#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 -0.65 -3.75 -5.12 0.00 -1.26 -5.06 120.51 104.67 2kct n ALA 44 Ca 0.00 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 2kct n ALA 44 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 2kct n ALA 44 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kct s THR 45 N -2.17 3.56 -0.27 0.00 -1.32 -1.26 -5.08 115.64 109.10 2kct s THR 45 Ca 0.31 -3.13 -0.29 0.00 -1.21 0.00 0.00 61.69 57.36 2kct s THR 45 Cb -0.01 -3.33 -0.01 0.00 -1.51 0.00 0.00 72.50 67.64 2kct s THR 45 CO 0.22 -0.89 1.36 -2.84 -2.21 0.00 0.00 174.62 170.26 2kct s PRO 46 N -0.25 3.93 0.77 7.08 0.02 -1.26 -5.04 135.00 140.25 2kct s PRO 46 Ca 0.18 1.38 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 2kct s PRO 46 Cb -0.20 -3.90 0.18 0.00 0.02 0.00 0.00 34.50 30.60 2kct s PRO 46 CO -0.04 -1.11 0.91 0.00 -0.33 0.00 0.00 177.00 176.43 2kct n GLN 47 N 7.30 -1.48 -2.10 5.54 10.64 -1.26 -5.01 117.38 131.01 2kct n GLN 47 Ca 0.15 -1.42 -0.42 0.00 -1.83 0.00 0.00 57.00 53.49 2kct n GLN 47 Cb 0.46 -1.06 -0.03 0.00 -0.86 0.00 0.00 30.24 28.75 2kct n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2kct s ASP 48 N -4.23 6.75 0.00 2.61 1.01 -1.26 -4.91 116.67 116.64 2kct s ASP 48 Ca 0.54 2.32 0.24 0.00 0.71 0.00 0.00 52.55 56.35 2kct s ASP 48 Cb -0.03 -2.57 1.28 0.00 1.01 0.00 0.00 42.92 42.61 2kct s ASP 48 CO 0.39 -0.75 1.78 2.29 0.21 0.00 0.00 175.17 179.09 2kct n LYS 49 N 4.85 0.49 -1.38 8.23 2.85 -1.26 -3.97 118.16 127.97 2kct n LYS 49 Ca 0.13 0.04 -0.39 0.00 -1.05 0.00 0.00 58.31 57.04 2kct n LYS 49 Cb 0.42 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 2kct n LYS 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kct n LEU 50 N -1.18 8.69 -3.87 -5.58 4.77 -1.26 -4.83 117.00 113.74 2kct n LEU 50 Ca 0.14 -4.42 -0.11 0.00 -0.03 0.00 0.00 56.01 51.60 2kct n LEU 50 Cb 0.15 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.60 2kct n LEU 50 CO 0.16 2.06 -0.14 -1.00 -1.33 0.00 0.00 177.39 177.14 2kct s HIS 51 N 1.87 0.07 -0.23 -1.77 3.76 -1.25 -5.16 115.29 112.58 2kct s HIS 51 Ca 0.68 -0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 55.26 2kct s HIS 51 Cb 0.18 -0.06 -0.03 0.00 1.11 0.00 0.00 32.58 33.79 2kct s HIS 51 CO -0.06 -0.37 0.05 0.95 -0.85 0.00 0.00 174.74 174.46 2kct s THR 52 N -2.17 4.24 -0.30 1.30 -4.23 -1.26 -4.63 115.64 108.59 2kct s THR 52 Ca -0.08 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 2kct s THR 52 Cb -0.03 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2kct s THR 52 CO -0.02 0.37 0.22 -0.69 -0.54 0.00 0.00 174.62 173.96 2kct s VAL 53 N 1.39 5.29 -0.24 2.29 1.01 -0.69 -4.91 120.40 124.55 2kct s VAL 53 Ca 0.05 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2kct s VAL 53 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kct s VAL 53 CO 0.03 0.15 0.52 -0.60 0.00 0.00 0.00 175.10 175.20 2kct s