#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 2.83 -0.73 3.17 0.00 -1.26 -4.97 121.76 120.80 2kct s ALA 44 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 2kct s ALA 44 Cb 0.00 -4.05 0.18 0.00 0.00 0.00 0.00 23.12 19.25 2kct s ALA 44 CO 0.00 -2.79 0.56 -0.08 0.00 0.00 0.00 175.76 173.45 2kct s THR 45 N 6.38 3.71 0.40 0.00 -1.32 -1.26 -5.10 115.64 118.44 2kct s THR 45 Ca 0.63 -3.58 -0.08 0.00 -1.21 0.00 0.00 61.69 57.45 2kct s THR 45 Cb -0.15 -3.38 -0.06 0.00 -1.51 0.00 0.00 72.50 67.41 2kct s THR 45 CO 0.29 -0.97 0.73 -2.16 -2.21 0.00 0.00 174.62 170.30 2kct s PRO 46 N -0.83 3.70 -0.29 7.08 0.04 -1.26 -5.07 135.00 138.37 2kct s PRO 46 Ca 0.22 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 2kct s PRO 46 Cb -0.13 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 2kct s PRO 46 CO -0.09 -0.02 0.57 -0.65 0.04 0.00 0.00 177.00 176.85 2kct s GLN 47 N -3.97 3.93 0.00 4.56 -0.21 -1.26 -4.95 119.66 117.76 2kct s GLN 47 Ca 0.49 0.25 0.15 0.00 0.02 0.00 0.00 55.36 56.27 2kct s GLN 47 Cb -0.10 -3.71 0.78 0.00 1.00 0.00 0.00 33.01 30.97 2kct s GLN 47 CO 0.34 -0.50 1.36 -0.25 -2.12 0.00 0.00 175.29 174.12 2kct n ASP 48 N 5.73 0.00 -0.28 5.90 8.00 -1.26 -2.67 116.55 131.97 2kct n ASP 48 Ca -0.03 -0.09 -0.01 0.00 0.71 0.00 0.00 54.79 55.36 2kct n ASP 48 Cb 0.49 -0.19 0.11 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.00 0.91 -5.11 -1.24 1.57 -2.06 -3.38 116.57 107.27 2kct h LYS 49 Ca 0.00 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 2kct h LYS 49 Cb 0.09 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 2kct h LYS 49 CO 0.00 0.60 2.41 1.28 -0.57 0.00 0.00 179.45 183.18 2kct n LEU 50 N -4.63 5.34 -3.19 2.94 4.77 -1.09 -4.66 117.00 116.49 2kct n LEU 50 Ca 0.10 -3.85 -0.21 0.00 -0.03 0.00 0.00 56.01 52.02 2kct n LEU 50 Cb 0.12 -1.67 -0.05 0.00 -2.33 0.00 0.00 43.42 39.49 2kct n LEU 50 CO 0.32 0.24 -0.24 1.41 -1.33 0.00 0.00 177.39 177.79 2kct n HIS 51 N 8.16 0.17 -4.34 -1.77 8.25 -1.26 -5.08 115.22 119.34 2kct n HIS 51 Ca 0.50 -3.72 -0.19 0.00 -0.26 0.00 0.00 57.72 54.05 2kct n HIS 51 Cb 0.43 -0.39 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.93 0.70 -0.15 1.59 2.01 -1.26 -4.97 115.64 111.62 2kct s THR 52 Ca 0.38 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 2kct s THR 52 Cb 0.26 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 2kct s THR 52 CO -0.09 0.21 0.07 -0.69 -0.69 0.00 0.00 174.62 173.43 2kct s VAL 53 N 0.07 4.89 -0.17 3.82 1.01 -0.65 -4.90 120.40 124.47 2kct s VAL 53 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2kct s VAL 53 Cb -0.07 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2kct s VAL 53 CO 0.00 0.52 -0.17 -0.60 0.00 0.00 0.00 175.10 174.86 2kct s ARG 54 N -0.20 2.62 0.29 2.72 3.52 -1.26 -1.39 118.95 125.26 2kct s ARG 54 Ca 0.08 -0.71 0.11 0.00 -0.13 0.00 0.00 55.73 55.08 2kct s ARG 54 Cb -0.12 