#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct h ALA 44 N 0.00 -0.33 -2.15 3.04 0.00 -2.14 -3.43 119.26 114.26 2kct h ALA 44 Ca 0.00 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 2kct h ALA 44 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2kct h ALA 44 CO 0.00 -0.38 1.00 0.99 0.00 0.00 0.00 179.25 180.87 2kct s THR 45 N -3.42 3.96 0.05 0.00 2.01 -1.26 -4.98 115.64 112.01 2kct s THR 45 Ca -0.11 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.72 2kct s THR 45 Cb 0.01 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 2kct s THR 45 CO 0.39 -0.17 1.93 -0.81 -0.69 0.00 0.00 174.62 175.28 2kct n PRO 46 N 7.00 2.81 -2.95 4.92 -0.04 -1.26 -4.96 135.00 140.52 2kct n PRO 46 Ca 0.16 1.03 -0.43 0.00 -0.04 0.00 0.00 63.50 64.21 2kct n PRO 46 Cb 0.44 -2.96 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 2kct n PRO 46 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kct s GLN 47 N 3.97 3.16 -0.11 0.54 -1.52 -1.26 -4.94 119.66 119.50 2kct s GLN 47 Ca 0.87 -0.76 0.01 0.00 -1.95 0.00 0.00 55.36 53.53 2kct s GLN 47 Cb -0.47 -4.16 0.15 0.00 -0.22 0.00 0.00 33.01 28.31 2kct s GLN 47 CO 0.41 -1.57 1.31 -0.25 -0.25 0.00 0.00 175.29 174.95 2kct n ASP 48 N 7.13 3.50 0.18 5.90 8.00 -1.26 -4.06 116.55 135.93 2kct n ASP 48 Ca -0.04 -2.42 0.14 0.00 0.71 0.00 0.00 54.79 53.18 2kct n ASP 48 Cb 0.46 -0.64 0.49 0.00 -0.02 0.00 0.00 41.12 41.41 2kct n ASP 48 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2kct h LYS 49 N 0.35 0.00 -0.29 -1.24 6.56 -2.03 -2.44 116.57 117.48 2kct h LYS 49 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2kct h LYS 49 Cb 1.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 2kct h LYS 49 CO 0.27 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.94 2kct n LEU 50 N -2.60 1.08 -4.58 2.94 4.32 -1.26 -4.67 117.00 112.23 2kct n LEU 50 Ca 0.03 -0.54 -0.31 0.00 -0.02 0.00 0.00 56.01 55.17 2kct n LEU 50 Cb 0.33 -0.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 2kct n LEU 50 CO 0.26 0.24 1.57 -1.00 -1.22 0.00 0.00 177.39 177.24 2kct s HIS 51 N -1.71 2.10 0.06 -1.77 3.76 -0.92 -4.88 115.29 111.93 2kct s HIS 51 Ca 0.11 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2kct s HIS 51 Cb 0.06 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.57 2kct s HIS 51 CO 0.07 -1.36 -0.04 0.95 -0.85 0.00 0.00 174.74 173.51 2kct s THR 52 N 9.68 0.39 -0.31 1.30 -4.23 -1.26 -5.09 115.64 116.12 2kct s THR 52 Ca 0.66 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 2kct s THR 52 Cb -0.00 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 2kct s THR 52 CO 0.11 -0.91 0.25 -0.69 -0.54 0.00 0.00 174.62 172.84 2kct s VAL 53 N -3.60 5.27 -0.23 2.29 1.01 -0.56 -4.94 120.40 119.63 2kct s VAL 53 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2kct s VAL 53 Cb 0.05 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2kct s VAL 53 CO -0.07 0.08 -0.09 -0.60 0.00 0.00 0.00 175.10 174.41 2kct s ARG 54 N 1.81 2.90 0.12 2.72 3.52 -1.26 -1.16 118.95 127.59 2kct s ARG 54 Ca 0.08 -0.92 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 2kct s ARG 54 Cb -0.17 -2.89 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 2kct s ARG 54 CO 0.11 -0.34 0.17 -0.51 -0.81 0.00 0.00 175.30 173.92 2kct s LEU 55 N 1.32 4.04 -0.12 -0.88 1.43 -0.03 -4.98 118.68 119.46 2kct s LEU 55 Ca 0.01 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2kct s LEU 55 Cb -0.16 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.43 2kct s LEU 55 CO -0.06 0.11 -0.10 -0.36 0.23 0.00 0.00 176.35 176.17 2kct s PHE 56 N -1.61 1.67 0.10 0.29 0.40 -1.26 -1.89 117.98 115.68 2kct s PHE 56 Ca 0.32 -0.84 -0.20 0.00 -0.60 0.00 0.00 56.93 55.60 2kct s PHE 56 Cb -0.11 -1.31 0.07 0.00 0.51 0.00 0.00 43.02 42.17 2kct s PHE 56 CO 0.25 -0.52 0.96 0.41 0.70 0.00 0.00 175.22 177.02 2kct n GLY 57 N 4.74 0.55 3.41 4.36 0.00 -1.14 -3.69 105.19 113.42 2kct n GLY 57 Ca -0.15 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.10 2.52 -0.20 2.61 2.01 -0.59 -1.58 115.64 118.31 2kct s THR 58 Ca 0.22 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 2kct s THR 58 Cb -0.02 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2kct s THR 58 CO 0.03 0.36 1.00 -0.69 -0.69 0.00 0.00 174.62 174.63 2kct s VAL 59 N -0.87 4.73 0.48 3.82 1.01 -0.43 -0.85 120.40 128.29 2kct s VAL 59 Ca 0.13 1.97 -0.21 0.00 0.00 0.00 0.00 61.98 63.88 2kct s VAL 59 Cb -0.10 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 2kct s VAL 59 CO 0.04 -0.12 1.05 0.00 0.00 0.00 0.00 175.10 176.07 2kct s ALA 60 N 2.83 2.88 0.10 5.51 0.00 -0.79 -1.39 121.76 130.89 2kct s ALA 60 Ca 0.44 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2kct s ALA 60 Cb -0.16 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.45 2kct s ALA 60 CO 0.09 -0.34 1.20 0.00 0.00 0.00 0.00 175.76 176.72 2kct h ALA 61 N 1.62 0.21 -1.74 0.00 0.00 -1.90 -3.37 119.26 114.09 2kct h ALA 61 Ca -0.49 -0.89 -0.62 0.00 0.00 0.00 0.00 54.91 52.90 2kct h ALA 61 Cb 1.22 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2kct h ALA 61 CO 0.59 1.08 0.53 -0.51 0.00 0.00 0.00 179.25 180.95 2kct s ASP 62 N -6.97 6.24 0.00 0.00 1.11 -1.26 -3.33 116.67 112.46 2kct s ASP 62 Ca -0.02 -0.71 0.00 0.00 0.18 0.00 0.00 52.55 52.00 2kct s ASP 62 Cb 0.08 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.65 2kct s ASP 62 CO 0.86 -1.33 0.00 0.61 1.18 0.00 0.00 175.17 176.49 2kct n GLY 63 N 5.23 1.21 3.58 0.21 0.00 -1.26 -4.64 105.19 109.53 2kct n GLY 63 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 4.21 -0.11 0.99 0.20 -1.21 -2.89 118.68 119.86 2kct s LEU 64 Ca 0.00 0.13 -0.08 0.00 0.69 0.00 0.00 54.13 54.86 2kct s LEU 64 Cb 0.00 -2.48 0.03 0.00 -0.43 0.00 0.00 46.19 43.31 2kct s LEU 64 CO 0.00 -0.31 0.27 -0.89 -0.29 0.00 0.00 176.35 175.13 2kct s THR 65 N 2.18 -0.01 0.32 3.68 2.01 -0.34 -5.02 115.64 118.46 2kct s THR 65 Ca 0.16 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.96 2kct s THR 65 Cb -0.16 -0.40 -0.10 0.00 0.01 0.00 0.00 72.50 71.86 2kct s THR 65 CO 0.11 0.02 0.90 -0.04 -0.69 0.00 0.00 174.62 174.91 2kct s MET 66 N 0.47 4.45 0.70 4.92 -1.94 -1.26 -0.84 119.30 125.79 2kct s MET 66 Ca -0.03 1.19 -0.12 0.00 -1.71 0.00 0.00 55.69 55.02 2kct s MET 66 Cb -0.04 -2.71 0.01 0.00 2.01 0.00 0.00 34.83 34.10 2kct s MET 66 CO -0.02 0.25 1.07 -0.51 -0.01 0.00 0.00 175.02 175.80 2kct s LEU 67 N -2.24 3.19 0.21 -0.03 1.43 -0.79 -4.83 118.68 115.62 2kct s LEU 67 Ca 0.51 1.75 0.09 0.00 -1.03 0.00 0.00 54.13 55.45 2kct s LEU 67 Cb -0.16 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 2kct s LEU 67 CO 0.21 -1.59 -0.10 1.51 0.23 0.00 0.00 176.35 176.61 2kct s ASP 68 N -3.38 4.19 0.00 2.29 -4.77 -1.26 -4.68 116.67 109.06 2kct s ASP 68 Ca 0.61 -0.65 0.00 0.00 -3.30 0.00 0.00 52.55 49.21 2kct s ASP 68 Cb -0.16 -0.67 0.00 0.00 -1.09 0.00 0.00 42.92 41.00 2kct s ASP 68 CO 0.51 0.08 0.00 0.61 0.70 0.00 0.00 175.17 177.07 2kct n GLY 69 N -0.18 1.00 3.62 2.12 0.00 -1.26 -4.88 105.19 105.61 2kct n GLY 69 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.70 -2.05 0.53 4.61 0.00 -1.26 -5.17 121.76 115.72 2kct s ALA 70 Ca 0.00 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 2kct s ALA 70 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.83 2kct s ALA 70 CO 0.00 -0.25 1.18 -1.25 0.00 0.00 0.00 175.76 175.45 2kct s PRO 71 N -0.82 3.37 0.00 0.00 0.04 -1.26 -4.60 135.00 131.74 2kct s PRO 71 Ca 0.04 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2kct s PRO 71 Cb -0.02 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2kct s PRO 71 CO -0.05 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2kct n GLY 72 N 0.40 0.42 3.29 0.56 0.00 -0.90 -1.12 105.19 107.83 2kct n GLY 72 Ca 0.11 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.04 -0.05 -0.21 1.61 0.11 -0.14 -1.88 120.40 117.80 2kct s VAL 73 Ca 0.00 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 2kct s VAL 73 Cb 0.00 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2kct s VAL 73 CO 0.00 0.04 0.37 -0.60 -3.33 0.00 0.00 175.10 171.58 2kct s ARG 74 N 1.47 4.15 0.04 1.54 3.52 -0.02 -2.20 118.95 127.43 2kct s ARG 74 Ca -0.09 0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2kct s ARG 74 Cb -0.08 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2kct s ARG 74 CO -0.13 -0.05 0.01 -0.59 -0.81 0.00 0.00 175.30 173.73 2kct s PHE 75 N 1.36 0.35 -0.63 5.12 -0.71 -0.93 -1.20 117.98 121.33 2kct s PHE 75 Ca 0.17 -0.76 -0.21 0.00 -1.04 0.00 0.00 56.93 55.09 2kct s PHE 75 Cb -0.15 -0.26 0.08 0.00 -1.21 0.00 0.00 43.02 41.49 2kct s PHE 75 CO 0.08 -0.33 0.87 0.50 -1.34 0.00 0.00 175.22 174.99 2kct s ARG 76 N -2.93 3.09 -0.47 1.99 3.52 -1.14 -0.84 118.95 122.17 2kct s ARG 76 Ca -0.02 -0.99 -0.28 0.00 -0.13 0.00 0.00 55.73 54.31 2kct s ARG 76 Cb 0.01 -4.24 -0.00 0.00 -1.56 0.00 0.00 34.95 29.16 2kct s ARG 76 CO -0.06 -1.71 1.60 -1.17 -0.81 0.00 0.00 175.30 173.14 2kct s LEU 77 N 3.58 3.46 -0.66 -0.88 2.96 0.14 -1.88 118.68 125.40 2kct s LEU 77 Ca 0.19 0.71 -0.26 0.00 -0.22 0.00 0.00 54.13 54.55 2kct s LEU 77 Cb -0.19 -3.21 0.04 0.00 0.50 0.00 0.00 46.19 43.33 2kct s LEU 77 CO 0.09 -1.76 1.15 -1.61 -1.32 0.00 0.00 176.35 172.90 2kct s GLU 78 N 5.68 3.28 0.57 1.98 2.02 -0.03 -1.14 118.70 131.06 2kct s GLU 78 Ca 0.65 -0.24 -0.20 0.00 0.02 0.00 0.00 54.97 55.20 2kct s GLU 78 Cb -0.15 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 29.91 2kct s GLU 78 CO 0.29 -1.87 1.25 0.34 0.02 0.00 0.00 175.26 175.29 2kct s ASP 79 N 3.39 5.25 0.05 -0.19 2.15 -1.03 -1.55 116.67 124.75 2kct s ASP 79 Ca 0.34 2.51 0.15 0.00 0.43 0.00 0.00 52.55 55.97 2kct s ASP 79 Cb -0.10 -2.61 -0.15 0.00 -0.30 0.00 0.00 42.92 39.75 2kct s ASP 79 CO 0.17 -1.56 0.86 0.11 -0.17 0.00 0.00 175.17 174.58 2kct h LYS 80 N 1.14 0.00 -0.00 4.34 1.79 -1.91 -3.10 116.57 118.83 2kct h LYS 80 Ca -0.50 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.76 2kct h LYS 80 Cb 1.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 2kct h LYS 80 CO 0.56 0.42 -0.89 0.22 -1.08 0.00 0.00 179.45 178.68 2kct h ASP 81 N 0.00 0.37 -2.76 0.86 3.58 -1.93 -3.42 116.42 113.12 2kct h ASP 81 Ca -0.18 -0.30 -0.41 0.00 0.42 0.00 0.00 57.03 56.57 2kct h ASP 81 Cb 1.71 -0.11 -0.38 0.00 1.72 0.00 0.00 39.33 42.26 2kct h ASP 81 CO 0.06 1.09 -0.70 0.20 -2.88 0.00 0.00 179.24 177.02 2kct s ASN 82 N -6.99 2.07 0.48 2.28 0.01 -1.25 -5.01 114.94 106.53 2kct s ASN 82 Ca -0.04 -0.55 0.27 0.00 -0.71 0.00 0.00 52.86 51.83 2kct s ASN 82 Cb 0.10 0.03 1.04 0.00 0.41 0.00 0.00 41.25 42.83 2kct s ASN 82 CO 0.84 -0.35 1.87 0.00 -1.51 0.00 0.00 177.10 177.95 2kct h THR 83 N 6.37 0.34 0.00 1.60 1.03 -1.81 -2.46 112.91 117.98 2kct h THR 83 Ca -0.16 -0.91 0.00 0.00 -0.01 0.00 0.00 66.41 65.33 2kct h THR 83 Cb 1.13 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 2kct h THR 83 CO 0.31 0.13 0.00 -1.28 -0.01 0.00 0.00 175.52 174.67 2kct h SER 84 N 0.00 0.00 -3.68 0.00 0.87 -1.95 -3.38 113.55 105.41 2kct h SER 84 Ca -0.00 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.79 2kct h SER 84 Cb 0.68 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.38 2kct h SER 84 CO 0.02 0.00 -0.03 -0.54 -0.53 0.00 0.00 176.83 175.75 2kct s LYS 85 N -3.50 3.34 -0.47 2.24 1.02 -0.92 -5.01 119.74 116.44 2kct s LYS 85 Ca 0.03 -2.29 -0.11 0.00 0.02 0.00 0.00 55.97 53.62 2kct s LYS 85 Cb 0.09 -4.32 0.10 0.00 -0.52 0.00 0.00 37.83 33.19 2kct s LYS 85 CO 0.48 -1.28 0.35 0.95 -0.92 0.00 0.00 175.35 174.93 2kct s THR 86 N 0.48 4.49 0.04 2.17 -4.23 -1.26 -2.46 115.64 114.87 2kct s THR 86 Ca 0.14 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2kct s THR 86 Cb -0.16 