ARG 54 N 1.77 4.12 -0.02 2.72 6.06 -1.26 -2.49 118.95 129.85 2kct s ARG 54 Ca 0.07 0.37 0.04 0.00 -2.50 0.00 0.00 55.73 53.71 2kct s ARG 54 Cb -0.16 -3.62 -0.01 0.00 0.06 0.00 0.00 34.95 31.22 2kct s ARG 54 CO 0.11 -0.28 -0.13 -1.17 -2.50 0.00 0.00 175.30 171.33 2kct s LEU 55 N 2.07 1.97 0.19 -0.88 0.20 -0.73 -5.03 118.68 116.47 2kct s LEU 55 Ca 0.23 -0.24 0.11 0.00 0.69 0.00 0.00 54.13 54.92 2kct s LEU 55 Cb -0.16 -0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.88 2kct s LEU 55 CO 0.09 0.14 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.70 2kct s PHE 56 N -0.19 2.27 -4.20 5.38 0.40 -1.26 -1.24 117.98 119.14 2kct s PHE 56 Ca 0.03 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2kct s PHE 56 Cb -0.06 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.35 2kct s PHE 56 CO -0.00 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2kct n GLY 57 N 0.24 -0.52 3.26 4.36 0.00 -1.07 -4.65 105.19 106.81 2kct n GLY 57 Ca -0.12 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.44 1.71 -0.24 2.61 2.01 -1.26 -1.85 115.64 115.18 2kct s THR 58 Ca 0.00 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.53 2kct s THR 58 Cb 0.00 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 2kct s THR 58 CO 0.00 0.20 0.77 -0.69 -0.69 0.00 0.00 174.62 174.21 2kct s VAL 59 N -0.83 4.89 0.61 3.82 1.01 -0.54 -1.58 120.40 127.78 2kct s VAL 59 Ca 0.08 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.36 2kct s VAL 59 Cb -0.09 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2kct s VAL 59 CO 0.02 -0.03 1.04 0.00 0.00 0.00 0.00 175.10 176.13 2kct s ALA 60 N 2.65 2.83 -0.56 5.51 0.00 -0.98 -2.37 121.76 128.83 2kct s ALA 60 Ca 0.33 0.22 0.24 0.00 0.00 0.00 0.00 51.96 52.75 2kct s ALA 60 Cb -0.15 -3.18 0.53 0.00 0.00 0.00 0.00 23.12 20.31 2kct s ALA 60 CO 0.08 -0.79 1.66 0.00 0.00 0.00 0.00 175.76 176.71 2kct h ALA 61 N 0.14 0.98 -2.45 0.00 0.00 -1.90 -3.41 119.26 112.62 2kct h ALA 61 Ca -0.46 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 2kct h ALA 61 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2kct h ALA 61 CO 0.58 0.00 0.34 0.34 0.00 0.00 0.00 179.25 180.51 2kct s ASP 62 N -5.48 7.15 0.00 0.00 2.15 -1.26 -4.06 116.67 115.18 2kct s ASP 62 Ca 0.08 1.40 0.00 0.00 0.43 0.00 0.00 52.55 54.46 2kct s ASP 62 Cb 0.08 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2kct s ASP 62 CO 0.64 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.97 2kct n GLY 63 N 3.12 0.46 3.57 2.66 0.00 -1.26 -4.35 105.19 109.39 2kct n GLY 63 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 3.38 -0.26 0.99 0.20 -1.26 -4.50 118.68 117.24 2kct s LEU 64 Ca 0.00 0.68 -0.01 0.00 0.69 0.00 0.00 54.13 55.49 2kct s LEU 64 Cb 0.00 -2.91 0.04 0.00 -0.43 0.00 0.00 46.19 42.88 2kct s LEU 64 CO 0.00 -2.10 -0.07 -0.89 -0.29 0.00 0.00 176.35 173.00 2kct s THR 65 N 8.15 2.73 0.02 3.68 2.01 -0.02 -5.01 115.64 127.19 2kct s THR 65 Ca 0.71 -1.