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 2kct s ARG 54 CO 0.01 -0.23 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.63 2kct s LEU 55 N 1.38 2.75 -0.01 -0.88 1.43 -0.60 -5.01 118.68 117.74 2kct s LEU 55 Ca 0.05 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2kct s LEU 55 Cb -0.13 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2kct s LEU 55 CO -0.12 -0.03 -0.05 -0.36 0.23 0.00 0.00 176.35 176.02 2kct s PHE 56 N -2.49 0.55 -0.87 0.29 0.40 -1.26 -1.94 117.98 112.66 2kct s PHE 56 Ca 0.31 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 2kct s PHE 56 Cb -0.04 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.08 2kct s PHE 56 CO 0.16 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.44 2kct n GLY 57 N 3.27 -0.75 3.25 4.36 0.00 -1.06 -3.74 105.19 110.53 2kct n GLY 57 Ca -0.17 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.00 1.81 0.06 2.61 2.01 -0.51 -1.22 115.64 117.40 2kct s THR 58 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 2kct s THR 58 Cb 0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2kct s THR 58 CO 0.00 0.51 1.14 -0.69 -0.69 0.00 0.00 174.62 174.89 2kct s VAL 59 N -0.46 4.21 0.24 3.82 1.01 -0.28 -1.30 120.40 127.63 2kct s VAL 59 Ca 0.07 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 2kct s VAL 59 Cb -0.10 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 2kct s VAL 59 CO -0.00 0.14 0.97 0.00 0.00 0.00 0.00 175.10 176.21 2kct s ALA 60 N 0.93 3.35 0.10 5.51 0.00 -0.42 -1.81 121.76 129.42 2kct s ALA 60 Ca 0.56 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 53.06 2kct s ALA 60 Cb -0.28 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 2kct s ALA 60 CO 0.29 0.14 1.32 0.00 0.00 0.00 0.00 175.76 177.51 2kct h ALA 61 N 4.15 0.33 -1.93 0.00 0.00 -1.89 -3.40 119.26 116.51 2kct h ALA 61 Ca -0.45 -0.57 -0.57 0.00 0.00 0.00 0.00 54.91 53.32 2kct h ALA 61 Cb 1.20 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2kct h ALA 61 CO 0.68 0.65 0.87 -0.51 0.00 0.00 0.00 179.25 180.94 2kct s ASP 62 N -7.02 6.86 0.00 0.00 1.11 -1.26 -3.48 116.67 112.88 2kct s ASP 62 Ca -0.11 1.01 0.00 0.00 0.18 0.00 0.00 52.55 53.63 2kct s ASP 62 Cb 0.09 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.53 2kct s ASP 62 CO 0.89 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.90 2kct n GLY 63 N 4.05 0.84 3.14 0.21 0.00 -1.26 -4.66 105.19 107.49 2kct n GLY 63 Ca 0.12 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.63 5.35 -0.27 0.99 0.20 -1.23 -3.11 118.68 119.98 2kct s LEU 64 Ca 0.00 -2.06 -0.05 0.00 0.69 0.00 0.00 54.13 52.71 2kct s LEU 64 Cb 0.00 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 2kct s LEU 64 CO 0.00 -0.56 0.03 -0.89 -0.29 0.00 0.00 176.35 174.64 2kct s THR 65 N 1.11 3.73 -0.05 3.68 2.01 0.29 -4.97 115.64 121.44 2kct s THR 65 Ca 0.08 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 