#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 1.91 -0.53 3.04 0.00 -1.26 -4.93 121.76 119.99 2kct s ALA 44 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 2kct s ALA 44 Cb 0.00 -4.55 0.14 0.00 0.00 0.00 0.00 23.12 18.70 2kct s ALA 44 CO 0.00 -4.55 0.37 0.99 0.00 0.00 0.00 175.76 172.57 2kct s THR 45 N 8.91 3.91 -1.24 0.00 2.01 -1.26 -5.04 115.64 122.93 2kct s THR 45 Ca 0.64 -2.29 -0.19 0.00 0.31 0.00 0.00 61.69 60.16 2kct s THR 45 Cb -0.05 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.94 2kct s THR 45 CO -0.02 -0.81 1.72 -2.16 -0.69 0.00 0.00 174.62 172.66 2kct s PRO 46 N 0.75 3.77 -0.85 4.92 0.04 -1.26 -4.94 135.00 137.43 2kct s PRO 46 Ca 0.11 -1.77 -0.25 0.00 0.04 0.00 0.00 61.00 59.13 2kct s PRO 46 Cb -0.22 -5.48 -0.01 0.00 0.04 0.00 0.00 34.50 28.83 2kct s PRO 46 CO -0.03 -2.44 1.71 -1.14 0.04 0.00 0.00 177.00 175.14 2kct s GLN 47 N 4.60 2.92 0.36 4.56 0.74 -1.26 -4.99 119.66 126.59 2kct s GLN 47 Ca 0.55 -0.30 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 2kct s GLN 47 Cb 0.03 -4.87 -0.10 0.00 1.10 0.00 0.00 33.01 29.17 2kct s GLN 47 CO 0.06 -2.77 0.87 0.34 -0.55 0.00 0.00 175.29 173.24 2kct s ASP 48 N 6.68 6.98 0.08 6.67 -1.08 -1.26 -5.01 116.67 129.73 2kct s ASP 48 Ca 0.58 1.58 0.00 0.00 -0.52 0.00 0.00 52.55 54.20 2kct s ASP 48 Cb -0.06 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2kct s ASP 48 CO 0.04 -0.23 0.00 0.29 0.52 0.00 0.00 175.17 175.79 2kct n LYS 49 N -0.23 0.00 -2.52 4.34 4.76 -1.26 -4.93 118.16 118.31 2kct n LYS 49 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 2kct n LYS 49 Cb 0.53 -0.30 0.01 0.00 -1.84 0.00 0.00 35.03 33.42 2kct n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kct n LEU 50 N -3.17 7.04 -3.07 -0.35 4.77 -1.26 -4.36 117.00 116.59 2kct n LEU 50 Ca 0.00 -5.02 -0.16 0.00 -0.03 0.00 0.00 56.01 50.80 2kct n LEU 50 Cb 0.00 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 39.76 2kct n LEU 50 CO 0.00 1.76 -0.13 1.41 -1.33 0.00 0.00 177.39 179.10 2kct n HIS 51 N 1.83 -0.23 -3.46 -1.77 8.25 -1.26 -5.13 115.22 113.46 2kct n HIS 51 Ca 0.42 -3.46 -0.37 0.00 -0.26 0.00 0.00 57.72 54.05 2kct n HIS 51 Cb 0.31 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 2kct n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2kct s THR 52 N -2.05 4.97 -0.13 1.59 2.01 -1.26 -4.95 115.64 115.82 2kct s THR 52 Ca 0.36 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 63.13 2kct s THR 52 Cb 0.35 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2kct s THR 52 CO -0.07 0.47 0.06 -0.69 -0.69 0.00 0.00 174.62 173.71 2kct s VAL 53 N -1.20 4.84 -0.05 3.82 1.01 -0.70 -4.97 120.40 123.15 2kct s VAL 53 Ca 0.28 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2kct s VAL 53 Cb -0.16 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 2kct s VAL 53 CO 0.16 0.57 -0.17 -0.60 0.00 0.00 0.00 175.10 175.05 