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2kct s THR 86 CO -0.06 -0.69 0.21 -0.69 -0.54 0.00 0.00 174.62 172.86 2kct s VAL 87 N 1.45 5.39 0.28 2.29 1.01 -0.29 -4.86 120.40 125.67 2kct s VAL 87 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2kct s VAL 87 Cb -0.26 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 2kct s VAL 87 CO 0.02 0.21 0.81 0.26 0.00 0.00 0.00 175.10 176.40 2kct s TRP 88 N -1.44 3.62 -0.10 5.22 0.52 -1.26 0.29 118.94 125.78 2kct s TRP 88 Ca 0.32 1.52 -0.00 0.00 0.02 0.00 0.00 56.10 57.96 2kct s TRP 88 Cb -0.13 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.49 2kct s TRP 88 CO 0.24 0.25 -0.07 0.08 0.02 0.00 0.00 176.95 177.46 2kct s VAL 89 N -1.63 0.98 -0.86 4.03 1.01 -0.02 -1.07 120.40 122.85 2kct s VAL 89 Ca 0.47 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2kct s VAL 89 Cb -0.16 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.37 2kct s VAL 89 CO 0.21 0.36 0.97 -0.22 0.00 0.00 0.00 175.10 176.42 2kct s LEU 90 N 1.62 5.61 -0.35 3.92 2.96 0.62 -2.20 118.68 130.86 2kct s LEU 90 Ca 0.03 -2.16 -0.18 0.00 -0.22 0.00 0.00 54.13 51.60 2kct s LEU 90 Cb -0.13 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 2kct s LEU 90 CO -0.07 -0.92 0.48 -0.47 -1.32 0.00 0.00 176.35 174.05 2kct s TYR 91 N 1.92 3.19 -0.23 5.38 5.04 -0.94 -1.68 117.35 130.03 2kct s TYR 91 Ca 0.26 0.15 -0.07 0.00 -2.44 0.00 0.00 57.07 54.97 2kct s TYR 91 Cb -0.09 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.32 2kct s TYR 91 CO -0.07 -0.51 0.07 0.15 -1.34 0.00 0.00 175.55 173.84 2kct s LYS 92 N 2.32 3.74 0.00 4.97 1.02 -1.24 -0.97 119.74 129.58 2kct s LYS 92 Ca 0.17 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.72 2kct s LYS 92 Cb -0.16 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2kct s LYS 92 CO 0.13 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2kct n GLY 93 N 4.52 0.47 3.61 -3.33 0.00 -0.28 -4.83 105.19 105.36 2kct n GLY 93 Ca -0.16 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.00 3.18 -0.30 4.61 0.00 -1.26 -2.11 121.76 124.88 2kct s ALA 94 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 2kct s ALA 94 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 23.12 19.26 2kct s ALA 94 CO 0.00 -2.14 1.04 0.08 0.00 0.00 0.00 175.76 174.74 2kct s VAL 95 N 4.88 4.57 0.77 0.00 1.01 -1.26 -4.98 120.40 125.38 2kct s VAL 95 Ca 0.57 1.74 -0.11 0.00 0.00 0.00 0.00 61.98 64.18 2kct s VAL 95 Cb -0.14 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 31.93 2kct s VAL 95 CO 0.29 -0.40 1.08 -2.16 0.00 0.00 0.00 175.10 173.90 2kct s PRO 96 N 3.51 2.31 0.42 2.72 0.04 -1.26 -4.96 135.00 137.78 2kct s PRO 96 Ca 0.44 0.95 0.22 0.00 0.04 0.00 0.00 61.00 62.65 2kct s PRO 96 Cb -0.13 -1.92 0.86 0.00 0.04 0.00 0.00 34.50 33.36 2kct s PRO 96 CO 0.13 -1.54 1.81 -0.44 0.04 0.00 0.00 177.00 177.00 2kct h ASP 97 N -1.04 0.00 0.98 6.66 5.19 -1.99 -2.39 116.42 123.82 2kct h ASP 97 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 2kct h ASP 97 Cb 1.