2kct s THR 65 Cb -0.23 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2kct s THR 65 CO -0.04 0.20 0.57 -0.04 -0.69 0.00 0.00 174.62 174.63 2kct s MET 66 N 1.49 4.33 0.11 4.92 1.00 -1.26 -0.21 119.30 129.68 2kct s MET 66 Ca 0.03 0.66 -0.31 0.00 0.00 0.00 0.00 55.69 56.08 2kct s MET 66 Cb -0.16 -3.39 -0.09 0.00 0.00 0.00 0.00 34.83 31.19 2kct s MET 66 CO 0.00 0.25 1.68 -0.51 0.00 0.00 0.00 175.02 176.45 2kct s LEU 67 N 0.23 4.37 -0.02 -0.03 1.43 -0.78 -4.95 118.68 118.93 2kct s LEU 67 Ca 0.31 2.60 -0.23 0.00 -1.03 0.00 0.00 54.13 55.77 2kct s LEU 67 Cb -0.17 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2kct s LEU 67 CO 0.15 -0.91 0.69 -1.81 0.23 0.00 0.00 176.35 174.71 2kct s ASP 68 N 2.13 7.04 -1.11 2.29 1.01 -1.26 -3.90 116.67 122.86 2kct s ASP 68 Ca 0.75 1.25 0.00 0.00 0.71 0.00 0.00 52.55 55.25 2kct s ASP 68 Cb -0.43 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2kct s ASP 68 CO 0.33 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.28 2kct n GLY 69 N 2.78 1.14 3.49 0.21 0.00 -1.26 -4.97 105.19 106.58 2kct n GLY 69 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.24 -1.47 -0.25 4.61 0.00 -1.25 -5.13 121.76 116.02 2kct s ALA 70 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 2kct s ALA 70 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2kct s ALA 70 CO 0.00 -0.29 1.74 -1.25 0.00 0.00 0.00 175.76 175.97 2kct s PRO 71 N 0.50 3.58 0.00 0.00 0.04 -1.26 -4.51 135.00 133.34 2kct s PRO 71 Ca -0.01 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2kct s PRO 71 Cb -0.04 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2kct s PRO 71 CO -0.02 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.87 2kct n GLY 72 N 5.04 0.17 3.23 0.56 0.00 -0.97 -0.61 105.19 112.62 2kct n GLY 72 Ca 0.21 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 0.13 -0.01 1.61 0.11 -0.54 -1.87 120.40 117.82 2kct s VAL 73 Ca 0.00 -1.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.81 2kct s VAL 73 Cb 0.00 -1.47 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2kct s VAL 73 CO 0.00 -0.57 -0.02 -0.60 -3.33 0.00 0.00 175.10 170.58 2kct s ARG 74 N -3.89 0.28 0.14 1.54 3.52 0.71 -1.35 118.95 119.89 2kct s ARG 74 Ca 0.08 -0.04 -0.15 0.00 -0.13 0.00 0.00 55.73 55.49 2kct s ARG 74 Cb 0.05 -0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2kct s ARG 74 CO -0.08 -0.01 0.39 -0.59 -0.81 0.00 0.00 175.30 174.20 2kct s PHE 75 N 0.35 -0.08 -0.50 5.12 -0.71 -0.89 -0.55 117.98 120.73 2kct s PHE 75 Ca -0.03 -0.26 -0.18 0.00 -1.04 0.00 0.00 56.93 55.42 2kct s PHE 75 Cb -0.06 0.22 0.07 0.00 -1.21 0.00 0.00 43.02 42.03 2kct s PHE 75 CO -0.01 -0.73 0.54 0.50 -1.34 0.00 0.00 175.22 174.18 2kct s ARG 76 N -3.84 3.06 0.12 1.99 3.52 -1.18 -0.79 118.95 121.83 2kct s ARG 76 Ca 0.06 -1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 54.25 2kct s ARG 76 