2kct s ARG 54 N -0.54 1.91 -0.00 2.72 3.52 -1.26 -1.47 118.95 123.84 2kct s ARG 54 Ca 0.11 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2kct s ARG 54 Cb -0.12 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 2kct s ARG 54 CO 0.02 0.20 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.53 2kct s LEU 55 N 0.17 1.96 -0.01 -0.88 0.20 -0.51 -5.03 118.68 114.58 2kct s LEU 55 Ca -0.07 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2kct s LEU 55 Cb -0.13 -0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.52 2kct s LEU 55 CO 0.03 0.01 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.69 2kct s PHE 56 N 0.01 2.92 -0.01 5.38 0.40 -1.26 -1.41 117.98 124.02 2kct s PHE 56 Ca 0.00 -0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 2kct s PHE 56 Cb -0.01 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.92 2kct s PHE 56 CO -0.00 0.38 0.49 0.41 0.70 0.00 0.00 175.22 177.19 2kct n GLY 57 N 1.68 0.47 3.46 4.36 0.00 -1.00 -4.73 105.19 109.43 2kct n GLY 57 Ca -0.16 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 3.36 -0.02 2.61 2.01 -0.90 -1.20 115.64 119.41 2kct s THR 58 Ca 0.11 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2kct s THR 58 Cb -0.00 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 2kct s THR 58 CO -0.00 0.55 1.56 -0.69 -0.69 0.00 0.00 174.62 175.35 2kct s VAL 59 N -0.11 3.53 0.24 3.82 1.01 -0.36 -1.21 120.40 127.33 2kct s VAL 59 Ca -0.00 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 2kct s VAL 59 Cb -0.13 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2kct s VAL 59 CO 0.03 -0.04 0.68 0.00 0.00 0.00 0.00 175.10 175.78 2kct s ALA 60 N 3.24 3.42 -0.94 5.51 0.00 -0.95 -1.42 121.76 130.62 2kct s ALA 60 Ca 0.70 0.03 0.28 0.00 0.00 0.00 0.00 51.96 52.97 2kct s ALA 60 Cb -0.34 -2.72 1.00 0.00 0.00 0.00 0.00 23.12 21.06 2kct s ALA 60 CO 0.28 0.37 1.78 0.00 0.00 0.00 0.00 175.76 178.19 2kct n ALA 61 N 0.29 2.58 -2.34 0.00 0.00 -1.26 -4.47 120.51 115.30 2kct n ALA 61 Ca -0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2kct n ALA 61 Cb 0.52 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.28 6.69 0.00 0.00 1.01 -1.26 -2.89 116.67 116.93 2kct s ASP 62 Ca 0.13 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.85 2kct s ASP 62 Cb 0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.57 2kct s ASP 62 CO 0.58 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 175.55 2kct n GLY 63 N 4.18 0.37 3.61 0.21 0.00 -1.26 -3.90 105.19 108.39 2kct n GLY 63 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 3.63 -0.05 0.99 0.20 -1.14 -4.42 118.68 117.89 2kct s LEU 64 Ca 0.00 1.09 0.02 0.00 0.69 0.00 0.00 54.13 55.92 2kct s LEU 64 Cb 0.00 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.24 2kct s LEU 64 CO 0.00 -1.45 -0.08 0.42 -0.29 0.00 0.00 176.35 174.96 2kct s THR 65 N 5.66 0.78 0.08 3.68 -4.23 -0.16 -5.00 