#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 0.39 -0.02 1.61 5.75 -1.26 -5.08 116.55 117.93 2kcp n ASP 2 Ca 0.00 -1.46 -0.07 0.00 -0.01 0.00 0.00 54.79 53.25 2kcp n ASP 2 Cb 0.00 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.56 2kcp n ASP 2 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kcp n ARG 3 N -2.42 0.17 -3.62 0.11 0.00 -1.26 -5.10 116.66 104.54 2kcp n ARG 3 Ca 0.10 0.07 -0.11 0.00 -0.00 0.00 0.00 57.85 57.91 2kcp n ARG 3 Cb 0.35 -0.79 -0.07 0.00 -0.00 0.00 0.00 32.46 31.95 2kcp n ARG 3 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2kcp s ARG 4 N -2.20 0.61 -0.31 2.89 3.03 -1.26 -5.15 118.95 116.57 2kcp s ARG 4 Ca -0.11 0.57 -0.07 0.00 2.03 0.00 0.00 55.73 58.15 2kcp s ARG 4 Cb 0.03 0.29 0.01 0.00 -1.03 0.00 0.00 34.95 34.26 2kcp s ARG 4 CO 0.14 -0.10 0.10 0.08 -1.13 0.00 0.00 175.30 174.39 2kcp s VAL 5 N -0.04 4.04 -0.87 4.99 1.01 -1.26 -5.04 120.40 123.23 2kcp s VAL 5 Ca 0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2kcp s VAL 5 Cb -0.04 -3.12 0.21 0.00 0.00 0.00 0.00 36.38 33.43 2kcp s VAL 5 CO -0.03 0.02 0.74 -0.13 0.00 0.00 0.00 175.10 175.70 2kcp s ARG 6 N 1.50 3.14 -0.00 2.72 1.81 -1.26 -4.92 118.95 121.94 2kcp s ARG 6 Ca 0.02 -3.31 -0.03 0.00 -1.72 0.00 0.00 55.73 50.69 2kcp s ARG 6 Cb -0.18 -3.86 -0.01 0.00 -0.45 0.00 0.00 34.95 30.45 2kcp s ARG 6 CO 0.03 -1.27 0.58 1.25 -0.68 0.00 0.00 175.30 175.21 2kcp h LEU 7 N 5.87 -0.08 -9.20 2.53 6.46 -2.06 -3.44 115.31 115.39 2kcp h LEU 7 Ca 0.16 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.32 2kcp h LEU 7 Cb 0.80 0.02 -0.12 0.00 -0.73 0.00 0.00 40.66 40.62 2kcp h LEU 7 CO 0.83 -0.03 -0.44 -0.51 -0.62 0.00 0.00 178.44 177.68 2kcp s ILE 8 N -2.32 5.35 -0.21 4.05 2.07 -1.26 -4.98 121.20 123.90 2kcp s ILE 8 Ca -0.01 0.30 -0.10 0.00 -1.41 0.00 0.00 60.65 59.43 2kcp s ILE 8 Cb 0.00 -3.53 -0.09 0.00 0.13 0.00 0.00 42.46 38.97 2kcp s ILE 8 CO 0.04 0.38 -0.26 0.54 -1.91 0.00 0.00 174.94 173.73 2kcp n ARG 9 N 3.88 0.43 -3.49 3.50 3.00 -1.26 -4.96 116.66 117.76 2kcp n ARG 9 Ca -0.14 0.19 -0.37 0.00 -0.01 0.00 0.00 57.85 57.51 2kcp n ARG 9 Cb 0.52 -1.23 -0.08 0.00 0.00 0.00 0.00 32.46 31.67 2kcp n ARG 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2kcp s THR 10 N -2.37 5.26 -0.12 0.55 -1.32 -1.26 -4.95 115.64 111.43 2kcp s THR 10 Ca -0.29 0.53 0.17 0.00 -1.21 0.00 0.00 61.69 60.90 2kcp s THR 10 Cb 0.11 -3.65 0.27 0.00 -1.51 0.00 0.00 72.50 67.72 2kcp s THR 10 CO 0.36 0.30 1.14 -2.11 -2.21 0.00 0.00 174.62 172.10 2kcp n ARG 11 N 4.26 1.32 0.00 7.08 -4.01 -1.26 -4.98 116.66 119.07 2kcp n ARG 11 Ca -0.11 -2.48 0.00 0.00 -1.04 0.00 0.00 57.85 54.23 2kcp n ARG 11 Cb 0.51 -1.44 0.00 0.00 -3.04 0.00 0.00 32.46 28.49 2kcp n ARG 11 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kcp n GLY 12 N -1.35 1.20 5.28 2.89 0.00 -1.26 -4.58 105.19 107.38 2kcp n GLY 12 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kcp n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcp n GLY 13 N 5.00 0.76 0.52 -0.02 0.00 -1.26 -1.59 105.19 108.61 2kcp n GLY 13 Ca 0.00 0.51 0.13 0.00 0.00 0.00 0.00 46.02 46.65 2kcp