Cb 0.02 -4.12 -0.07 0.00 -1.56 0.00 0.00 34.95 29.21 2kct s ARG 76 CO -0.08 -1.16 1.20 -1.17 -0.81 0.00 0.00 175.30 173.27 2kct s LEU 77 N 2.23 4.41 -0.32 -0.88 2.96 0.13 -1.31 118.68 125.90 2kct s LEU 77 Ca 0.10 2.12 0.02 0.00 -0.22 0.00 0.00 54.13 56.15 2kct s LEU 77 Cb -0.22 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 42.98 2kct s LEU 77 CO 0.09 -0.42 0.06 -1.61 -1.32 0.00 0.00 176.35 173.16 2kct s GLU 78 N 0.46 1.18 0.36 1.98 2.02 -0.42 -1.23 118.70 123.05 2kct s GLU 78 Ca 0.56 -1.49 -0.27 0.00 0.02 0.00 0.00 54.97 53.79 2kct s GLU 78 Cb -0.31 -2.67 -0.12 0.00 0.10 0.00 0.00 34.13 31.13 2kct s GLU 78 CO 0.32 -0.94 1.16 -0.25 0.02 0.00 0.00 175.26 175.58 2kct n ASP 79 N 4.52 2.08 -0.29 -0.19 9.92 -1.21 -1.42 116.55 129.96 2kct n ASP 79 Ca 0.00 1.15 0.07 0.00 -0.53 0.00 0.00 54.79 55.48 2kct n ASP 79 Cb 0.42 -1.42 0.22 0.00 -0.64 0.00 0.00 41.12 39.70 2kct n ASP 79 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kct h LYS 80 N 2.12 0.60 0.00 -1.24 3.64 -1.84 -1.74 116.57 118.11 2kct h LYS 80 Ca -0.45 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 2kct h LYS 80 Cb 1.31 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2kct h LYS 80 CO 0.60 0.40 -1.12 -0.25 -2.27 0.00 0.00 179.45 176.82 2kct n ASP 81 N -4.87 1.87 -3.83 4.20 9.92 -1.26 -4.69 116.55 117.88 2kct n ASP 81 Ca 0.16 0.48 -0.42 0.00 -0.53 0.00 0.00 54.79 54.48 2kct n ASP 81 Cb 0.42 -0.87 0.01 0.00 -0.64 0.00 0.00 41.12 40.03 2kct n ASP 81 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2kct n ASN 82 N -4.48 6.30 0.14 -2.24 5.15 -1.13 -4.69 115.26 114.31 2kct n ASN 82 Ca -0.23 -3.31 0.13 0.00 -0.60 0.00 0.00 54.58 50.57 2kct n ASN 82 Cb 0.53 -1.34 0.47 0.00 -0.53 0.00 0.00 39.78 38.90 2kct n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kct h THR 83 N 3.26 0.00 0.00 -0.44 1.03 -1.59 -2.84 112.91 112.33 2kct h THR 83 Ca 0.38 -0.35 -0.01 0.00 -0.01 0.00 0.00 66.41 66.42 2kct h THR 83 Cb 0.54 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2kct h THR 83 CO 1.44 0.00 -0.07 0.28 -0.01 0.00 0.00 175.52 177.16 2kct h SER 84 N 0.00 0.00 -3.29 0.00 0.02 -1.87 -3.34 113.55 105.07 2kct h SER 84 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 2kct h SER 84 Cb 0.51 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.81 2kct h SER 84 CO 0.00 0.07 -0.02 -0.75 -1.14 0.00 0.00 176.83 174.99 2kct s LYS 85 N -4.11 3.23 -0.53 3.45 2.20 -1.08 -5.03 119.74 117.87 2kct s LYS 85 Ca -0.03 -1.92 -0.20 0.00 -0.36 0.00 0.00 55.97 53.46 2kct s LYS 85 Cb 0.12 -4.