115.64 116.46 2kct s THR 65 Ca 0.67 -0.28 -0.25 0.00 -1.18 0.00 0.00 61.69 60.65 2kct s THR 65 Cb -0.18 -0.75 -0.06 0.00 1.34 0.00 0.00 72.50 72.85 2kct s THR 65 CO 0.32 0.27 0.75 -0.04 -0.54 0.00 0.00 174.62 175.38 2kct s MET 66 N 0.72 4.49 -0.23 3.99 1.00 -1.26 -0.82 119.30 127.19 2kct s MET 66 Ca -0.12 1.06 -0.28 0.00 0.00 0.00 0.00 55.69 56.35 2kct s MET 66 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 34.83 31.32 2kct s MET 66 CO 0.02 0.39 1.99 -0.51 0.00 0.00 0.00 175.02 176.91 2kct s LEU 67 N -0.44 3.61 -0.36 -0.03 1.43 -1.10 -4.89 118.68 116.90 2kct s LEU 67 Ca 0.37 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.92 2kct s LEU 67 Cb -0.21 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2kct s LEU 67 CO 0.23 -1.71 1.62 -0.62 0.23 0.00 0.00 176.35 176.10 2kct s ASP 68 N 6.74 6.11 -0.65 2.29 2.15 -1.26 -2.29 116.67 129.75 2kct s ASP 68 Ca 0.89 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2kct s ASP 68 Cb -0.29 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2kct s ASP 68 CO 0.35 -1.57 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 2kct n GLY 69 N 5.24 0.68 2.99 2.66 0.00 -1.26 -5.03 105.19 110.47 2kct n GLY 69 Ca 0.20 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.26 -0.44 -0.26 4.61 0.00 -0.97 -5.12 121.76 117.32 2kct s ALA 70 Ca 0.00 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 2kct s ALA 70 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2kct s ALA 70 CO 0.00 -0.32 2.15 -2.14 0.00 0.00 0.00 175.76 175.45 2kct s PRO 71 N 1.59 3.10 0.00 0.00 0.02 -1.26 -4.36 135.00 134.09 2kct s PRO 71 Ca -0.06 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.83 2kct s PRO 71 Cb -0.11 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.05 2kct s PRO 71 CO -0.08 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 174.87 2kct n GLY 72 N 5.72 0.30 3.13 0.52 0.00 -1.08 -0.82 105.19 112.95 2kct n GLY 72 Ca 0.29 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 0.07 -0.03 1.61 0.11 -0.39 -2.70 120.40 117.07 2kct s VAL 73 Ca 0.00 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 2kct s VAL 73 Cb 0.00 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2kct s VAL 73 CO 0.00 -0.32 -0.21 -0.60 -3.33 0.00 0.00 175.10 170.64 2kct s ARG 74 N -1.23 1.90 0.35 1.54 6.06 0.00 -1.61 118.95 125.96 2kct s ARG 74 Ca -0.13 -0.74 -0.17 0.00 -2.50 0.00 0.00 55.73 52.19 2kct s ARG 74 Cb -0.07 -1.72 0.04 0.00 0.06 0.00 0.00 34.95 33.26 2kct s ARG 74 CO 0.02 0.37 0.76 -0.59 -2.50 0.00 0.00 175.30 173.36 2kct s PHE 75 N -0.26 0.02 -0.10 5.12 -0.71 -1.11 -0.99 117.98 119.95 2kct s PHE 75 Ca 0.02 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.29 2kct s PHE 75 Cb -0.10 0.79 -0.02 0.00 -1.21 0.00 0.00 43.02 42.47 2kct s PHE 75 CO 0.01 -1.45 -0.09 -0.98 -1.34 0.00 0.00 175.22 171.37 2kct s ARG 76 N -2.88 3.07 -0.27 1.99 1.70 -1.25 -0.68 118.95 120.63 2kct s ARG 76 Ca 0.14 -0.60 -0.10 0.00 -0.47 0.00 0.00 55.73 54.69 2kct s ARG 76 Cb -0.05 -2.63 -0.05 0.00 -0.57 0.00 0.00 34.95 31.65 2kct s ARG 76 CO 0.10 0.45 0.17 -1.17 -1.08 0.00 0.00 175.30 173.77 2kct s LEU 77 N -0.24 3.96 -0.79 -1.89 2.96 -0.09 -2.25 118.68 120.32 2kct s LEU 77 Ca 0.03 -0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 2kct s LEU 77 Cb -0.13 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.51 2kct s LEU 77 CO 0.03 -0.03 1.30 -1.61 -1.32 0.00 0.00 176.35 174.72 2kct s GLU 78 N 1.63 3.27 0.09 1.98 2.02 -0.35 -2.12 118.70 125.22 2kct s GLU 78 Ca 0.07 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2kct s GLU 78 Cb -0.15 -4.42 -0.05 0.00 0.10 0.00 0.00 34.13 29.61 2kct s GLU 78 CO 0.09 -2.15 0.28 0.34 0.02 0.00 0.00 175.26 173.84 2kct s ASP 79 N 3.98 6.42 0.04 -0.19 2.15 -1.26 -2.12 116.67 125.70 2kct s ASP 79 Ca 0.37 0.41 0.19 0.00 0.43 0.00 0.00 52.55 53.94 2kct s ASP 79 Cb -0.07 -2.02 -0.15 0.00 -0.30 0.00 0.00 42.92 40.38 2kct s ASP 79 CO 0.10 0.12 0.73 2.29 -0.17 0.00 0.00 175.17 178.24 2kct n LYS 80 N 0.24 0.63 0.12 4.34 0.00 -1.26 -4.39 118.16 117.84 2kct n LYS 80 Ca -0.04 0.12 -0.21 0.00 -0.00 0.00 0.00 58.31 58.18 2kct n LYS 80 Cb 0.51 -1.74 -0.14 0.00 -0.00 0.00 0.00 35.03 33.67 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 0.70 -3.77 -5.58 3.58 -1.96 -3.45 116.42 105.94 2kct h ASP 81 Ca -0.15 -0.72 -0.49 0.00 0.42 0.00 0.00 57.03 56.09 2kct h ASP 81 Cb 1.47 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 2kct h ASP 81 CO 0.03 1.55 0.35 0.54 -2.88 0.00 0.00 179.24 178.83 2kct s ASN 82 N -7.39 7.58 -1.15 2.28 6.03 -1.26 -4.92 114.94 116.11 2kct s ASN 82 Ca -0.07 1.94 -0.23 0.00 -1.03 0.00 0.00 52.86 53.47 2kct s ASN 82 Cb 0.06 -2.61 -0.08 0.00 -3.03 0.00 0.00 41.25 35.59 2kct s ASN 82 CO 0.92 0.11 1.93 0.28 -2.03 0.00 0.00 177.10 178.31 2kct s THR 83 N -1.25 3.55 -0.83 0.54 -1.32 -1.26 -3.96 115.64 111.11 2kct s THR 83 Ca 0.43 -0.88 -0.02 0.00 -1.21 0.00 0.00 61.69 60.01 2kct s THR 83 Cb -0.25 -4.52 -0.02 0.00 -1.51 0.00 0.00 72.50 66.20 2kct s THR 83 CO 0.31 -1.01 0.76 -0.24 -2.21 0.00 0.00 174.62 172.22 2kct n SER 84 N 14.20 -7.21 -3.51 8.08 2.88 -1.26 -5.02 113.62 121.78 2kct n SER 84 Ca 0.44 -0.30 -0.15 0.00 -1.33 0.00 0.00 58.87 57.53 2kct n SER 84 Cb 0.47 -5.14 -0.05 0.00 -0.75 0.00 0.00 64.21 58.74 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 -3.49 1.10 -0.07 -1.46 2.20 -1.25 -5.17 119.74 111.60 2kct s LYS 85 Ca 0.16 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.77 2kct s LYS 85 Cb -0.02 0.51 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2kct s LYS 85 CO 0.72 -0.40 -0.24 0.95 -0.36 0.00 0.00 175.35 176.02 2kct s THR 86 N -2.16 2.01 -0.24 3.43 -4.23 -1.26 -4.01 115.64 109.17 2kct s THR 86 Ca -0.07 -1.03 -0.09 0.00 -1.18 0.00 0.00 61.69 59.32 2kct s THR 86 Cb -0.01 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 2kct s THR 86 CO 0.01 0.56 0.12 -0.69 -0.54 0.00 0.00 174.62 174.08 2kct s VAL 87 N -0.04 4.92 0.30 2.29 1.01 -0.90 -4.80 120.40 123.18 2kct s VAL 87 Ca -0.07 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2kct s VAL 87 Cb -0.15 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2kct s VAL 87 CO 0.05 0.34 1.29 0.26 0.00 0.00 0.00 175.10 177.04 2kct s TRP 88 N 1.28 3.14 -0.33 5.22 0.52 -1.26 -0.92 118.94 126.59 2kct s TRP 88 Ca 0.06 1.40 -0.05 0.00 0.02 0.00 0.00 56.10 57.53 2kct s TRP 88 Cb -0.14 -3.63 0.05 0.00 -1.15 0.00 0.00 33.47 28.59 2kct s TRP 88 CO 0.05 -1.75 0.09 0.08 0.02 0.00 0.00 176.95 175.44 2kct s VAL 89 N -0.91 3.57 -0.72 4.03 1.01 0.14 0.21 120.40 127.73 2kct s VAL 89 Ca 0.50 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2kct s VAL 89 Cb -0.38 -3.05 0.13 0.00 0.00 0.00 0.00 36.38 33.07 2kct s VAL 89 CO 0.49 -0.19 0.84 -0.22 0.00 0.00 0.00 175.10 176.02 2kct s LEU 90 N 1.35 5.48 -0.23 3.92 2.96 -0.46 -2.75 118.68 128.94 2kct s LEU 90 Ca -0.02 -1.78 -0.12 0.00 -0.22 0.00 0.00 54.13 51.99 2kct s LEU 90 Cb -0.20 -2.32 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2kct s LEU 90 CO 0.01 -1.03 0.24 -0.47 -1.32 0.00 0.00 176.35 173.79 2kct s TYR 91 N 2.34 3.32 -0.01 5.38 5.04 -0.63 -2.22 117.35 130.57 2kct s TYR 91 Ca 0.19 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 2kct s TYR 91 Cb -0.16 -2.37 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 2kct s TYR 91 CO -0.00 0.02 -0.07 0.15 -1.34 0.00 0.00 175.55 174.31 2kct s LYS 92 N 1.22 2.60 0.00 4.97 1.02 -1.25 -1.26 119.74 127.05 2kct s LYS 92 Ca 0.11 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2kct s LYS 92 Cb -0.14 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 2kct s LYS 92 CO 0.06 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 2kct n GLY 93 N 1.71 2.30 3.69 -3.33 0.00 -0.00 -4.86 105.19 104.70 2kct n GLY 93 Ca -0.16 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.94 3.74 -0.02 4.61 0.00 -1.26 -2.62 121.76 124.28 2kct s ALA 94 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 2kct s ALA 94 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2kct s ALA 94 CO 0.00 -1.21 1.01 0.08 0.00 0.00 0.00 175.76 175.64 2kct s VAL 95 N 2.77 4.75 0.35 0.00 1.01 -1.26 -4.98 120.40 123.04 2kct s VAL 95 Ca 0.80 1.98 -0.29 0.00 0.00 0.00 0.00 61.98 64.47 2kct s VAL 95 Cb -0.45 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.55 2kct s VAL 95 CO 0.36 0.12 1.51 -0.81 0.00 0.00 0.00 175.10 176.28 2kct n PRO 96 N 4.18 2.65 0.21 2.72 -0.04 -1.26 -4.93 135.00 138.52 2kct n PRO 96 Ca 0.07 0.93 0.06 0.00 -0.04 0.00 0.00 63.50 64.52 2kct n PRO 96 Cb 0.50 -2.67 0.45 0.00 -0.04 0.00 0.00 33.50 31.74 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 3.53 0.00 0.98 3.54 3.04 -1.99 -2.30 116.42 123.22 2kct