n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kcp n ASN 14 N 3.76 1.61 -4.21 1.61 5.03 -1.26 -4.90 115.26 116.91 2kcp n ASN 14 Ca 0.00 -1.58 -0.17 0.00 0.87 0.00 0.00 54.58 53.70 2kcp n ASN 14 Cb 0.00 -0.04 -0.11 0.00 -1.02 0.00 0.00 39.78 38.61 2kcp n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kcp s THR 15 N -1.93 1.14 0.75 3.41 2.01 -0.62 -5.14 115.64 115.26 2kcp s THR 15 Ca 0.36 -1.63 -0.15 0.00 0.31 0.00 0.00 61.69 60.58 2kcp s THR 15 Cb 0.20 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 71.34 2kcp s THR 15 CO 0.31 -0.45 1.07 2.29 -0.69 0.00 0.00 174.62 177.15 2kcp n LYS 16 N 0.64 0.45 -2.14 4.92 2.85 -1.26 -4.34 118.16 119.28 2kcp n LYS 16 Ca -0.16 0.22 -0.35 0.00 -1.05 0.00 0.00 58.31 56.96 2kcp n LYS 16 Cb 0.57 -2.32 -0.04 0.00 -0.65 0.00 0.00 35.03 32.59 2kcp n LYS 16 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2kcp n VAL 17 N -2.73 2.68 0.00 0.58 3.14 -1.26 -4.55 118.33 116.19 2kcp n VAL 17 Ca 0.13 -2.73 0.00 0.00 -2.96 0.00 0.00 64.34 58.78 2kcp n VAL 17 Cb 0.50 -2.27 0.00 0.00 -1.06 0.00 0.00 33.84 31.01 2kcp n VAL 17 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2kcp n ARG 18 N 8.09 0.00 -3.62 1.45 -4.01 -1.26 -4.22 116.66 113.09 2kcp n ARG 18 Ca 0.47 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 57.06 2kcp n ARG 18 Cb 0.45 0.00 -0.17 0.00 -3.04 0.00 0.00 32.46 29.71 2kcp n ARG 18 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2kcp s LEU 19 N 0.00 0.16 -0.14 2.89 0.20 -1.26 -5.10 118.68 115.44 2kcp s LEU 19 Ca 0.00 -0.22 -0.06 0.00 0.69 0.00 0.00 54.13 54.54 2kcp s LEU 19 Cb 0.00 -0.06 0.06 0.00 -0.43 0.00 0.00 46.19 45.76 2kcp s LEU 19 CO 0.00 -0.30 0.30 0.00 -0.29 0.00 0.00 176.35 176.06 2kcp s ALA 20 N 2.19 -0.72 -0.04 5.97 0.00 -1.26 -4.85 121.76 123.05 2kcp s ALA 20 Ca 0.04 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2kcp s ALA 20 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.09 2kcp s ALA 20 CO -0.07 -0.41 0.00 0.45 0.00 0.00 0.00 175.76 175.73 2kcp n SER 21 N 4.71 -5.15 0.00 0.00 2.88 -1.26 -4.88 113.62 109.93 2kcp n SER 21 Ca -0.17 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2kcp n SER 21 Cb 0.52 -2.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.30 2kcp n SER 21 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kcp n ASP 22 N -0.71 0.00 -4.54 -3.46 2.03 -1.26 -4.92 116.55 103.69 2kcp n ASP 22 Ca -0.00 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 54.92 2kcp n ASP 22 Cb 0.36 -0.15 -0.09 0.00 -0.72 0.00 0.00 41.12 40.53 2kcp n ASP 22 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kcp s THR 23 N -0.30 5.08 0.05 5.18 2.01 -1.26 -5.06 115.64 121.35 2kcp s THR 23 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2kcp s THR 23 Cb 0.00 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2kcp s THR 23 CO 0.00 -0.22 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.06 2kcp s ARG 24 N 2.21 0.53 -0.05 4.92 3.52 -1.26 -1.20 118.95 127.62 2kcp s ARG 24 Ca 0.15 -0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 54.75 2kcp s ARG 24 Cb -0.16 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2kcp