0.04 0.00 -0.12 0.00 0.00 29.99 26.99 2kct n HIS 51 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2kct s THR 52 N -2.63 3.69 -0.15 3.57 2.01 -1.26 -4.95 115.64 115.92 2kct s THR 52 Ca 0.00 1.58 -0.05 0.00 0.31 0.00 0.00 61.69 63.53 2kct s THR 52 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2kct s THR 52 CO 0.00 0.33 0.02 -0.69 -0.69 0.00 0.00 174.62 173.59 2kct s VAL 53 N -0.71 4.45 -0.13 3.82 1.01 -0.60 -4.93 120.40 123.31 2kct s VAL 53 Ca 0.47 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2kct s VAL 53 Cb -0.30 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2kct s VAL 53 CO 0.38 0.52 -0.21 -0.60 0.00 0.00 0.00 175.10 175.18 2kct s ARG 54 N -0.03 3.09 0.38 2.72 3.52 -1.26 -1.29 118.95 126.08 2kct s ARG 54 Ca 0.04 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2kct s ARG 54 Cb -0.13 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.77 2kct s ARG 54 CO 0.02 0.07 0.05 -0.51 -0.81 0.00 0.00 175.30 174.12 2kct s LEU 55 N 0.62 2.30 0.04 -0.88 1.43 -0.36 -5.01 118.68 116.82 2kct s LEU 55 Ca -0.11 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 51.55 2kct s LEU 55 Cb -0.16 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2kct s LEU 55 CO 0.03 -0.66 -0.08 -0.36 0.23 0.00 0.00 176.35 175.50 2kct s PHE 56 N -3.11 0.70 -0.05 0.29 0.08 -1.26 -1.75 117.98 112.87 2kct s PHE 56 Ca 0.30 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2kct s PHE 56 Cb 0.07 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 2kct s PHE 56 CO 0.14 -0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.62 2kct n GLY 57 N 1.75 -1.23 3.31 4.36 0.00 -1.07 -3.41 105.19 108.90 2kct n GLY 57 Ca -0.21 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.93 1.98 -0.26 2.61 2.01 -1.22 -1.14 115.64 116.69 2kct s THR 58 Ca 0.00 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 2kct s THR 58 Cb 0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 2kct s THR 58 CO 0.00 0.32 1.42 -0.69 -0.69 0.00 0.00 174.62 174.99 2kct s VAL 59 N -0.79 3.97 0.40 3.82 1.01 -0.76 -1.54 120.40 126.51 2kct s VAL 59 Ca 0.10 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.96 2kct s VAL 59 Cb -0.10 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2kct s VAL 59 CO 0.02 -0.39 0.96 0.00 0.00 0.00 0.00 175.10 175.69 2kct s ALA 60 N 4.65 3.08 -1.43 5.51 0.00 -0.43 -1.45 121.76 131.69 2kct s ALA 60 Ca 0.62 0.46 0.24 0.00 0.00 0.00 0.00 51.96 53.28 2kct s ALA 60 Cb -0.20 -3.17 1.19 0.00 0.00 0.00 0.00 23.12 20.94 2kct s ALA 60 CO 0.25 0.11 1.78 0.00 0.00 0.00 0.00 175.76 177.90 2kct n ALA 61 N -0.28 2.20 -2.72 0.00 0.00 -1.26 -4.52 120.51 113.94 2kct n ALA 61 Ca 0.06 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 2kct n ALA 61 Cb 0.53 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2kct n ALA 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kct s ASP 62 N -2.57 6.79 -0.42 0.00 1.11 -1.26 -4.37 116.67 115.96 2kct s ASP 62 Ca 0.22 0.95 