h ASP 97 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2kct h ASP 97 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2kct h ASP 97 CO 0.69 0.30 0.00 0.00 -2.04 0.00 0.00 179.24 178.19 2kct h THR 98 N 0.00 0.00 -3.61 1.15 1.03 -1.93 -3.44 112.91 106.11 2kct h THR 98 Ca -0.00 -0.39 -0.52 0.00 -0.01 0.00 0.00 66.41 65.49 2kct h THR 98 Cb 0.64 1.25 0.04 0.00 -1.07 0.00 0.00 68.15 69.00 2kct h THR 98 CO 0.04 0.00 0.61 0.12 -0.01 0.00 0.00 175.52 176.28 2kct s PHE 99 N -3.39 3.26 -0.00 0.00 5.36 -0.87 -4.97 117.98 117.37 2kct s PHE 99 Ca 0.04 1.37 -0.28 0.00 -0.96 0.00 0.00 56.93 57.11 2kct s PHE 99 Cb 0.09 -3.56 0.09 0.00 -0.34 0.00 0.00 43.02 39.30 2kct s PHE 99 CO 0.48 -1.60 0.79 -1.59 -1.46 0.00 0.00 175.22 171.84 2kct s LYS 100 N -0.86 0.95 -0.16 10.12 -2.85 -1.26 -4.99 119.74 120.68 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 -0.36 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2kct s LYS 100 CO 0.43 -0.37 2.05 -2.14 0.10 0.00 0.00 175.35 175.42 2kct s PRO 101 N -2.49 3.47 0.00 1.78 0.02 -1.26 -2.65 135.00 133.87 2kct s PRO 101 Ca -0.01 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.09 2kct s PRO 101 Cb -0.01 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 30.25 2kct s PRO 101 CO -0.04 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 2kct n GLY 102 N 5.30 0.82 3.84 0.52 0.00 -0.51 -4.91 105.19 110.26 2kct n GLY 102 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 4.61 0.36 1.61 0.11 -1.09 -4.69 120.40 119.32 2kct s VAL 103 Ca 0.00 1.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.86 2kct s VAL 103 Cb 0.00 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.13 2kct s VAL 103 CO 0.00 -0.30 1.01 -1.61 -3.33 0.00 0.00 175.10 170.87 2kct s GLU 104 N -3.22 4.36 0.07 1.54 2.02 -1.26 -1.22 118.70 120.99 2kct s GLU 104 Ca 0.56 1.45 0.02 0.00 0.02 0.00 0.00 54.97 57.02 2kct s GLU 104 Cb -0.10 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2kct s GLU 104 CO 0.19 0.05 -0.07 0.14 0.02 0.00 0.00 175.26 175.59 2kct s VAL 105 N -1.63 0.59 -0.37 2.63 -7.23 -0.34 -1.20 120.40 112.85 2kct s VAL 105 Ca 0.54 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.14 2kct s VAL 105 Cb -0.21 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.66 2kct s VAL 105 CO 0.26 -0.63 0.18 -0.63 -0.31 0.00 0.00 175.10 173.97 2kct s ILE 106 N -2.50 4.08 -0.02 -0.62 1.01 0.34 -2.39 121.20 121.11 2kct s ILE 106 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2kct s ILE 106 Cb -0.02 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2kct s ILE 106 CO -0.02 -0.31 0.28 0.27 0.00 0.00 0.00 174.94 175.16 2kct s ILE 107 N 1.44 5.26 -0.10 2.92 -4.36 -0.50 -2.90 121.20 122.96 2kct s ILE 107 Ca 0.01 0.38 -0.09 0.00 -0.26 0.00 0.00 60.65 60.69 2kct s ILE 107 Cb -0.21 -3.57 0.03 0.00 1.25 0.00 0.00 42.46 39.96 2kct s ILE 107 CO 0.03 0.48 0.26 -0.70 0.24 0.00 0.00 174.94 175.25 2kct s GLU 108 N -1.41 0.30 0.00 0.37 2.12 -1.18 -1.43 118.70 117.47 2kct s GLU 108 Ca 0.24 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2kct s GLU 108 Cb -0.14 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.39 2kct s GLU 108 CO 0.12 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 2kct n GLY 109 N 2.99 -1.07 3.59 -1.50 0.00 -0.54 -0.18 105.19 108.49 2kct n GLY 109 Ca -0.13 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.38 -0.04 -0.02 0.00 -0.61 -1.73 107.32 104.54 2kct s GLY 110 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.53 2kct s GLY 110 CO 0.00 0.25 -0.05 -2.27 0.00 0.00 0.00 173.10 171.03 2kct s LEU 111 N -2.61 1.44 0.02 0.66 2.96 -1.26 -1.40 118.68 118.49 2kct s LEU 111 Ca 0.08 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2kct s LEU 111 Cb -0.01 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 2kct s LEU 111 CO -0.05 -0.03 0.12 0.00 -1.32 0.00 0.00 176.35 175.06 2kct s ALA 112 N 0.73 3.70 0.34 5.97 0.00 -1.26 -5.02 121.76 126.22 2kct s ALA 112 Ca -0.10 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.07 2kct s ALA 112 Cb -0.13 -1.64 0.80 0.00 0.00 0.00 0.00 23.12 22.16 2kct s ALA 112 CO 0.00 0.73 1.84 -1.35 0.00 0.00 0.00 175.76 176.99 2kct h PRO 113 N 3.74 0.69 -1.57 0.00 0.11 -2.02 -2.70 132.00 130.25 2kct h PRO 113 Ca -0.48 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.23 2kct h PRO 113 Cb 1.18 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 31.98 2kct h PRO 113 CO 0.66 0.46 0.42 0.41 -0.21 0.00 0.00 178.00 179.74 2kct n GLY 114 N -1.41 4.18 3.62 -0.55 0.00 -1.26 -4.81 105.19 104.96 2kct n GLY 114 Ca 0.19 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2kct n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kct s GLU 115 N -1.84 0.60 0.04 1.61 -1.05 -1.02 -5.06 118.70 111.99 2kct s GLU 115 Ca 0.36 0.57 0.10 0.00 -0.15 0.00 0.00 54.97 55.85 2kct s GLU 115 Cb 0.27 0.29 -0.22 0.00 -0.44 0.00 0.00 34.13 34.03 2kct s GLU 115 CO -0.03 -0.10 0.99 -0.44 0.95 0.00 0.00 175.26 176.62 2kct h ASP 116 N 4.00 0.00 -3.27 0.83 3.32 -1.87 -3.42 116.42 116.01 2kct h ASP 116 Ca -0.27 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.20 2kct h ASP 116 Cb 1.17 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2kct h ASP 116 CO 0.15 1.00 -0.07 0.28 -1.72 0.00 0.00 179.24 178.88 2kct s THR 117 N -2.66 5.00 -0.02 0.35 -1.32 -1.26 -4.09 115.64 111.65 2kct s THR 117 Ca -0.02 1.12 -0.30 0.00 -1.21 0.00 0.00 61.69 61.28 2kct s THR 117 Cb 0.09 -3.87 -0.04 0.00 -1.51 0.00 0.00 72.50 67.17 2kct s THR 117 CO 0.82 0.41 1.17 0.12 -2.21 0.00 0.00 174.62 174.94 2kct s PHE 118 N -0.09 3.32 -0.58 9.09 2.19 0.13 -4.73 117.98 127.32 2kct s PHE 118 Ca 0.29 1.29 -0.26 0.00 0.33 0.00 0.00 56.93 58.59 2kct s PHE 118 Cb -0.17 -3.39 0.04 0.00 -1.31 0.00 0.00 43.02 38.19 2kct s PHE 118 CO 