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 2kct s THR 65 Cb -0.16 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 2kct s THR 65 CO 0.26 0.13 0.58 -0.04 -0.69 0.00 0.00 174.62 174.86 2kct s MET 66 N 1.27 4.28 0.10 4.92 -1.94 -1.26 -0.84 119.30 125.82 2kct s MET 66 Ca -0.02 0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 54.38 2kct s MET 66 Cb -0.18 -3.31 -0.08 0.00 2.01 0.00 0.00 34.83 33.28 2kct s MET 66 CO -0.04 0.46 1.45 -0.51 -0.01 0.00 0.00 175.02 176.36 2kct s LEU 67 N -0.48 4.36 -0.40 -0.03 1.43 -0.98 -4.95 118.68 117.63 2kct s LEU 67 Ca 0.30 2.35 -0.20 0.00 -1.03 0.00 0.00 54.13 55.54 2kct s LEU 67 Cb -0.19 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2kct s LEU 67 CO 0.18 -0.71 0.63 1.51 0.23 0.00 0.00 176.35 178.18 2kct s ASP 68 N 1.39 6.36 0.00 2.29 -4.77 -1.26 -3.79 116.67 116.89 2kct s ASP 68 Ca 0.66 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.80 2kct s ASP 68 Cb -0.37 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2kct s ASP 68 CO 0.30 -0.68 0.00 0.61 0.70 0.00 0.00 175.17 176.10 2kct n GLY 69 N 4.87 3.00 3.79 2.12 0.00 -1.26 -5.05 105.19 112.67 2kct n GLY 69 Ca -0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.89 3.61 -2.00 4.61 0.00 -1.25 -5.02 121.76 118.82 2kct s ALA 70 Ca 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.29 2kct s ALA 70 Cb 0.00 -1.70 0.60 0.00 0.00 0.00 0.00 23.12 22.02 2kct s ALA 70 CO 0.00 0.64 1.28 -2.30 0.00 0.00 0.00 175.76 175.38 2kct n PRO 71 N 1.73 0.86 -0.63 0.00 -0.02 -1.26 -4.35 135.00 131.33 2kct n PRO 71 Ca -0.17 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.29 2kct n PRO 71 Cb 0.54 -1.18 0.01 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.50 0.38 3.34 -1.23 0.00 -1.11 -1.89 105.19 105.18 2kct n GLY 72 Ca 0.08 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.22 0.05 -0.03 1.61 0.11 -0.77 -2.32 120.40 118.83 2kct s VAL 73 Ca 0.05 -0.39 0.07 0.00 -2.93 0.00 0.00 61.98 58.78 2kct s VAL 73 Cb -0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2kct s VAL 73 CO 0.03 -0.21 -0.23 -0.60 -3.33 0.00 0.00 175.10 170.75 2kct s ARG 74 N -2.41 2.05 0.30 1.54 3.52 -0.02 -0.77 118.95 123.16 2kct s ARG 74 Ca -0.06 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 2kct s ARG 74 Cb -0.01 -1.90 0.01 0.00 -1.56 0.00 0.00 34.95 31.49 2kct s ARG 74 CO -0.02 0.45 0.51 -0.59 -0.81 0.00 0.00 175.30 174.85 2kct s PHE 75 N -0.41 0.63 -0.29 5.12 -0.71 -0.99 -0.84 117.98 120.49 2kct s PHE 75 Ca 0.05 -0.98 -0.03 0.00 -1.04 0.00 0.00 56.93 54.93 2kct s PHE 75 Cb -0.10 0.15 0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2kct s PHE 75 CO 0.00 -1.12 0.01 -0.98 -1.34 0.00 0.00 175.22 171.79 2kct s ARG 76 N -3.40 2.64 0.11 1.99 1.70 -1.26 -0.84 118.95 119.89 2kct s ARG 76 Ca 0.25 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 