0.00 0.00 0.18 0.00 0.00 52.55 53.90 2kct s ASP 62 Cb 0.16 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.81 2kct s ASP 62 CO 0.36 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 177.27 2kct n GLY 63 N 3.23 0.67 3.56 0.21 0.00 -1.26 -3.30 105.19 108.30 2kct n GLY 63 Ca -0.05 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.91 3.43 -0.18 0.99 0.20 -1.26 -3.87 118.68 117.08 2kct s LEU 64 Ca 0.00 -1.30 -0.03 0.00 0.69 0.00 0.00 54.13 53.49 2kct s LEU 64 Cb 0.00 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2kct s LEU 64 CO 0.00 -1.80 -0.06 -0.89 -0.29 0.00 0.00 176.35 173.30 2kct s THR 65 N 6.22 3.41 0.22 3.68 2.01 0.14 -5.00 115.64 126.31 2kct s THR 65 Ca 0.52 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2kct s THR 65 Cb -0.01 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 2kct s THR 65 CO -0.07 0.46 0.91 -0.04 -0.69 0.00 0.00 174.62 175.19 2kct s MET 66 N 0.93 4.80 0.19 4.92 1.00 -1.26 -0.85 119.30 129.03 2kct s MET 66 Ca -0.01 1.42 -0.30 0.00 0.00 0.00 0.00 55.69 56.80 2kct s MET 66 Cb -0.15 -3.28 -0.09 0.00 0.00 0.00 0.00 34.83 31.31 2kct s MET 66 CO 0.01 0.51 1.40 -0.51 0.00 0.00 0.00 175.02 176.42 2kct s LEU 67 N -1.11 4.39 -0.28 -0.03 1.43 -0.99 -4.89 118.68 117.20 2kct s LEU 67 Ca 0.40 2.50 -0.23 0.00 -1.03 0.00 0.00 54.13 55.77 2kct s LEU 67 Cb -0.25 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 2kct s LEU 67 CO 0.31 -0.64 0.77 -1.81 0.23 0.00 0.00 176.35 175.20 2kct s ASP 68 N 0.58 6.69 0.00 2.29 1.01 -1.26 -4.41 116.67 121.58 2kct s ASP 68 Ca 0.61 0.77 0.00 0.00 0.71 0.00 0.00 52.55 54.64 2kct s ASP 68 Cb -0.39 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.14 2kct s ASP 68 CO 0.37 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 175.83 2kct n GLY 69 N 4.07 1.77 3.76 0.21 0.00 -1.26 -4.94 105.19 108.80 2kct n GLY 69 Ca 0.03 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.41 0.20 4.61 0.00 -1.26 -5.03 121.76 123.69 2kct s ALA 70 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2kct s ALA 70 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 2kct s ALA 70 CO 0.00 -0.17 1.19 -1.25 0.00 0.00 0.00 175.76 175.54 2kct s PRO 71 N -1.42 4.50 0.00 0.00 0.04 -1.26 -4.51 135.00 132.35 2kct s PRO 71 Ca 0.45 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2kct s PRO 71 Cb -0.32 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2kct s PRO 71 CO 0.41 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.80 2kct n GLY 72 N 2.03 0.56 3.64 0.56 0.00 -0.94 -1.52 105.19 109.52 2kct n GLY 72 Ca 0.04 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 -0.12 1.61 0.11 -0.94 -2.35 120.40 116.40 2kct s VAL 73 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2kct s VAL 73 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2kct s VAL 73 CO 0.00 0.00 0.09 -0.60 -3.33 0.00 0.00 175.10 171.26 2kct s ARG 74 N 1.37 3.41 0.25 1.54 3.52 -0.03 -1.02 118.95 127.99 2kct s ARG 74 Ca -0.08 -0.25 -0.19 0.00 -0.13 0.00 0.00 55.73 55.08 2kct s ARG 74 Cb -0.05 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 2kct s ARG 74 CO -0.15 0.67 0.64 -0.59 -0.81 0.00 0.00 175.30 175.05 2kct s PHE 75 N -0.73 -0.13 -0.20 5.12 -0.71 -1.12 -0.68 117.98 119.52 2kct s PHE 75 Ca 0.13 -0.27 -0.17 0.00 -1.04 0.00 0.00 56.93 55.58 2kct s PHE 75 Cb -0.12 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 2kct s PHE 75 CO 0.03 -1.12 0.44 1.03 -1.34 0.00 0.00 175.22 174.26 2kct s ARG 76 N -3.91 4.17 -0.21 1.99 0.52 -1.21 -1.18 118.95 119.12 2kct s ARG 76 Ca 0.11 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.53 2kct s ARG 76 Cb -0.04 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2kct s ARG 76 CO 0.04 -0.09 0.06 -1.17 0.02 0.00 0.00 175.30 174.15 2kct s LEU 77 N 1.47 3.60 -0.72 2.53 2.96 -0.01 -1.32 118.68 127.20 2kct s LEU 77 Ca 0.21 -0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.79 2kct s LEU 77 Cb -0.15 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 2kct s LEU 77 CO 0.09 0.09 1.74 -1.61 -1.32 0.00 0.00 176.35 175.33 2kct s GLU 78 N 0.90 2.78 0.22 1.98 2.02 -0.59 -1.30 118.70 124.71 2kct s GLU 78 Ca 0.03 0.16 -0.32 0.00 0.02 0.00 0.00 54.97 54.86 2kct s GLU 78 Cb -0.14 -4.54 -0.12 0.00 0.10 0.00 0.00 34.13 29.43 2kct s GLU 78 CO 0.03 -2.71 1.71 -3.47 0.02 0.00 0.00 175.26 170.83 2kct n ASP 79 N 12.09 3.95 0.13 -0.19 2.03 -1.13 -3.46 116.55 129.98 2kct n ASP 79 Ca 0.22 1.07 0.01 0.00 0.52 0.00 0.00 54.79 56.61 2kct n ASP 79 Cb 0.50 -1.57 0.34 0.00 -0.72 0.00 0.00 41.12 39.67 2kct n ASP 79 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kct h LYS 80 N 6.52 0.18 0.01 -0.67 2.10 -1.92 -2.61 116.57 120.19 2kct h LYS 80 Ca -0.44 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2kct h LYS 80 Cb 1.21 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2kct h LYS 80 CO 0.94 0.44 -0.00 0.22 -2.00 0.00 0.00 179.45 179.04 2kct h ASP 81 N 0.17 -0.01 -3.53 7.07 3.58 -1.91 -3.43 116.42 118.36 2kct h ASP 81 Ca 0.03 -0.82 -0.61 0.00 0.42 0.00 0.00 57.03 56.04 2kct h ASP 81 Cb 0.56 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.21 2kct h ASP 81 CO 0.04 0.85 -0.73 0.21 -2.88 0.00 0.00 179.24 176.73 2kct s ASN 82 N -6.05 3.82 0.00 2.28 3.04 -1.17 -4.95 114.94 111.90 2kct s ASN 82 Ca -0.17 -2.48 0.21 0.00 0.04 0.00 0.00 52.86 50.46 2kct s ASN 82 Cb -0.02 -1.09 1.24 0.00 -1.54 0.00 0.00 41.25 39.85 2kct s ASN 82 CO 0.64 -0.29 1.74 1.07 -3.04 0.00 0.00 177.10 177.22 2kct n THR 83 N 3.75 0.00 0.55 -5.21 5.66 -0.99 -2.08 114.28 115.96 2kct n THR 83 Ca 0.06 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.10 2kct n THR 83 Cb 0.36 -0.40 0.15 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.86 2.38 -3.71 1.09 7.64 -1.26 -4.86 113.62 114.05 2kct n SER 84 Ca 0.16 -2.23 -0.13 0.00 1.01 0.00 0.00 58.87 57.67 2kct n SER 84 Cb 0.07 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.66 0.58 -0.13 1.43 2.20 -0.88 -5.14 