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.14 2kct s LYS 85 CO 0.54 -1.36 0.70 0.95 -0.36 0.00 0.00 175.35 175.82 2kct s THR 86 N 1.30 4.77 -0.11 3.43 -4.23 -1.26 -4.08 115.64 115.45 2kct s THR 86 Ca 0.11 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 2kct s THR 86 Cb -0.21 -4.38 -0.04 0.00 1.34 0.00 0.00 72.50 69.21 2kct s THR 86 CO -0.01 -0.93 0.11 -0.69 -0.54 0.00 0.00 174.62 172.56 2kct s VAL 87 N 2.91 5.22 -0.00 2.29 1.01 -0.37 -4.96 120.40 126.51 2kct s VAL 87 Ca 0.17 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 2kct s VAL 87 Cb -0.19 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2kct s VAL 87 CO 0.12 0.62 0.72 0.26 0.00 0.00 0.00 175.10 176.81 2kct s TRP 88 N -0.98 3.67 -0.15 5.22 0.52 -1.26 0.22 118.94 126.18 2kct s TRP 88 Ca 0.15 1.35 0.01 0.00 0.02 0.00 0.00 56.10 57.62 2kct s TRP 88 Cb -0.12 -2.78 0.02 0.00 -1.15 0.00 0.00 33.47 29.44 2kct s TRP 88 CO 0.04 0.22 -0.15 0.08 0.02 0.00 0.00 176.95 177.16 2kct s VAL 89 N 0.21 1.64 -0.35 4.03 1.01 0.03 -0.70 120.40 126.27 2kct s VAL 89 Ca 0.37 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2kct s VAL 89 Cb -0.19 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2kct s VAL 89 CO 0.20 0.47 0.20 -0.22 0.00 0.00 0.00 175.10 175.75 2kct s LEU 90 N 1.38 4.54 -0.23 3.92 2.96 -0.35 -2.10 118.68 128.81 2kct s LEU 90 Ca 0.03 -0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 2kct s LEU 90 Cb -0.13 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 2kct s LEU 90 CO -0.10 -0.32 0.03 -0.47 -1.32 0.00 0.00 176.35 174.17 2kct s TYR 91 N 1.59 3.05 -0.29 5.38 5.04 -0.46 -1.29 117.35 130.37 2kct s TYR 91 Ca 0.03 -0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 54.04 2kct s TYR 91 Cb -0.18 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.94 2kct s TYR 91 CO 0.07 -0.35 0.15 0.15 -1.34 0.00 0.00 175.55 174.22 2kct s LYS 92 N 1.38 3.57 0.00 4.97 1.02 -1.24 -1.47 119.74 127.96 2kct s LYS 92 Ca 0.05 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2kct s LYS 92 Cb -0.15 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2kct s LYS 92 CO 0.02 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2kct n GLY 93 N 4.99 1.48 3.63 -3.33 0.00 0.22 -4.91 105.19 107.27 2kct n GLY 93 Ca -0.14 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.46 3.25 -0.06 4.61 0.00 -1.26 -2.28 121.76 124.57 2kct s ALA 94 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2kct s ALA 94 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 2kct s ALA 94 CO 0.00 -2.01 0.99 0.08 0.00 0.00 0.00 175.76 174.82 2kct s VAL 95 N 5.69 4.82 0.24 0.00 1.01 -1.26 -4.98 120.40 125.92 2kct s VAL 95 Ca 0.84 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 64.58 2kct s VAL 95 Cb -0.33 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.58 2kct s VAL 95 CO 0.35 0.08 0.92 -2.65 0.00 0.00 0.00 175.10 173.79 2kct n PRO 96 N 4.51 0.98 0.25 2.72 -0.02 -1.26 -4.90 135.00 137.28 2kct n PRO 96 Ca 0.07 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2kct n PRO 96 Cb 0.50 -1.65 0.61 0.00 -0.02 0.00 0.00 33.50 32.94 2kct n PRO 96 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kct h ASP 97 N 2.01 0.00 1.02 2.55 5.19 -2.03 -2.03 116.42 123.13 2kct h ASP 97 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2kct h ASP 97 Cb 1.