s ARG 24 CO 0.13 -0.05 0.14 -1.50 -0.81 0.00 0.00 175.30 173.21 2kcp s ILE 25 N -2.60 -0.01 -0.39 4.11 2.07 0.56 -4.19 121.20 120.75 2kcp s ILE 25 Ca -0.03 0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 2kcp s ILE 25 Cb -0.02 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.38 2kcp s ILE 25 CO -0.04 0.01 0.67 0.20 -1.91 0.00 0.00 174.94 173.87 2kcp s ASN 26 N 0.25 6.41 -0.02 4.50 -0.87 0.14 -0.69 114.94 124.66 2kcp s ASN 26 Ca -0.01 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 2kcp s ASN 26 Cb -0.03 -2.34 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 2kcp s ASN 26 CO -0.01 -0.70 0.03 -0.69 -2.57 0.00 0.00 177.10 173.16 2kcp s VAL 27 N 2.86 4.42 -0.18 1.60 1.01 0.55 -2.45 120.40 128.21 2kcp s VAL 27 Ca 0.25 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2kcp s VAL 27 Cb -0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2kcp s VAL 27 CO 0.17 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 2kcp s VAL 28 N -1.09 4.59 -0.19 2.92 1.01 0.82 0.32 120.40 128.79 2kcp s VAL 28 Ca 0.20 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2kcp s VAL 28 Cb -0.12 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2kcp s VAL 28 CO 0.10 0.47 0.83 -0.62 0.00 0.00 0.00 175.10 175.88 2kcp s ASP 29 N 0.37 6.92 0.32 3.32 -1.08 0.44 -0.90 116.67 126.05 2kcp s ASP 29 Ca 0.01 1.13 0.25 0.00 -0.52 0.00 0.00 52.55 53.43 2kcp s ASP 29 Cb -0.13 -2.45 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 2kcp s ASP 29 CO 0.01 -0.42 1.71 1.55 0.52 0.00 0.00 175.17 178.53 2kcp h PRO 30 N 7.41 0.00 0.09 4.34 0.13 -1.89 -1.05 132.00 141.03 2kcp h PRO 30 Ca -0.28 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.55 2kcp h PRO 30 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kcp h PRO 30 CO 0.84 0.00 -1.58 0.93 -0.23 0.00 0.00 178.00 177.97 2kcp h GLU 31 N 0.00 0.20 0.00 0.86 4.39 -1.93 -3.41 114.58 114.69 2kcp h GLU 31 Ca 0.00 -0.34 -0.27 0.00 0.34 0.00 0.00 59.36 59.09 2kcp h GLU 31 Cb 0.84 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 2kcp h GLU 31 CO 0.00 1.16 -2.01 0.25 -1.16 0.00 0.00 179.01 177.26 2kcp n THR 32 N -3.89 1.01 -0.34 1.13 -2.24 -1.26 -5.02 114.28 103.67 2kcp n THR 32 Ca -0.29 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2kcp n THR 32 Cb 0.90 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 2.17 0.82 3.81 3.38 0.00 -0.40 -5.07 105.19 109.89 2kcp n GLY 33 Ca -0.25 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -0.67 4.26 -0.53 1.61 -2.85 -1.25 -4.78 119.74 115.53 2kcp s LYS 34 Ca 0.00 0.85 -0.19 0.00 -1.00 0.00 0.00 55.97 55.63 2kcp s LYS 34 Cb 0.00 -3.00 0.08 0.00 -2.06 0.00 0.00 37.83 32.84 2kcp s LYS 34 CO 0.00 0.47 0.64 0.08 0.10 0.00 0.00 175.35 176.64 2kcp s VAL 35 N -1.39 4.88 -0.11 1.79 1.01 -1.26 -0.42 120.40 124.89 2kcp s VAL 35 Ca 0.39 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2kcp s VAL 35 Cb -0.18 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2kcp s VAL 35 CO 0.21 -0.90 -0.03 -0.70 0.00 0.00 0.00 175.10 173.68 2kcp s GLU 36 N 2.58 3.23 -0.12 2.72 2.56 0.15 -4.90 118.70 