119.74 116.13 2kct s LYS 85 Ca 0.20 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.51 2kct s LYS 85 Cb 0.14 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 2kct s LYS 85 CO 0.09 -0.07 -0.18 0.95 -0.36 0.00 0.00 175.35 175.78 2kct s THR 86 N 0.25 2.53 -0.16 3.43 -4.23 -1.26 -2.83 115.64 113.37 2kct s THR 86 Ca -0.00 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 2kct s THR 86 Cb -0.03 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2kct s THR 86 CO 0.01 0.53 0.12 -0.69 -0.54 0.00 0.00 174.62 174.05 2kct s VAL 87 N 0.55 5.34 -0.01 2.29 1.01 -0.42 -4.73 120.40 124.43 2kct s VAL 87 Ca -0.11 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2kct s VAL 87 Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2kct s VAL 87 CO 0.04 0.52 1.26 0.26 0.00 0.00 0.00 175.10 177.18 2kct s TRP 88 N -0.24 3.15 -0.39 5.22 0.52 -1.26 -0.83 118.94 125.11 2kct s TRP 88 Ca 0.10 1.12 -0.08 0.00 0.02 0.00 0.00 56.10 57.26 2kct s TRP 88 Cb -0.12 -3.49 0.07 0.00 -1.15 0.00 0.00 33.47 28.78 2kct s TRP 88 CO 0.01 -1.64 0.21 0.08 0.02 0.00 0.00 176.95 175.63 2kct s VAL 89 N 2.02 4.09 -0.85 4.03 1.01 -0.33 -0.06 120.40 130.31 2kct s VAL 89 Ca 0.59 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2kct s VAL 89 Cb -0.28 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 32.78 2kct s VAL 89 CO 0.25 -0.42 1.01 -0.22 0.00 0.00 0.00 175.10 175.72 2kct s LEU 90 N 1.41 5.29 0.37 3.92 2.96 -0.07 -2.80 118.68 129.76 2kct s LEU 90 Ca 0.02 -1.98 -0.17 0.00 -0.22 0.00 0.00 54.13 51.78 2kct s LEU 90 Cb -0.22 -2.36 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 2kct s LEU 90 CO 0.02 -1.03 0.82 -0.47 -1.32 0.00 0.00 176.35 174.38 2kct s TYR 91 N 2.43 3.35 -0.05 5.38 5.04 -0.19 -0.92 117.35 132.40 2kct s TYR 91 Ca 0.27 1.37 -0.01 0.00 -2.44 0.00 0.00 57.07 56.26 2kct s TYR 91 Cb -0.09 -2.66 0.03 0.00 0.35 0.00 0.00 41.96 39.59 2kct s TYR 91 CO -0.06 0.00 0.02 0.15 -1.34 0.00 0.00 175.55 174.33 2kct s LYS 92 N -3.10 0.27 0.00 4.97 1.02 -1.13 -2.21 119.74 119.55 2kct s LYS 92 Ca 0.57 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.76 2kct s LYS 92 Cb -0.10 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 2kct s LYS 92 CO 0.16 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2kct n GLY 93 N 4.95 0.30 3.64 -3.33 0.00 -0.57 -4.80 105.19 105.37 2kct n GLY 93 Ca -0.11 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.93 3.34 -0.04 4.61 0.00 -1.26 -2.20 121.76 124.28 2kct s ALA 94 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2kct s ALA 94 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2kct s ALA 94 CO 0.00 -1.86 1.03 0.08 0.00 0.00 0.00 175.76 175.01 2kct s VAL 95 N 5.22 4.71 0.24 0.00 1.01 -1.26 -5.01 120.40 125.32 2kct s VAL 95 Ca 0.79 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 64.42 2kct s VAL 95 Cb -0.31 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.68 2kct s VAL 95 CO 0.32 0.08 1.60 -0.81 0.00 0.00 0.00 