54.08 2kct s ARG 76 Cb -0.01 -3.19 -0.06 0.00 -0.57 0.00 0.00 34.95 31.12 2kct s ARG 76 CO 0.14 -0.55 1.05 -1.17 -1.08 0.00 0.00 175.30 173.69 2kct s LEU 77 N 1.32 4.46 -0.16 -1.89 2.96 0.94 -2.33 118.68 123.98 2kct s LEU 77 Ca -0.02 1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 55.54 2kct s LEU 77 Cb -0.19 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 2kct s LEU 77 CO -0.01 -0.21 0.82 -1.61 -1.32 0.00 0.00 176.35 174.03 2kct s GLU 78 N 0.18 4.31 -0.40 1.98 2.02 -0.61 -0.90 118.70 125.28 2kct s GLU 78 Ca 0.50 1.01 -0.27 0.00 0.02 0.00 0.00 54.97 56.23 2kct s GLU 78 Cb -0.26 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2kct s GLU 78 CO 0.31 -0.29 2.04 -0.51 0.02 0.00 0.00 175.26 176.82 2kct s ASP 79 N 1.13 5.34 0.33 -0.19 1.11 -1.12 -4.11 116.67 119.16 2kct s ASP 79 Ca 0.38 1.17 0.17 0.00 0.18 0.00 0.00 52.55 54.46 2kct s ASP 79 Cb -0.17 -2.52 0.26 0.00 1.07 0.00 0.00 42.92 41.56 2kct s ASP 79 CO 0.13 -2.17 1.54 0.11 1.18 0.00 0.00 175.17 175.96 2kct h LYS 80 N 15.27 0.00 -0.23 8.23 1.57 -1.90 -2.88 116.57 136.63 2kct h LYS 80 Ca -0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2kct h LYS 80 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2kct h LYS 80 CO 1.08 0.40 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.90 2kct h ASP 81 N 0.00 0.32 -1.30 0.86 3.32 -1.91 -3.40 116.42 114.31 2kct h ASP 81 Ca -0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2kct h ASP 81 Cb 1.22 -0.08 -0.24 0.00 0.22 0.00 0.00 39.33 40.45 2kct h ASP 81 CO 0.05 0.40 -0.47 0.54 -1.72 0.00 0.00 179.24 178.04 2kct s ASN 82 N -6.83 -0.76 -1.43 6.45 6.03 -1.22 -5.08 114.94 112.11 2kct s ASN 82 Ca -0.06 -0.35 -0.14 0.00 -1.03 0.00 0.00 52.86 51.28 2kct s ASN 82 Cb 0.16 1.61 0.06 0.00 -3.03 0.00 0.00 41.25 40.05 2kct s ASN 82 CO 0.74 -0.29 2.16 0.41 -2.03 0.00 0.00 177.10 178.09 2kct n THR 83 N 5.08 3.59 -1.36 0.54 -1.04 -1.09 -3.25 114.28 116.76 2kct n THR 83 Ca 0.06 -3.24 0.00 0.00 -2.04 0.00 0.00 64.05 58.83 2kct n THR 83 Cb 0.52 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 2kct n THR 83 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kct n SER 84 N 5.87 0.00 -3.88 8.00 7.64 -1.26 -5.12 113.62 124.87 2kct n SER 84 Ca 0.50 -1.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.30 2kct n SER 84 Cb 0.39 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.51 2kct n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kct s LYS 85 N 0.00 0.81 -0.00 1.43 1.02 -1.20 -5.14 119.74 116.66 2kct s LYS 85 Ca 0.00 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.02 2kct s LYS 85 Cb 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2kct s LYS 85 CO 0.00 -0.25 -0.03 0.95 -0.92 0.00 0.00 175.35 175.11 2kct s THR 86 N -3.84 0.23 -0.17 2.17 -4.23 -1.26 -2.81 115.64 105.72 2kct s THR 86 Ca 0.05 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.36 