124.92 2kcp s GLU 36 Ca 0.13 -0.48 -0.19 0.00 0.00 0.00 0.00 54.97 54.43 2kcp s GLU 36 Cb -0.21 -2.81 -0.04 0.00 2.00 0.00 0.00 34.13 33.07 2kcp s GLU 36 CO 0.10 0.50 0.54 0.42 -0.56 0.00 0.00 175.26 176.25 2kcp s ILE 37 N -0.35 5.14 0.19 -3.70 1.01 -1.26 -0.33 121.20 121.90 2kcp s ILE 37 Ca 0.06 1.07 0.07 0.00 0.00 0.00 0.00 60.65 61.85 2kcp s ILE 37 Cb -0.12 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2kcp s ILE 37 CO 0.02 0.28 -0.14 0.00 0.00 0.00 0.00 174.94 175.10 2kcp s ALA 38 N 0.84 1.93 -0.08 9.38 0.00 0.13 -4.93 121.76 129.03 2kcp s ALA 38 Ca 0.28 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 2kcp s ALA 38 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2kcp s ALA 38 CO 0.12 0.07 -0.01 -1.21 0.00 0.00 0.00 175.76 174.73 2kcp s GLU 39 N -3.50 2.94 -0.32 0.00 2.02 -1.26 -0.33 118.70 118.25 2kcp s GLU 39 Ca 0.20 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.58 2kcp s GLU 39 Cb -0.01 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2kcp s GLU 39 CO 0.06 0.70 0.52 0.42 0.02 0.00 0.00 175.26 176.98 2kcp s ILE 40 N -0.87 5.02 -0.14 -1.63 1.01 -0.34 -1.83 121.20 122.42 2kcp s ILE 40 Ca 0.13 0.52 -0.19 0.00 0.00 0.00 0.00 60.65 61.12 2kcp s ILE 40 Cb -0.11 -3.93 -0.16 0.00 0.01 0.00 0.00 42.46 38.26 2kcp s ILE 40 CO 0.02 -0.14 0.40 0.03 0.00 0.00 0.00 174.94 175.26 2kcp h ARG 41 N 8.33 0.00 -5.12 2.79 3.08 -0.68 -3.45 114.38 119.34 2kcp h ARG 41 Ca -0.28 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.10 2kcp h ARG 41 Cb 1.13 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.87 2kcp h ARG 41 CO 0.76 0.66 -0.80 -0.80 -1.07 0.00 0.00 179.97 178.72 2kcp s ASN 42 N -6.12 3.63 -0.11 7.04 0.01 -0.98 -5.00 114.94 113.41 2kcp s ASN 42 Ca -0.15 -0.51 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 2kcp s ASN 42 Cb -0.00 -1.57 0.31 0.00 0.41 0.00 0.00 41.25 40.40 2kcp s ASN 42 CO 0.46 0.04 1.07 1.33 -1.51 0.00 0.00 177.10 178.49 2kcp n VAL 43 N 4.36 1.24 -5.12 1.60 0.24 -1.26 -0.78 118.33 118.61 2kcp n VAL 43 Ca -0.19 -0.59 -0.29 0.00 -2.04 0.00 0.00 64.34 61.23 2kcp n VAL 43 Cb 0.51 -0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 32.23 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -1.62 1.79 0.40 3.34 0.11 -1.26 -4.78 120.40 118.38 2kcp s VAL 44 Ca 0.22 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 2kcp s VAL 44 Cb 0.17 -1.49 0.09 0.00 -1.53 0.00 0.00 36.38 33.61 2kcp s VAL 44 CO 0.06 0.51 0.54 -1.84 -3.33 0.00 0.00 175.10 171.04 2kcp n GLU 45 N 2.63 -0.22 -2.22 1.54 0.28 -1.08 -4.49 120.64 117.07 2kcp n GLU 45 Ca -0.16 -1.06 -0.42 0.00 -0.16 0.00 0.00 57.16 55.36 2kcp n GLU 45 Cb 0.52 -0.49 0.00 0.00 1.43 0.00 0.00 31.44 32.91 2kcp n GLU 45 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kcp n ASN 46 N -3.21 5.86 -4.58 -1.84 0.23 -1.26 -4.95 115.26 105.51 2kcp n ASN 46 Ca 0.08 -3.10 -0.43 0.00 -0.53 0.00 0.00 54.58 50.59 2kcp n ASN 46 Cb 0.27 -1.45 -0.03 0.00 -2.08 0.00 0.00 39.78 36.48 2kcp n ASN 46 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2kcp s THR 47 N 0.08 4.42 0.06 5.53 -4.23 -1.26 -4.95 115.64 115.29 2kcp