175.10 176.30 2kct n PRO 96 N 4.44 2.55 0.25 2.72 -0.04 -1.26 -4.90 135.00 138.76 2kct n PRO 96 Ca 0.08 0.91 0.10 0.00 -0.04 0.00 0.00 63.50 64.55 2kct n PRO 96 Cb 0.49 -2.70 0.65 0.00 -0.04 0.00 0.00 33.50 31.90 2kct n PRO 96 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kct h ASP 97 N 5.45 0.00 0.85 3.54 2.03 -2.02 -2.29 116.42 123.99 2kct h ASP 97 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2kct h ASP 97 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2kct h ASP 97 CO 0.85 0.15 0.00 0.35 -1.03 0.00 0.00 179.24 179.56 2kct n THR 98 N -3.83 0.74 -1.88 1.15 -2.24 -1.26 -4.69 114.28 102.27 2kct n THR 98 Ca -0.02 0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 2kct n THR 98 Cb 0.25 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 2kct n THR 98 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kct s PHE 99 N -3.18 1.87 0.07 4.78 5.36 -0.86 -4.80 117.98 121.21 2kct s PHE 99 Ca 0.07 0.02 -0.20 0.00 -0.96 0.00 0.00 56.93 55.86 2kct s PHE 99 Cb 0.11 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 38.80 2kct s PHE 99 CO 0.42 -4.40 0.47 -1.59 -1.46 0.00 0.00 175.22 168.66 2kct s LYS 100 N 3.83 1.02 -0.58 10.12 -2.85 -1.26 -5.03 119.74 124.99 2kct s LYS 100 Ca 0.78 -0.39 -0.26 0.00 -1.00 0.00 0.00 55.97 55.10 2kct s LYS 100 Cb -0.38 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 2kct s LYS 100 CO 0.34 -0.38 2.02 -2.14 0.10 0.00 0.00 175.35 175.29 2kct s PRO 101 N -2.82 2.47 0.00 1.78 0.02 -1.26 -2.40 135.00 132.79 2kct s PRO 101 Ca -0.03 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2kct s PRO 101 Cb -0.00 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.07 2kct s PRO 101 CO -0.05 -2.90 0.00 0.41 -0.33 0.00 0.00 177.00 174.13 2kct n GLY 102 N 5.80 0.35 3.85 0.52 0.00 -0.53 -4.90 105.19 110.29 2kct n GLY 102 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.14 5.10 -0.21 1.61 0.11 -1.01 -4.87 120.40 119.99 2kct s VAL 103 Ca 0.00 0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 59.41 2kct s VAL 103 Cb 0.00 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2kct s VAL 103 CO 0.00 0.50 1.38 -1.61 -3.33 0.00 0.00 175.10 172.04 2kct s GLU 104 N -1.31 4.04 0.10 1.54 2.02 -1.26 -1.83 118.70 122.00 2kct s GLU 104 Ca 0.25 1.58 0.06 0.00 0.02 0.00 0.00 54.97 56.88 2kct s GLU 104 Cb -0.15 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 2kct s GLU 104 CO 0.14 -0.97 -0.03 0.14 0.02 0.00 0.00 175.26 174.55 2kct s VAL 105 N 4.17 3.79 -0.35 2.63 -7.23 -0.29 -1.53 120.40 121.58 2kct s VAL 105 Ca 0.60 -1.11 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 2kct s VAL 105 Cb -0.22 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 33.94 2kct s VAL 105 CO 0.22 0.10 0.17 -0.63 -0.31 0.00 0.00 175.10 174.65 2kct s ILE 106 N -1.30 4.41 -0.07 -0.62 1.01 -0.09 -2.61 121.20 121.93 2kct s ILE 106 Ca 0.24 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2kct s ILE 106 Cb -0.11 