2kct s THR 86 Cb 0.05 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 2kct s THR 86 CO -0.11 0.07 0.13 -0.69 -0.54 0.00 0.00 174.62 173.49 2kct s VAL 87 N 0.02 5.44 0.08 2.29 1.01 -0.08 -4.93 120.40 124.23 2kct s VAL 87 Ca 0.00 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2kct s VAL 87 Cb -0.02 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 2kct s VAL 87 CO -0.00 0.50 0.83 0.26 0.00 0.00 0.00 175.10 176.69 2kct s TRP 88 N -0.09 3.77 -0.20 5.22 0.52 -1.26 -0.04 118.94 126.86 2kct s TRP 88 Ca 0.10 1.60 0.01 0.00 0.02 0.00 0.00 56.10 57.83 2kct s TRP 88 Cb -0.11 -2.90 0.04 0.00 -1.15 0.00 0.00 33.47 29.35 2kct s TRP 88 CO 0.00 0.27 -0.14 0.08 0.02 0.00 0.00 176.95 177.18 2kct s VAL 89 N -0.12 1.87 -0.78 4.03 1.01 -0.02 -0.69 120.40 125.70 2kct s VAL 89 Ca 0.41 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2kct s VAL 89 Cb -0.22 -1.83 0.14 0.00 0.00 0.00 0.00 36.38 34.47 2kct s VAL 89 CO 0.25 0.29 0.89 -0.22 0.00 0.00 0.00 175.10 176.32 2kct s LEU 90 N 1.32 5.53 -0.46 3.92 2.96 0.07 -2.34 118.68 129.68 2kct s LEU 90 Ca 0.00 -1.93 -0.25 0.00 -0.22 0.00 0.00 54.13 51.73 2kct s LEU 90 Cb -0.15 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2kct s LEU 90 CO -0.10 -0.99 0.91 -0.47 -1.32 0.00 0.00 176.35 174.39 2kct s TYR 91 N 2.18 2.93 -0.43 5.38 5.04 0.05 -1.57 117.35 130.93 2kct s TYR 91 Ca 0.21 0.36 -0.19 0.00 -2.44 0.00 0.00 57.07 55.02 2kct s TYR 91 Cb -0.13 -3.95 0.02 0.00 0.35 0.00 0.00 41.96 38.25 2kct s TYR 91 CO -0.03 -1.09 0.53 0.15 -1.34 0.00 0.00 175.55 173.76 2kct s LYS 92 N 3.72 3.17 0.00 4.97 1.02 -0.72 -1.84 119.74 130.06 2kct s LYS 92 Ca 0.36 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2kct s LYS 92 Cb -0.10 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 2kct s LYS 92 CO 0.26 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 2kct n GLY 93 N 5.08 -1.03 3.59 -3.33 0.00 -1.26 -4.59 105.19 103.65 2kct n GLY 93 Ca -0.05 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 3.49 -0.26 4.61 0.00 -1.26 -2.74 121.76 124.59 2kct s ALA 94 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2kct s ALA 94 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.92 2kct s ALA 94 CO 0.00 -1.26 1.05 0.08 0.00 0.00 0.00 175.76 175.63 2kct s VAL 95 N 2.81 4.62 0.75 0.00 1.01 -0.80 -4.94 120.40 123.86 2kct s VAL 95 Ca 0.28 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 64.05 2kct s VAL 95 Cb -0.14 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.94 2kct s VAL 95 CO 0.14 -0.29 1.08 -2.16 0.00 0.00 0.00 175.10 173.87 2kct s PRO 96 N 3.35 2.45 0.56 2.72 0.04 -1.26 -4.96 135.00 137.90 2kct s PRO 96 Ca 0.44 0.82 0.33 0.00 0.04 0.00 0.00 61.00 62.63 2kct s PRO 96 Cb -0.14 -1.95 1.63 0.00 0.04 0.00 0.00 34.50 34.09 2kct s PRO 96 CO 0.09 -1.41 2.11 -0.44 0.04 0.00 0.00 177.00 177.40 2kct h ASP 97 N -0.94 0.00 0.73 6.66 