0.15 -1.16 1.04 0.21 1.83 0.00 0.00 175.22 177.30 2kct s LYS 119 N 1.74 3.37 -0.41 10.12 2.47 -0.49 -1.36 119.74 135.18 2kct s LYS 119 Ca 0.56 -0.12 -0.26 0.00 -1.56 0.00 0.00 55.97 54.59 2kct s LYS 119 Cb -0.26 -4.05 0.02 0.00 -1.46 0.00 0.00 37.83 32.08 2kct s LYS 119 CO 0.25 -1.60 0.97 0.00 0.16 0.00 0.00 175.35 175.13 2kct s ALA 120 N 4.39 3.32 0.24 3.13 0.00 -0.94 -1.58 121.76 130.31 2kct s ALA 120 Ca 0.34 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 2kct s ALA 120 Cb -0.11 -3.64 0.28 0.00 0.00 0.00 0.00 23.12 19.65 2kct s ALA 120 CO 0.21 -1.85 1.64 0.07 0.00 0.00 0.00 175.76 175.82 2kct h ARG 121 N 8.77 0.57 -3.81 0.00 0.11 -0.89 -3.34 114.38 115.78 2kct h ARG 121 Ca -0.23 -0.25 -0.17 0.00 0.10 0.00 0.00 59.98 59.43 2kct h ARG 121 Cb 1.07 -0.01 -0.22 0.00 1.11 0.00 0.00 29.97 31.92 2kct h ARG 121 CO 1.03 0.82 -0.64 0.95 0.10 0.00 0.00 179.97 182.22 2kct s THR 122 N -4.38 0.09 -0.15 0.08 -4.23 -0.92 -4.90 115.64 101.22 2kct s THR 122 Ca -0.07 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2kct s THR 122 Cb 0.13 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.72 2kct s THR 122 CO 0.81 -0.41 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.18 2kct s LEU 123 N -1.25 1.64 0.04 4.79 2.96 -1.26 -3.08 118.68 122.51 2kct s LEU 123 Ca -0.14 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 2kct s LEU 123 Cb -0.08 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2kct s LEU 123 CO -0.00 -0.13 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.46 2kct s MET 124 N 1.57 0.83 0.47 1.98 -2.45 -1.14 -4.68 119.30 115.88 2kct s MET 124 Ca 0.03 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.73 2kct s MET 124 Cb -0.14 -0.80 -0.01 0.00 1.25 0.00 0.00 34.83 35.13 2kct s MET 124 CO -0.09 0.19 0.72 0.95 1.05 0.00 0.00 175.02 177.85 2kct s THR 125 N -0.88 4.19 -1.87 10.11 -4.23 -1.26 -0.50 115.64 121.20 2kct s THR 125 Ca -0.00 -0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.35 2kct s THR 125 Cb -0.08 -3.57 0.40 0.00 1.34 0.00 0.00 72.50 70.59 2kct s THR 125 CO 0.01 -0.46 1.32 0.29 -0.54 0.00 0.00 174.62 175.24 2kct n LYS 126 N -2.18 2.16 -4.65 3.99 5.02 -0.34 -4.62 118.16 117.54 2kct n LYS 126 Ca 0.01 -1.64 -0.31 0.00 -2.02 0.00 0.00 58.31 54.35 2kct n LYS 126 Cb 0.57 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.65 -1.66 -2.13 0.00 -0.04 -1.26 -4.98 135.00 126.58 2kct n PRO 128 Ca -0.16 -0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 2kct n PRO 128 Cb 0.52 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 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 4.31 0.00 1.53 1.43 -1.26 -4.96 118.68 119.73 2kct s LEU 129 Ca 0.29 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2kct s LEU 129 Cb -0.02 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2kct s LEU 129 CO 0.22 -0.81 0.38 -0.62 0.23 0.00 0.00 176.35 175.75