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2kct s ILE 106 CO 0.17 -0.12 0.22 0.27 0.00 0.00 0.00 174.94 175.47 2kct s ILE 107 N 1.54 5.38 -0.06 2.92 -4.36 -0.72 -1.60 121.20 124.30 2kct s ILE 107 Ca 0.02 0.32 -0.04 0.00 -0.26 0.00 0.00 60.65 60.69 2kct s ILE 107 Cb -0.18 -3.49 0.03 0.00 1.25 0.00 0.00 42.46 40.06 2kct s ILE 107 CO 0.06 0.56 0.15 -0.70 0.24 0.00 0.00 174.94 175.25 2kct s GLU 108 N -1.18 0.12 0.00 0.37 2.12 -0.73 -1.22 118.70 118.18 2kct s GLU 108 Ca 0.19 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2kct s GLU 108 Cb -0.13 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.16 2kct s GLU 108 CO 0.08 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2kct n GLY 109 N 3.84 -1.19 0.00 -1.50 0.00 -0.41 -0.46 105.19 105.48 2kct n GLY 109 Ca -0.22 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 2.63 3.81 -0.02 0.00 -0.47 -1.55 105.19 109.59 2kct n GLY 110 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 3.95 0.14 0.99 2.96 -1.26 -1.79 118.68 123.67 2kct s LEU 111 Ca 0.00 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 2kct s LEU 111 Cb 0.00 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2kct s LEU 111 CO 0.00 0.19 -0.15 0.00 -1.32 0.00 0.00 176.35 175.06 2kct s ALA 112 N -1.38 2.77 0.25 5.97 0.00 -1.26 -5.03 121.76 123.07 2kct s ALA 112 Ca 0.29 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2kct s ALA 112 Cb -0.12 -0.67 0.42 0.00 0.00 0.00 0.00 23.12 22.74 2kct s ALA 112 CO 0.22 0.56 1.79 -1.35 0.00 0.00 0.00 175.76 176.98 2kct h PRO 113 N 3.47 0.70 -0.99 0.00 0.11 -2.01 -2.24 132.00 131.05 2kct h PRO 113 Ca -0.49 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.25 2kct h PRO 113 Cb 1.18 -0.16 -0.20 0.00 0.11 0.00 0.00 31.00 31.93 2kct h PRO 113 CO 0.49 0.47 0.42 0.41 -0.21 0.00 0.00 178.00 179.58 2kct n GLY 114 N -1.32 3.63 2.96 -0.55 0.00 -1.26 -4.89 105.19 103.76 2kct n GLY 114 Ca 0.14 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.22 1.32 0.00 1.61 2.56 -0.84 -5.04 118.70 116.09 2kct s GLU 115 Ca 0.38 -0.27 0.26 0.00 0.00 0.00 0.00 54.97 55.35 2kct s GLU 115 Cb 0.32 -1.19 0.61 0.00 2.00 0.00 0.00 34.13 35.87 2kct s GLU 115 CO 0.08 -0.05 1.48 -0.40 -0.56 0.00 0.00 175.26 175.80 2kct n ASP 116 N 4.05 1.39 -4.00 -1.70 5.75 -1.26 -4.63 116.55 116.14 2kct n ASP 116 Ca -0.22 -1.15 -0.18 0.00 -0.01 0.00 0.00 54.79 53.22 2kct n ASP 116 Cb 0.51 0.18 -0.15 0.00 -1.03 0.00 0.00 41.12 40.64 2kct n ASP 116 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kct s THR 117 N -2.41 0.63 -0.14 2.12 -1.32 -1.26 -4.50 115.64 108.77 2kct s THR 117 Ca 0.25 -0.33 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 2kct s THR 117 Cb 0.19 -0.54 -0.02 0.00 -1.51 0.00 0.00 72.50 70.62 2kct s THR 117 CO 0.50 0.18 1.37 0.12 -2.21 0.00 0.00 174.62 174.58 2kct s PHE 118 N -0.10 2.60 -0.73 9.09 2.19 0.92 -4.72 117.98 127.22 2kct s PHE 118 Ca 0.02 0.78 -0.26 0.00 0.33 0.00 0.00 56.93 57.80 2kct s PHE 118 Cb -0.04 -3.63 -0.03 0.00 -1.31 0.00 0.00 43.02 38.01 2kct s PHE 118 CO -0.00 -2.30 1.87 0.21 1.83 0.00 0.00 175.22 176.83 2kct s LYS 119 N 3.68 2.63 -0.63 10.12 2.20 -0.74 -0.90 119.74 136.11 2kct s LYS 119 Ca 0.60 0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 56.20 2kct s LYS 119 Cb -0.25 -4.64 0.05 0.00 -1.51 0.00 0.00 37.83 31.48 2kct s LYS 119 CO 0.19 -2.94 0.99 0.00 -0.36 0.00 0.00 175.35 173.23 2kct s ALA 120 N 9.27 3.09 0.19 3.13 0.00 -0.09 -1.36 121.76 135.99 2kct s ALA 120 Ca 0.67 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 2kct s ALA 120 Cb -0.10 -3.86 0.12 0.00 0.00 0.00 0.00 23.12 19.28 2kct s ALA 120 CO 0.12 -2.68 1.76 -0.09 0.00 0.00 0.00 175.76 174.87 2kct h ARG 121 N 9.52 1.03 -4.46 0.00 2.43 -1.02 -2.98 114.38 118.90 2kct h ARG 121 Ca -0.28 -0.18 -0.32 0.00 -0.81 0.00 0.00 59.98 58.40 2kct h ARG 121 Cb 1.07 -0.17 -0.26 0.00 -0.42 0.00 0.00 29.97 30.19 2kct h ARG 121 CO 1.16 0.84 -0.75 0.99 -1.51 0.00 0.00 179.97 180.70 2kct s THR 122 N -5.60 0.50 -0.05 0.20 2.01 -0.44 -4.61 115.64 107.65 2kct s THR 122 Ca -0.13 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 2kct s THR 122 Cb 0.14 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2kct s THR 122 CO 0.81 -0.04 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.48 2kct s LEU 123 N -0.63 0.90 0.14 4.42 2.96 -1.26 -1.77 118.68 123.44 2kct s LEU 123 Ca -0.02 -0.06 0.10 0.00 -0.22 0.00 0.00 54.13 53.93 2kct s LEU 123 Cb -0.05 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 2kct s LEU 123 CO 0.00 -0.14 -0.24 -0.32 -1.32 0.00 0.00 176.35 174.33 2kct s MET 124 N 1.46 1.36 0.01 1.98 -2.45 -0.63 -4.83 119.30 116.20 2kct s MET 124 Ca -0.03 -1.36 0.02 0.00 -1.25 0.00 0.00 55.69 53.07 2kct s MET 124 Cb -0.13 -1.73 -0.04 0.00 1.25 0.00 0.00 34.83 34.18 2kct s MET 124 CO -0.03 0.40 -0.01 0.95 1.05 0.00 0.00 175.02 177.38 2kct s THR 125 N -1.31 4.03 -0.01 10.11 -4.23 -1.26 -0.91 115.64 122.06 2kct s THR 125 Ca 0.14 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2kct s THR 125 Cb -0.09 -2.81 -0.26 0.00 1.34 0.00 0.00 72.50 70.68 2kct s THR 125 CO 0.07 0.34 0.79 0.11 -0.54 0.00 0.00 174.62 175.39 2kct h LYS 126 N 4.23 0.18 -5.16 3.99 1.57 -1.66 -3.47 116.57 116.26 2kct h LYS 126 Ca -0.49 -0.32 -0.65 0.00 -1.87 0.00 0.00 60.65 57.33 2kct h LYS 126 Cb 1.17 0.12 -0.33 0.00 0.08 0.00 0.00 32.23 33.27 2kct h LYS 126 CO 0.57 1.00 -0.87 0.00 -0.57 0.00 0.00 179.45 179.58 2kct n PRO 128 N 3.64 0.10 -3.04 0.00 -0.04 -1.26 -4.93 135.00 129.47 2kct n PRO 128 Ca -0.20 -0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 62.78 2kct n PRO 128 Cb 0.53 -0.02 -0.05 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 4.86 0.00 1.53 1.43 -1.26 -5.06 118.68 120.19 2kct s LEU 129 Ca 0.01 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2kct s LEU 129 Cb -0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2kct s LEU 129 CO 0.01 -1.12 0.00 -1.84 0.23 0.00 0.00 176.35 173.63