5.19 -1.98 -2.53 116.42 123.55 2kct h ASP 97 Ca -0.45 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 2kct h ASP 97 Cb 1.24 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.75 2kct h ASP 97 CO 0.57 0.07 -0.03 0.71 -3.12 0.00 0.00 179.24 177.44 2kct h THR 98 N 0.00 0.12 -3.62 0.35 1.35 -1.93 -3.43 112.91 105.74 2kct h THR 98 Ca -0.00 -0.47 -0.51 0.00 -0.55 0.00 0.00 66.41 64.88 2kct h THR 98 Cb 0.32 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2kct h THR 98 CO 0.01 0.03 0.36 0.12 -0.25 0.00 0.00 175.52 175.80 2kct s PHE 99 N -3.82 3.86 0.10 4.73 5.36 -0.96 -4.72 117.98 122.53 2kct s PHE 99 Ca -0.01 1.83 -0.25 0.00 -0.96 0.00 0.00 56.93 57.54 2kct s PHE 99 Cb 0.10 -3.04 0.08 0.00 -0.34 0.00 0.00 43.02 39.82 2kct s PHE 99 CO 0.53 0.25 0.78 -1.59 -1.46 0.00 0.00 175.22 173.73 2kct s LYS 100 N -0.39 1.13 -0.50 10.12 -2.85 -1.26 -4.98 119.74 121.02 2kct s LYS 100 Ca 0.45 -0.48 -0.27 0.00 -1.00 0.00 0.00 55.97 54.67 2kct s LYS 100 Cb -0.24 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 2kct s LYS 100 CO 0.31 -0.50 2.15 -1.25 0.10 0.00 0.00 175.35 176.15 2kct s PRO 101 N -3.44 2.46 0.00 1.78 0.04 -1.26 -3.40 135.00 131.17 2kct s PRO 101 Ca 0.05 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2kct s PRO 101 Cb -0.02 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2kct s PRO 101 CO -0.07 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.49 2kct n GLY 102 N 5.83 0.79 2.83 0.56 0.00 -1.00 -4.86 105.19 109.34 2kct n GLY 102 Ca 0.29 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.58 0.19 0.16 1.61 0.11 -1.22 -5.01 120.40 114.66 2kct s VAL 103 Ca 0.00 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 2kct s VAL 103 Cb 0.00 -0.27 -0.08 0.00 -1.53 0.00 0.00 36.38 34.50 2kct s VAL 103 CO 0.00 0.14 1.32 -1.61 -3.33 0.00 0.00 175.10 171.62 2kct s GLU 104 N 0.94 4.37 0.06 1.54 0.41 -1.26 -1.46 118.70 123.29 2kct s GLU 104 Ca -0.10 2.04 -0.00 0.00 -0.41 0.00 0.00 54.97 56.50 2kct s GLU 104 Cb -0.13 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 2kct s GLU 104 CO -0.02 -0.31 -0.04 0.14 -0.49 0.00 0.00 175.26 174.55 2kct s VAL 105 N 0.50 0.32 -0.25 2.63 -7.23 -0.77 -0.43 120.40 115.18 2kct s VAL 105 Ca 0.59 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2kct s VAL 105 Cb -0.36 -1.48 0.07 0.00 0.56 0.00 0.00 36.38 35.17 2kct s VAL 105 CO 0.35 -0.94 0.04 -0.63 -0.31 0.00 0.00 175.10 173.60 2kct s ILE 106 N -3.70 0.91 0.26 -0.62 1.01 0.10 -2.59 121.20 116.57 2kct s ILE 106 Ca 0.07 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2kct s ILE 106 Cb 0.06 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2kct s ILE 106 CO -0.08 -0.35 0.36 0.27 0.00 0.00 0.00 174.94 175.14 2kct s ILE 107 N 1.65 4.88 -0.15 2.92 -4.36 -0.37 -1.60 121.20 124.17 2kct s ILE 107 Ca 0.02 -1.05 -0.15 0.00 -0.26 0.00 0.00 60.65 59.21 2kct s ILE 107 Cb -0.18 -3.70 0.04 0.00 1.25 0.00 0.00 42.46 39.88 2kct s ILE 107 CO -0.13 -0.29 0.43 -0.70 0.24 0.00 0.00 174.94 174.48 2kct s GLU 108 N -4.00 0.51 0.00 0.37 2.12 -0.76 -1.77 118.70 115.17 2kct s GLU 108 Ca 0.36 0.56 0.00 0.00 0.36 0.00 0.00 54.97 56.25 2kct s GLU 108 Cb -0.09 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.55 2kct s GLU 108 CO 0.29 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 2kct n GLY 109 N 2.77 -0.96 3.78 -1.50 0.00 -1.04 -0.30 105.19 107.94 2kct n GLY 109 Ca -0.14 0.63 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.17 -0.08 -0.02 0.00 -0.68 -1.70 107.32 104.68 2kct s GLY 110 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.76 2kct s GLY 110 CO 0.00 0.25 -0.11 -2.27 0.00 0.00 0.00 173.10 170.96 2kct s LEU 111 N -3.00 1.56 0.17 0.66 2.96 -1.26 -1.66 118.68 118.11 2kct s LEU 111 Ca 0.13 -0.31 -0.27 0.00 -0.22 0.00 0.00 54.13 53.47 2kct s LEU 111 Cb -0.02 -0.84 -0.08 0.00 0.50 0.00 0.00 46.19 45.75 2kct s LEU 111 CO 0.03 0.00 0.83 0.00 -1.32 0.00 0.00 176.35 175.90 2kct s ALA 112 N 0.89 3.40 -0.24 5.97 0.00 -1.26 -5.00 121.76 125.52 2kct s ALA 112 Ca -0.10 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 2kct s ALA 112 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2kct s ALA 112 CO 0.01 0.22 1.88 -1.25 0.00 0.00 0.00 175.76 176.62 2kct s PRO 113 N -0.96 3.47 0.00 0.00 0.04 -1.26 -1.51 135.00 134.78 2kct s PRO 113 Ca 0.38 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2kct s PRO 113 Cb -0.24 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2kct s PRO 113 CO 0.28 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.03 2kct n GLY 114 N 5.24 2.51 3.84 0.56 0.00 -1.26 -5.10 105.19 110.99 2kct n GLY 114 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.32 4.03 -0.12 1.61 2.56 -0.57 -5.01 118.70 120.87 2kct s GLU 115 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 54.97 55.57 2kct s GLU 115 Cb 0.00 -2.97 -0.24 0.00 2.00 0.00 0.00 34.13 32.92 2kct s GLU 115 CO 0.00 0.50 0.38 -0.40 -0.56 0.00 0.00 175.26 175.17 2kct n ASP 116 N 0.93 1.34 -4.69 -1.70 5.75 -1.26 -4.70 116.55 112.22 2kct n ASP 116 Ca -0.06 0.22 -0.42 0.00 -0.01 0.00 0.00 54.79 54.53 2kct n ASP 116 Cb 0.52 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 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 -2.56 4.87 -0.14 2.12 -1.32 -1.26 -4.55 115.64 112.80 2kct s THR 117 Ca -0.15 1.83 -0.29 0.00 -1.21 0.00 0.00 61.69 61.86 2kct s THR 117 Cb 0.07 -4.22 -0.01 0.00 -1.51 0.00 0.00 72.50 66.83 2kct s THR 117 CO 0.78 0.07 1.13 0.12 -2.21 0.00 0.00 174.62 174.52 2kct s PHE 118 N 1.71 3.21 -0.55 9.09 2.19 0.13 -4.67 117.98 129.09 2kct s PHE 118 Ca 0.44 1.31 -0.21 0.00 0.33 0.00 0.00 56.93 58.81 2kct s PHE 118 Cb -0.18 -3.35 0.06 0.00 -1.31 0.00 0.00 43.02 38.24 2kct s PHE 118 CO 0.18 -0.96 0.76 -1.59 1.83 0.00 0.00 175.22 175.45 2kct s LYS 119 N 2.76 