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2kct h ASP 97 CO 0.55 0.27 -0.10 0.71 -3.12 0.00 0.00 179.24 177.55 2kct h THR 98 N 0.00 0.25 -2.83 0.35 1.35 -1.93 -3.43 112.91 106.68 2kct h THR 98 Ca -0.00 -0.77 -0.55 0.00 -0.55 0.00 0.00 66.41 64.53 2kct h THR 98 Cb 0.77 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 2kct h THR 98 CO 0.04 0.09 0.93 0.12 -0.25 0.00 0.00 175.52 176.45 2kct s PHE 99 N -3.67 2.61 0.08 4.73 2.19 -0.90 -4.79 117.98 118.22 2kct s PHE 99 Ca 0.01 0.73 -0.07 0.00 0.33 0.00 0.00 56.93 57.92 2kct s PHE 99 Cb 0.09 -3.66 -0.01 0.00 -1.31 0.00 0.00 43.02 38.13 2kct s PHE 99 CO 0.59 -2.51 0.15 -1.59 1.83 0.00 0.00 175.22 173.69 2kct s LYS 100 N 3.32 0.80 -0.61 10.12 -2.85 -1.26 -4.92 119.74 124.33 2kct s LYS 100 Ca 0.63 -0.99 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 2kct s LYS 100 Cb -0.28 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 35.73 2kct s LYS 100 CO 0.22 -0.24 2.29 -2.14 0.10 0.00 0.00 175.35 175.59 2kct s PRO 101 N -3.82 2.08 0.00 1.78 0.02 -1.26 -2.01 135.00 131.79 2kct s PRO 101 Ca 0.05 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.00 2kct s PRO 101 Cb 0.05 -4.64 0.00 0.00 0.02 0.00 0.00 34.50 29.93 2kct s PRO 101 CO -0.11 -3.50 0.00 0.41 -0.33 0.00 0.00 177.00 173.47 2kct n GLY 102 N 6.22 0.89 3.76 0.52 0.00 -0.49 -4.78 105.19 111.32 2kct n GLY 102 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.83 3.65 0.18 1.61 0.11 -0.85 -4.71 120.40 118.56 2kct s VAL 103 Ca 0.00 1.54 -0.30 0.00 -2.93 0.00 0.00 61.98 60.29 2kct s VAL 103 Cb 0.00 -3.93 -0.08 0.00 -1.53 0.00 0.00 36.38 30.84 2kct s VAL 103 CO 0.00 0.27 1.09 -0.70 -3.33 0.00 0.00 175.10 172.43 2kct s GLU 104 N -1.72 4.61 0.07 1.54 2.56 -1.26 -1.31 118.70 123.19 2kct s GLU 104 Ca 0.48 1.70 -0.01 0.00 0.00 0.00 0.00 54.97 57.14 2kct s GLU 104 Cb -0.28 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.53 2kct s GLU 104 CO 0.36 0.11 -0.02 0.14 -0.56 0.00 0.00 175.26 175.29 2kct s VAL 105 N -0.34 0.27 -0.25 3.70 -7.23 -0.61 -0.86 120.40 115.08 2kct s VAL 105 Ca 0.48 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2kct s VAL 105 Cb -0.29 -1.63 0.07 0.00 0.56 0.00 0.00 36.38 35.09 2kct s VAL 105 CO 0.35 -0.90 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.59 2kct s ILE 106 N -3.90 1.42 0.05 -0.62 1.01 0.70 -2.87 121.20 116.99 2kct s ILE 106 Ca 0.10 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.53 2kct s ILE 106 Cb 0.08 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2kct s ILE 106 CO -0.07 -0.22 -0.07 0.27 0.00 0.00 0.00 174.94 174.84 2kct s ILE 107 N 1.42 3.57 -0.00 2.92 -4.36 -0.79 -0.69 121.20 123.27 2kct s ILE 107 Ca -0.02 -0.97 -0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2kct s ILE 107 Cb -0.19 -2.60 -0.00 0.00 1.25 0.00 