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2kct h ASP 97 CO 0.61 0.17 0.00 1.07 -3.12 0.00 0.00 179.24 177.97 2kct n THR 98 N -3.49 0.62 -2.38 0.35 5.66 -1.26 -4.80 114.28 108.99 2kct n THR 98 Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 2kct n THR 98 Cb 0.33 -0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 68.26 2kct n THR 98 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2kct s PHE 99 N -3.14 3.43 0.18 1.09 2.19 -0.77 -4.73 117.98 116.25 2kct s PHE 99 Ca 0.09 1.46 -0.19 0.00 0.33 0.00 0.00 56.93 58.62 2kct s PHE 99 Cb 0.12 -3.42 0.04 0.00 -1.31 0.00 0.00 43.02 38.45 2kct s PHE 99 CO 0.47 -1.15 0.54 -1.59 1.83 0.00 0.00 175.22 175.32 2kct s LYS 100 N -0.44 1.35 -0.22 10.12 -2.85 -1.26 -4.99 119.74 121.44 2kct s LYS 100 Ca 0.52 -0.77 -0.29 0.00 -1.00 0.00 0.00 55.97 54.43 2kct s LYS 100 Cb -0.33 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2kct s LYS 100 CO 0.38 -0.57 1.97 -2.14 0.10 0.00 0.00 175.35 175.08 2kct s PRO 101 N -3.84 3.41 0.00 1.78 0.02 -1.26 -2.89 135.00 132.21 2kct s PRO 101 Ca 0.07 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2kct s PRO 101 Cb -0.01 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.27 2kct s PRO 101 CO -0.06 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.25 2kct n GLY 102 N 5.35 0.69 3.81 0.52 0.00 -0.75 -4.83 105.19 109.98 2kct n GLY 102 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 4.12 0.08 1.61 0.11 -1.14 -4.69 120.40 118.49 2kct s VAL 103 Ca 0.00 1.36 -0.27 0.00 -2.93 0.00 0.00 61.98 60.13 2kct s VAL 103 Cb 0.00 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 31.23 2kct s VAL 103 CO 0.00 -0.25 0.86 -1.61 -3.33 0.00 0.00 175.10 170.77 2kct s GLU 104 N -3.11 4.60 0.19 1.54 2.02 -1.26 -1.13 118.70 121.54 2kct s GLU 104 Ca 0.63 1.26 0.05 0.00 0.02 0.00 0.00 54.97 56.93 2kct s GLU 104 Cb -0.13 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.69 2kct s GLU 104 CO 0.17 0.26 -0.08 0.14 0.02 0.00 0.00 175.26 175.76 2kct s VAL 105 N -0.07 1.30 -0.25 2.63 -7.23 -0.35 -0.76 120.40 115.66 2kct s VAL 105 Ca 0.42 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 2kct s VAL 105 Cb -0.22 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.71 2kct s VAL 105 CO 0.26 -0.58 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.74 2kct s ILE 106 N -3.25 2.29 -0.08 -0.62 1.01 -0.09 -2.55 121.20 117.92 2kct s ILE 106 Ca 0.22 -1.48 -0.05 0.00 0.00 0.00 0.00 60.65 59.34 2kct s ILE 106 Cb 0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2kct s ILE 106 CO 0.05 0.05 0.15 0.27 0.00 0.00 0.00 174.94 175.46 2kct s ILE 107 N 1.16 5.42 -0.03 2.92 -4.36 -0.82 -2.60 121.20 122.89 2kct s ILE 107 Ca -0.06 0.06 -0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2kct s ILE 107 Cb -0.19 -3.42 0.03 0.00 1.25 0.00 0.00 42.46 40.13 2kct s ILE 107 CO -0.06 0.52 0.04 -0.70 0.24 0.00 0.00 174.94 174.98 2kct s GLU 108 N -1.33 0.02 0.00 0.37 2.56 -0.99 -1.56 118.70 117.77 2kct s GLU 108 Ca 0.19 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.42 2kct s GLU 108 Cb -0.12 -0.43 0.00 0.00 2.00 0.00 0.00 34.13 35.58 2kct s GLU 108 CO 0.09 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 2kct n GLY 109 N 4.73 -1.12 0.00 -1.50 0.00 -0.49 -1.06 105.19 105.75 2kct n GLY 109 Ca -0.16 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.36 3.59 -0.02 0.00 -0.65 -1.63 105.19 107.84 2kct n GLY 110 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 4.19 -0.09 0.99 2.96 -1.26 -1.21 118.68 124.26 2kct s LEU 111 Ca 0.00 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 53.94 2kct s LEU 111 Cb 0.00 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2kct s LEU 111 CO 0.00 -0.52 0.89 0.00 -1.32 0.00 0.00 176.35 175.40 2kct s ALA 112 N 2.63 3.36 -0.64 5.97 0.00 -1.26 -4.98 121.76 126.85 2kct s ALA 112 Ca 0.25 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 2kct s ALA 112 Cb -0.15 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2kct s ALA 112 CO 0.13 -0.43 2.38 -2.14 0.00 0.00 0.00 175.76 175.71 2kct s PRO 113 N 1.56 1.89 0.00 0.00 0.02 -1.26 -1.24 135.00 135.98 2kct s PRO 113 Ca 0.44 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.39 2kct s PRO 113 Cb -0.18 -4.68 0.00 0.00 0.02 0.00 0.00 34.50 29.66 2kct s PRO 113 CO 0.19 -3.81 0.00 0.41 -0.33 0.00 0.00 177.00 173.46 2kct n GLY 114 N 6.38 4.51 3.76 0.52 0.00 -1.26 -5.11 105.19 113.99 2kct n GLY 114 Ca 0.41 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 4.32 0.29 1.61 2.02 -0.37 -4.98 118.70 121.59 2kct s GLU 115 Ca 0.00 0.75 0.15 0.00 0.02 0.00 0.00 54.97 55.89 2kct s GLU 115 Cb 0.00 -3.34 0.31 0.00 0.10 0.00 0.00 34.13 31.21 2kct s GLU 115 CO 0.00 0.38 1.56 -0.44 0.02 0.00 0.00 175.26 176.78 2kct h ASP 116 N 5.56 0.00 -3.45 -0.19 3.32 -1.96 -3.40 116.42 116.30 2kct h ASP 116 Ca -0.45 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.06 2kct h ASP 116 Cb 1.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 2kct h ASP 116 CO 0.69 0.54 0.17 0.28 -1.72 0.00 0.00 179.24 179.20 2kct s THR 117 N -3.27 4.63 -0.21 0.35 -1.32 -1.26 -4.42 115.64 110.14 2kct s THR 117 Ca 0.01 1.66 -0.29 0.00 -1.21 0.00 0.00 61.69 61.86 2kct s THR 117 Cb 0.10 -4.13 -0.00 0.00 -1.51 0.00 0.00 72.50 66.96 2kct s THR 117 CO 0.73 0.41 1.16 0.12 -2.21 0.00 0.00 174.62 174.83 2kct s PHE 118 N -0.35 3.07 -0.75 9.09 2.19 0.12 -4.29 117.98 127.06 2kct s PHE 118 Ca 0.38 1.21 -0.21 0.00 0.33 0.00 0.00 56.93 58.64 2kct s PHE 118 Cb -0.21 -3.43 0.09 0.00 -1.31 0.00 0.00 43.02 38.15 2kct s PHE 118 CO 0.24 -1.12 1.03 0.21 1.83 0.00 0.00 175.22 177.40 2kct s LYS 119 N 3.41 3.27 -0.29 10.12 2.20 -0.35 -1.21 119.74 136.89 2kct