3.16 -0.25 10.12 -2.85 -0.67 -0.75 119.74 131.26 2kct s LYS 119 Ca 0.51 -0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 54.42 2kct s LYS 119 Cb -0.20 -4.13 -0.00 0.00 -2.06 0.00 0.00 37.83 31.43 2kct s LYS 119 CO 0.15 -1.43 0.86 0.00 0.10 0.00 0.00 175.35 175.03 2kct s ALA 120 N 3.16 3.64 0.12 0.59 0.00 -0.61 -1.68 121.76 126.98 2kct s ALA 120 Ca 0.19 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 2kct s ALA 120 Cb -0.18 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2kct s ALA 120 CO 0.12 -0.99 1.49 -0.09 0.00 0.00 0.00 175.76 176.29 2kct h ARG 121 N 7.72 0.75 -4.57 0.00 9.65 -0.91 -1.91 114.38 125.12 2kct h ARG 121 Ca -0.23 -0.33 -0.35 0.00 -1.10 0.00 0.00 59.98 57.97 2kct h ARG 121 Cb 1.09 -0.02 -0.27 0.00 -1.39 0.00 0.00 29.97 29.38 2kct h ARG 121 CO 0.89 0.95 -0.76 0.99 2.80 0.00 0.00 179.97 184.83 2kct s THR 122 N -4.61 0.59 -0.21 0.20 2.01 -0.38 -4.63 115.64 108.60 2kct s THR 122 Ca -0.12 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2kct s THR 122 Cb 0.10 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 72.14 2kct s THR 122 CO 0.82 0.07 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.54 2kct s LEU 123 N -0.42 2.31 -0.30 4.42 2.96 -1.26 -1.83 118.68 124.56 2kct s LEU 123 Ca 0.01 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 52.94 2kct s LEU 123 Cb -0.04 -1.15 0.08 0.00 0.50 0.00 0.00 46.19 45.57 2kct s LEU 123 CO -0.00 -0.20 -0.02 -0.32 -1.32 0.00 0.00 176.35 174.50 2kct s MET 124 N 1.44 2.01 0.05 1.98 -2.45 -0.63 -4.94 119.30 116.76 2kct s MET 124 Ca -0.03 -1.54 -0.31 0.00 -1.25 0.00 0.00 55.69 52.56 2kct s MET 124 Cb -0.17 -3.10 -0.06 0.00 1.25 0.00 0.00 34.83 32.75 2kct s MET 124 CO -0.07 -0.74 1.34 0.95 1.05 0.00 0.00 175.02 177.55 2kct s THR 125 N 1.07 3.68 0.11 10.11 -4.23 -1.26 -0.72 115.64 124.39 2kct s THR 125 Ca -0.01 1.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.67 2kct s THR 125 Cb -0.20 -3.74 -0.23 0.00 1.34 0.00 0.00 72.50 69.67 2kct s THR 125 CO -0.05 0.05 1.24 0.50 -0.54 0.00 0.00 174.62 175.82 2kct h LYS 126 N 7.20 0.15 -3.56 3.99 3.64 -1.03 -3.38 116.57 123.57 2kct h LYS 126 Ca -0.40 -0.23 -0.72 0.00 -1.27 0.00 0.00 60.65 58.03 2kct h LYS 126 Cb 1.20 0.08 -0.33 0.00 -0.41 0.00 0.00 32.23 32.77 2kct h LYS 126 CO 0.87 1.08 -0.19 0.00 -2.27 0.00 0.00 179.45 178.94 2kct n PRO 128 N 3.30 0.00 -3.63 0.00 -0.02 -1.26 -4.59 135.00 128.80 2kct n PRO 128 Ca 0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 2kct n PRO 128 Cb 0.39 -0.68 -0.16 0.00 -0.02 0.00 0.00 33.50 33.03 2kct n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kct s LEU 129 N -0.76 0.68 0.00 2.45 1.43 -1.26 -4.53 118.68 116.69 2kct s LEU 129 Ca 0.00 -0.84 0.10 0.00 -1.03 0.00 0.00 54.13 52.35 2kct s LEU 129 Cb 0.00 -0.38 0.57 0.00 0.03 0.00 0.00 46.19 46.41 2kct s LEU 129 CO 0.00 -0.36 1.02 -0.62 0.23 0.00 0.00 176.35 176.62