0.00 42.46 40.92 2kct s ILE 107 CO -0.09 0.27 0.01 -0.70 0.24 0.00 0.00 174.94 174.68 2kct s GLU 108 N -1.77 0.12 0.00 0.37 2.12 -0.95 -0.85 118.70 117.74 2kct s GLU 108 Ca 0.19 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.37 2kct s GLU 108 Cb -0.11 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2kct s GLU 108 CO 0.11 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2kct n GLY 109 N 2.61 -0.38 3.62 -1.50 0.00 -0.31 -0.63 105.19 108.60 2kct n GLY 109 Ca -0.16 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.54 -0.15 -0.02 0.00 -0.77 -1.50 107.32 104.34 2kct s GLY 110 Ca 0.00 2.00 -0.05 0.00 0.00 0.00 0.00 44.72 46.68 2kct s GLY 110 CO 0.00 1.72 0.00 -2.27 0.00 0.00 0.00 173.10 172.55 2kct s LEU 111 N 0.35 3.50 0.02 0.66 2.96 -1.26 -2.17 118.68 122.73 2kct s LEU 111 Ca -0.00 -0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.65 2kct s LEU 111 Cb -0.05 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2kct s LEU 111 CO 0.01 0.21 0.76 0.00 -1.32 0.00 0.00 176.35 176.01 2kct s ALA 112 N 0.12 3.36 0.49 5.97 0.00 -1.26 -4.99 121.76 125.45 2kct s ALA 112 Ca 0.01 0.26 0.17 0.00 0.00 0.00 0.00 51.96 52.40 2kct s ALA 112 Cb -0.13 -3.00 1.19 0.00 0.00 0.00 0.00 23.12 21.18 2kct s ALA 112 CO 0.02 0.02 2.05 -1.35 0.00 0.00 0.00 175.76 176.51 2kct h PRO 113 N 5.92 0.17 -0.01 0.00 0.11 -1.99 -1.53 132.00 134.67 2kct h PRO 113 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kct h PRO 113 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kct h PRO 113 CO 0.72 0.11 -0.03 0.41 -0.21 0.00 0.00 178.00 179.00 2kct n GLY 114 N -1.55 -0.15 3.67 -0.55 0.00 -1.26 -4.93 105.19 100.42 2kct n GLY 114 Ca 0.04 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.06 2.30 -0.18 1.61 2.02 -0.58 -5.07 118.70 116.75 2kct s GLU 115 Ca 0.37 -1.50 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 2kct s GLU 115 Cb 0.21 -2.14 -0.22 0.00 0.10 0.00 0.00 34.13 32.08 2kct s GLU 115 CO 0.36 0.25 0.19 -0.25 0.02 0.00 0.00 175.26 175.83 2kct n ASP 116 N -0.99 2.02 -4.71 -0.19 9.92 -1.26 -4.77 116.55 116.57 2kct n ASP 116 Ca -0.05 0.24 -0.38 0.00 -0.53 0.00 0.00 54.79 54.07 2kct n ASP 116 Cb 0.60 -0.84 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 2kct n ASP 116 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kct s THR 117 N -2.49 5.15 -0.11 -3.53 -1.32 -1.26 -4.29 115.64 107.78 2kct s THR 117 Ca -0.27 1.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.96 2kct s THR 117 Cb 0.07 -3.86 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 2kct s THR 117 CO 0.67 0.29 1.10 0.12 -2.21 0.00 0.00 174.62 174.60 2kct s PHE 118 N 0.82 3.31 -0.64 9.09 5.36 -0.23 -4.63 117.98 131.06 2kct s PHE 118 Ca 0.28 1.39 -0.22 0.00 -0.96 0.00 0.00 56.93 57.41 2kct s PHE 118 Cb -0.16 -3.31 0.07 0.00 -0.34 0.00 0.00 43.02 39.28 2kct s PHE 118 CO 0.11 -0.79 0.92 0.15 -1.46 0.00 0.00 175.22 174.16 