s LYS 119 Ca 0.50 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 2kct s LYS 119 Cb -0.18 -4.48 0.00 0.00 -1.51 0.00 0.00 37.83 31.67 2kct s LYS 119 CO 0.11 -1.82 1.24 0.00 -0.36 0.00 0.00 175.35 174.52 2kct s ALA 120 N 3.68 3.43 0.01 3.13 0.00 -0.41 -1.63 121.76 129.96 2kct s ALA 120 Ca 0.26 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 2kct s ALA 120 Cb -0.13 -3.73 -0.33 0.00 0.00 0.00 0.00 23.12 18.93 2kct s ALA 120 CO 0.04 -1.64 0.99 -0.09 0.00 0.00 0.00 175.76 175.06 2kct h ARG 121 N 8.87 0.49 -4.87 0.00 9.65 -1.40 -3.31 114.38 123.81 2kct h ARG 121 Ca -0.25 -0.79 -0.41 0.00 -1.10 0.00 0.00 59.98 57.44 2kct h ARG 121 Cb 1.09 0.28 -0.28 0.00 -1.39 0.00 0.00 29.97 29.67 2kct h ARG 121 CO 1.03 1.37 -0.78 0.95 2.80 0.00 0.00 179.97 185.33 2kct s THR 122 N -2.64 0.80 0.02 0.20 -4.23 -0.35 -4.88 115.64 104.57 2kct s THR 122 Ca -0.10 -0.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2kct s THR 122 Cb 0.03 -0.69 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 2kct s THR 122 CO 0.91 0.18 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.78 2kct s LEU 123 N -0.36 2.12 -0.06 4.79 2.96 -1.26 -2.34 118.68 124.53 2kct s LEU 123 Ca 0.03 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 2kct s LEU 123 Cb -0.04 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.87 2kct s LEU 123 CO -0.00 0.14 0.46 -0.32 -1.32 0.00 0.00 176.35 175.30 2kct s MET 124 N -0.88 0.78 0.43 1.98 -2.45 -1.07 -4.88 119.30 113.21 2kct s MET 124 Ca 0.05 0.11 -0.15 0.00 -1.25 0.00 0.00 55.69 54.45 2kct s MET 124 Cb -0.08 0.36 -0.08 0.00 1.25 0.00 0.00 34.83 36.28 2kct s MET 124 CO 0.01 -0.21 0.86 0.95 1.05 0.00 0.00 175.02 177.68 2kct s THR 125 N -1.01 4.62 -0.06 10.11 -4.23 -1.26 -0.91 115.64 122.90 2kct s THR 125 Ca -0.10 1.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 2kct s THR 125 Cb -0.03 -3.68 -0.25 0.00 1.34 0.00 0.00 72.50 69.88 2kct s THR 125 CO 0.05 -0.47 0.59 0.50 -0.54 0.00 0.00 174.62 174.75 2kct h LYS 126 N 1.46 0.14 -4.95 3.99 3.64 -1.19 -3.42 116.57 116.23 2kct h LYS 126 Ca -0.47 -0.24 -0.67 0.00 -1.27 0.00 0.00 60.65 58.00 2kct h LYS 126 Cb 1.18 0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.80 2kct h LYS 126 CO 0.63 0.88 -0.73 0.00 -2.27 0.00 0.00 179.45 177.96 2kct s PRO 128 N 1.42 2.42 -0.83 0.00 0.04 -1.26 -4.72 135.00 132.07 2kct s PRO 128 Ca 0.04 0.08 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 2kct s PRO 128 Cb -0.15 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2kct s PRO 128 CO -0.04 -1.20 1.59 -0.51 0.04 0.00 0.00 177.00 176.88 2kct s LEU 129 N -5.33 3.29 0.00 -3.56 1.43 -1.26 -5.15 118.68 108.09 2kct s LEU 129 Ca 0.59 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2kct s LEU 129 Cb -0.11 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2kct s LEU 129 CO 0.48 -2.05 0.32 1.21 0.23 0.00 0.00 176.35 176.54