2kct s LYS 119 N 2.42 3.12 -0.56 10.12 1.02 -0.92 -0.28 119.74 134.66 2kct s LYS 119 Ca 0.51 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 2kct s LYS 119 Cb -0.20 -4.21 0.04 0.00 -0.52 0.00 0.00 37.83 32.94 2kct s LYS 119 CO 0.17 -1.73 1.02 0.00 -0.92 0.00 0.00 175.35 173.89 2kct s ALA 120 N 3.85 3.11 0.17 5.17 0.00 -0.68 -1.85 121.76 131.53 2kct s ALA 120 Ca 0.21 -1.13 0.25 0.00 0.00 0.00 0.00 51.96 51.29 2kct s ALA 120 Cb -0.17 -3.83 1.00 0.00 0.00 0.00 0.00 23.12 20.11 2kct s ALA 120 CO 0.11 -2.49 1.86 0.07 0.00 0.00 0.00 175.76 175.31 2kct h ARG 121 N 9.39 0.00 -4.42 0.00 0.11 -1.17 -3.28 114.38 115.01 2kct h ARG 121 Ca -0.26 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.59 2kct h ARG 121 Cb 1.07 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.95 2kct h ARG 121 CO 1.12 0.21 -0.71 0.95 0.10 0.00 0.00 179.97 181.64 2kct s THR 122 N -3.72 0.44 -0.01 0.08 -4.23 -0.84 -4.94 115.64 102.43 2kct s THR 122 Ca 0.00 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2kct s THR 122 Cb 0.11 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 73.16 2kct s THR 122 CO 0.63 -0.55 0.00 -0.22 -0.54 0.00 0.00 174.62 173.94 2kct s LEU 123 N -1.93 1.66 -0.24 4.79 0.20 -1.26 -2.24 118.68 119.65 2kct s LEU 123 Ca -0.06 -0.00 -0.03 0.00 0.69 0.00 0.00 54.13 54.73 2kct s LEU 123 Cb -0.06 -0.07 0.08 0.00 -0.43 0.00 0.00 46.19 45.72 2kct s LEU 123 CO -0.02 -0.04 0.09 -0.32 -0.29 0.00 0.00 176.35 175.77 2kct s MET 124 N 0.38 0.42 -0.05 1.98 -2.45 0.14 -5.00 119.30 114.73 2kct s MET 124 Ca -0.03 -0.54 -0.30 0.00 -1.25 0.00 0.00 55.69 53.57 2kct s MET 124 Cb -0.05 -1.75 -0.05 0.00 1.25 0.00 0.00 34.83 34.23 2kct s MET 124 CO -0.01 -0.84 1.45 0.95 1.05 0.00 0.00 175.02 177.62 2kct s THR 125 N 1.93 3.78 0.17 10.11 -4.23 -1.26 -0.22 115.64 125.92 2kct s THR 125 Ca 0.05 1.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 2kct s THR 125 Cb -0.17 -3.69 -0.14 0.00 1.34 0.00 0.00 72.50 69.84 2kct s THR 125 CO -0.21 -0.05 1.40 0.50 -0.54 0.00 0.00 174.62 175.72 2kct h LYS 126 N 8.37 0.10 -6.04 3.99 1.63 -1.32 -3.41 116.57 119.89 2kct h LYS 126 Ca -0.36 -0.11 -0.60 0.00 -0.85 0.00 0.00 60.65 58.73 2kct h LYS 126 Cb 1.16 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.72 2kct h LYS 126 CO 0.93 0.90 0.53 0.00 -3.45 0.00 0.00 179.45 178.36 2kct s PRO 128 N 3.53 3.36 0.25 0.00 0.04 -1.26 -4.93 135.00 135.98 2kct s PRO 128 Ca 0.36 -0.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 2kct s PRO 128 Cb -0.11 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.26 2kct s PRO 128 CO 0.22 -1.73 0.79 -0.51 0.04 0.00 0.00 177.00 175.81 2kct s LEU 129 N 4.75 4.34 0.00 -3.56 2.01 -1.26 -5.15 118.68 119.81 2kct s LEU 129 Ca 0.36 1.54 0.29 0.00 0.01 0.00 0.00 54.13 56.32 2kct s LEU 129 Cb -0.10 -3.70 1.20 0.00 0.01 0.00 0.00 46.19 43.60 2kct s LEU 129 CO 0.20 0.01 1.83 1.21 1.01 0.00 0.00 176.35 180.61