s THR 47 Ca 0.44 0.98 -0.28 0.00 -1.18 0.00 0.00 61.69 61.65 2kcp s THR 47 Cb 0.12 -4.46 -0.17 0.00 1.34 0.00 0.00 72.50 69.33 2kcp s THR 47 CO -0.02 -0.82 1.55 0.00 -0.54 0.00 0.00 174.62 174.79 2kcp h ALA 48 N 8.99 -0.49 -3.20 3.99 0.00 -2.06 -3.36 119.26 123.13 2kcp h ALA 48 Ca -0.23 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 53.85 2kcp h ALA 48 Cb 1.07 0.19 -0.36 0.00 0.00 0.00 0.00 17.79 18.69 2kcp h ALA 48 CO 1.05 -0.72 -0.46 -0.80 0.00 0.00 0.00 179.25 178.31 2kcp s ASN 49 N -4.84 5.14 0.60 0.00 -0.87 -1.26 -5.11 114.94 108.61 2kcp s ASN 49 Ca -0.15 -2.57 -0.14 0.00 -1.57 0.00 0.00 52.86 48.43 2kcp s ASN 49 Cb 0.04 -1.82 -0.04 0.00 -0.02 0.00 0.00 41.25 39.41 2kcp s ASN 49 CO 0.61 -0.42 1.04 -2.16 -2.57 0.00 0.00 177.10 173.61 2kcp s PRO 50 N 0.35 3.41 0.40 -0.60 0.04 -1.26 -5.07 135.00 132.28 2kcp s PRO 50 Ca 0.14 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 2kcp s PRO 50 Cb -0.22 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 2kcp s PRO 50 CO -0.04 -0.72 0.78 -1.01 0.04 0.00 0.00 177.00 176.05 2kcp s HIS 51 N -2.74 3.46 0.04 0.56 3.76 -1.26 -4.97 115.29 114.14 2kcp s HIS 51 Ca 0.60 1.08 0.29 0.00 -0.15 0.00 0.00 55.06 56.88 2kcp s HIS 51 Cb -0.13 -2.47 1.53 0.00 1.11 0.00 0.00 32.58 32.62 2kcp s HIS 51 CO 0.42 -0.11 1.90 0.27 -0.85 0.00 0.00 174.74 176.38 2kcp h PHE 52 N 1.31 0.00 -3.59 1.40 -0.00 -2.08 -3.40 116.94 110.58 2kcp h PHE 52 Ca -0.47 0.00 -0.62 0.00 -0.00 0.00 0.00 57.97 56.88 2kcp h PHE 52 Cb 1.19 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.00 2kcp h PHE 52 CO 0.61 0.00 -0.34 0.08 -0.00 0.00 0.00 178.31 178.66 2kcp s VAL 53 N -3.71 5.26 -0.28 0.88 1.01 -1.26 -5.06 120.40 117.24 2kcp s VAL 53 Ca -0.02 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 2kcp s VAL 53 Cb 0.09 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.95 2kcp s VAL 53 CO 0.31 0.27 0.93 -0.60 0.00 0.00 0.00 175.10 176.00 2kcp s ARG 54 N 1.39 0.56 0.37 2.72 3.52 -1.26 -5.16 118.95 121.10 2kcp s ARG 54 Ca 0.13 0.74 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2kcp s ARG 54 Cb -0.15 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.47 2kcp s ARG 54 CO 0.07 -0.08 0.08 2.89 -0.81 0.00 0.00 175.30 177.46 2kcp n ARG 55 N 2.76 0.75 0.00 5.12 1.85 -1.26 -5.06 116.66 120.82 2kcp n ARG 55 Ca -0.14 -2.97 0.12 0.00 -1.00 0.00 0.00 57.85 53.86 2kcp n ARG 55 Cb 0.56 1.33 0.28 0.00 -1.05 0.00 0.00 32.46 33.58 2kcp n ARG 55 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kcp n ASN 56 N -1.49 0.64 -4.64 2.89 4.13 -1.26 -4.87 115.26 110.66 2kcp n ASN 56 Ca -0.09 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.32 2kcp n ASN 56 Cb 0.52 0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.97 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kcp s ILE 57 N -2.87 4.49 0.51 2.41 -1.09 -1.26 -4.93 121.20 118.46 2kcp s ILE 57 Ca 0.14 1.72 -0.21 0.00 -2.23 0.00 0.00 60.65 60.07 2kcp s ILE 57 Cb 0.18 -4.39 -0.07 0.00 -1.58 0.00 0.00 42.46 36.61 2kcp s ILE 57 CO 0.66 -0.46 1.13 -0.63 -1.23 0.00 0.00 174.94 174.41 2kcp s ILE 58 N 3.68 3.21 0.23 2.92 1.01 -1.26 -5.07 121.20 125.93 2kcp s ILE 58 Ca 0.46 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.94 2kcp s ILE 58 Cb -0.13 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2kcp s ILE 58 CO 0.15 -0.12 0.03 0.28 0.00 0.00 0.00 174.94 175.28 2kcp s THR 59 N -1.72 0.87 0.11 2.92 -1.32 -1.26 -4.81 115.64 110.43 2kcp s THR 59 Ca 0.69 -2.01 -0.31 0.00 -1.21 0.00 0.00 61.69 58.85 2kcp s THR 59 Cb -0.25 -2.41 -0.09 0.00 -1.51 0.00 0.00 72.50 68.25 2kcp s THR 59 CO 0.29 -0.25 1.64 -0.60 -2.21 0.00 0.00 174.62 173.48 2kcp s ARG 60 N -3.92 4.20 0.00 7.08 3.52 -1.26 -2.24 118.95 126.33 2kcp s ARG 60 Ca 0.30 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 2kcp s ARG 60 Cb 0.06 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2kcp s ARG 60 CO 0.10 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 2kcp n GLY 61 N 3.93 0.75 3.90 8.12 0.00 -0.66 -5.06 105.19 116.17 2kcp n GLY 61 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.37 3.63 -0.15 4.61 0.00 -0.95 -4.83 121.76 121.70 2kcp s ALA 62 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2kcp s ALA 62 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2kcp s ALA 62 CO 0.00 0.35 -0.10 0.08 0.00 0.00 0.00 175.76 176.09 2kcp s VAL 63 N -1.98 3.28 0.18 0.00 1.01 -1.26 -0.75 120.40 120.88 2kcp s VAL 63 Ca 0.44 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2kcp s VAL 63 Cb -0.11 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2kcp s VAL 63 CO 0.27 0.51 -0.12 0.68 0.00 0.00 0.00 175.10 176.44 2kcp s VAL 64 N 0.48 3.06 -0.46 2.92 -7.23 -0.39 -2.65 120.40 116.13 2kcp s VAL 64 Ca -0.07 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.16 2kcp s VAL 64 Cb -0.15 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.31 2kcp s VAL 64 CO 0.04 -0.10 0.76 -0.70 -0.31 0.00 0.00 175.10 174.78 2kcp s GLU 65 N -2.79 3.35 0.39 4.82 2.12 0.04 -1.47 118.70 125.17 2kcp s GLU 65 Ca 0.24 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.42 2kcp s GLU 65 Cb -0.09 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 2kcp s GLU 65 CO 0.14 -1.14 0.23 0.95 -0.54 0.00 0.00 175.26 174.90 2kcp s THR 66 N 3.22 2.65 0.54 -1.70 -4.23 0.41 0.07 115.64 116.60 2kcp s THR 66 Ca 0.27 -1.58 0.42 0.00 -1.18 0.00 0.00 61.69 59.62 2kcp s THR 66 Cb -0.13 -3.00 0.42 0.00 1.34 0.00 0.00 72.50 71.13 2kcp s THR 66 CO 0.21 -0.06 2.28 -0.55 -0.54 0.00 0.00 174.62 175.96 2kcp h ASN 67 N 1.34 0.00 0.31 3.99 -1.07 -1.74 -1.72 115.58 116.69 2kcp h ASN 67 Ca -0.43 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 55.62 2kcp h ASN 67 Cb 1.26 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.45 2kcp h ASN 67 CO 0.64 0.00 -1.95 0.18 0.07 0.00 0.00 177.43 176.37 2kcp n LEU 68 N -2.97 0.72 0.00 6.14 4.77 -1.26 -5.06 117.00 119.34 2kcp n LEU 68 Ca -0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kcp n LEU 68 Cb 0.07 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2kcp n LEU 68 CO 0.19 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2kcp n GLY 69 N 1.65 -0.05 3.62 -0.72 0.00 -0.65 -5.05 105.19 103.98 2kcp n GLY 69 Ca -0.23 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.48 -0.19 1.61 0.02 -0.74 -0.45 114.94 117.67 2kcp s ASN 70 Ca 0.00 0.55 -0.04 0.00 -1.02 0.00 0.00 52.86 52.35 2kcp s ASN 70 Cb 0.00 -2.30 -0.02 0.00 0.02 0.00 0.00 41.25 38.95 2kcp s ASN 70 CO 0.00 -0.35 -0.03 -0.69 0.02 0.00 0.00 177.10 176.05 2kcp s VAL 71 N 2.42 3.70 -0.35 1.60 1.01 -0.54 -0.30 120.40 127.93 2kcp s VAL 71 Ca 0.23 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2kcp s VAL 71 Cb -0.15 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 2kcp s VAL 71 CO 0.09 0.45 0.59 -0.60 0.00 0.00 0.00 175.10 175.63 2kcp s ARG 72 N 0.96 3.68 -0.08 2.72 3.52 -0.28 -1.26 118.95 128.21 2kcp s ARG 72 Ca 0.00 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 2kcp s ARG 72 Cb -0.15 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2kcp s ARG 72 CO 0.01 -0.69 1.38 0.08 -0.81 0.00 0.00 175.30 175.28 2kcp s VAL 73 N 2.59 3.97 -0.22 7.11 1.01 0.07 -0.88 120.40 134.04 2kcp s VAL 73 Ca 0.22 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 2kcp s VAL 73 Cb -0.15 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 2kcp s VAL 73 CO 0.14 -0.07 -0.23 0.35 0.00 0.00 0.00 175.10 175.29 2kcp n THR 74 N 5.13 1.24 -2.59 3.92 -2.24 -0.78 -1.66 114.28 117.32 2kcp n THR 74 Ca 0.14 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 2kcp n THR 74 Cb 0.44 -1.46 0.08 0.00 -2.10 0.00 0.00 70.33 67.29 2kcp n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2kcp n SER 75 N -3.45 1.03 -4.69 3.42 2.88 -1.15 -4.81 113.62 106.85 2kcp n SER 75 Ca -0.41 -1.84 -0.41 0.00 -1.33 0.00 0.00 58.87 54.88 2kcp n SER 75 Cb 0.88 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 2kcp n SER 75 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kcp s ARG 76 N -4.21 4.37 0.12 -1.46 0.52 -1.26 -4.66 118.95 112.37 2kcp s ARG 76 Ca 0.46 1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 56.39 2kcp s ARG 76 Cb -0.03 -3.52 -0.10 0.00 0.52 0.00 0.00 34.95 31.82 2kcp s ARG 76 CO 0.30 -0.18 1.81 -1.25 0.02 0.00 0.00 175.30 175.99 2kcp s PRO 77 N 1.62 4.14 0.00 3.54 0.04 -1.26 -1.81 135.00 141.27 2kcp s PRO 77 Ca 0.40 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.00 2kcp s PRO 77 Cb -0.17 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2kcp s PRO 77 CO 0.16 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2kcp n GLY 78 N 4.20 0.91 0.29 0.56 0.00 -1.23 -4.98 105.19 104.93 2kcp n GLY 78 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kcp h GLN 79 N 3.78 -0.40 -0.70 1.61 -0.00 -1.49 -1.88 115.11 116.02 2kcp h GLN 79 Ca 0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 58.65 58.45 2kcp h GLN 79 Cb 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 27.48 27.44 2kcp h GLN 79 CO 0.00 -0.27 0.26 -3.47 0.00 0.00 0.00 178.83 175.35 2kcp n ASP 80 N -4.26 4.54 0.00 -0.69 2.03 -1.26 -4.89 116.55 112.02 2kcp n ASP 80 Ca -0.05 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 51.98 2kcp n ASP 80 Cb 0.24 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N -0.33 2.71 3.78 0.27 0.00 -0.71 -5.00 105.19 105.91 2kcp n GLY 81 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N -1.15 3.09 0.03 1.61 0.11 -1.26 -4.36 120.40 118.48 2kcp s VAL 82 Ca 0.00 -1.58 -0.00 0.00 -2.93 0.00 0.00 61.98 57.46 2kcp s VAL 82 Cb 0.00 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2kcp s VAL 82 CO 0.00 -0.16 0.15 -0.63 -3.33 0.00 0.00 175.10 171.14 2kcp s ILE 83 N -2.41 5.12 -0.07 7.04 1.01 -1.26 -3.55 121.20 127.08 2kcp s ILE 83 Ca 0.39 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.69 2kcp s ILE 83 Cb -0.03 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2kcp s ILE 83 CO 0.24 0.22 -0.24 0.20 0.00 0.00 0.00 174.94 175.37 2kcp s ASN 84 N -2.20 3.18 0.36 3.58 0.02 -1.26 -0.68 114.94 117.94 2kcp s ASN 84 Ca 0.30 -0.49 -0.11 0.00 -1.02 0.00 0.00 52.86 51.54 2kcp s ASN 84 Cb -0.13 -0.94 0.03 0.00 0.02 0.00 0.00 41.25 40.23 2kcp s ASN 84 CO 0.22 0.24 0.66 -0.83 0.02 0.00 0.00 177.10 177.41 2kcp s GLY 85 N -0.12 0.80 -0.04 0.66 0.00 -1.03 -1.86 107.32 105.73 2kcp s GLY 85 Ca -0.05 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.65 2kcp s GLY 85 CO 0.04 -0.58 -0.06 0.14 0.00 0.00 0.00 173.10 172.64 2kcp s VAL 86 N -2.67 3.71 -0.44 1.40 1.01 -0.06 -0.12 120.40 123.23 2kcp s VAL 86 Ca 0.21 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 2kcp s VAL 86 Cb -0.03 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.82 2kcp s VAL 86 CO 0.15 0.53 1.01 -0.22 0.00 0.00 0.00 175.10 176.56 2kcp s LEU 87 N -1.03 3.87 0.00 3.92 2.96 -0.08 -1.13 118.68 127.19 2kcp s LEU 87 Ca 0.14 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 2kcp s LEU 87 Cb -0.11 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2kcp s LEU 87 CO 0.04 -1.07 0.00 2.30 -1.32 0.00 0.00 176.35 176.29 2kcp n ILE 88 N 6.45 0.00 -3.58 6.68 -5.35 0.59 -4.42 119.36 119.73 2kcp n ILE 88 Ca 0.09 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.28 2kcp n ILE 88 Cb 0.48 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.24 2kcp n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2kcp s ARG 89 N -1.89 0.36 0.11 6.28 1.81 -1.26 -1.79 118.95 122.56 2kcp s ARG 89 Ca 0.00 -0.74 -0.02 0.00 -1.72 0.00 0.00 55.73 53.25 2kcp s ARG 89 Cb 0.00 -1.38 -0.18 0.00 -0.45 0.00 0.00 34.95 32.93 2kcp s ARG 89 CO 0.00 -1.03 1.23 0.93 -0.68 0.00 0.00 175.30 175.76 2kcp h GLU 90 N 8.21 0.27 -4.32 3.54 4.39 -2.00 -3.46 114.58 121.21 2kcp h GLU 90 Ca -0.16 -0.38 -0.26 0.00 0.34 0.00 0.00 59.36 58.90 2kcp h GLU 90 Cb 1.01 0.13 -0.23 0.00 -0.10 0.00 0.00 28.75 29.55 2kcp h GLU 90 CO 0.44 1.13 -0.73 -0.48 -1.16 0.00 0.00 179.01 178.20 2kcp s LEU 91 N -7.30 2.18 0.76 1.33 2.34 -1.26 -5.11 118.68 111.61 2kcp s LEU 91 Ca -0.04 -0.39 -0.12 0.00 0.06 0.00 0.00 54.13 53.65 2kcp s LEU 91 Cb 0.08 -0.12 0.05 0.00 -0.56 0.00 0.00 46.19 45.64 2kcp s LEU 91 CO 0.86 -0.15 1.11 -0.70 -1.06 0.00 0.00 176.35 176.41 2kcp s GLU 92 N -1.09 2.40 0.48 1.48 2.12 -1.26 -4.93 118.70 117.89 2kcp s GLU 92 Ca -0.08 0.50 0.32 0.00 0.36 0.00 0.00 54.97 56.08 2kcp s GLU 92 Cb -0.07 -1.97 1.43 0.00 0.26 0.00 0.00 34.13 33.78 2kcp s GLU 92 CO -0.00 -1.37 1.71 1.25 -0.54 0.00 0.00 175.26 176.31 2kcp h HIS 93 N -0.90 0.32 -3.55 5.30 -0.00 -2.02 -3.29 115.15 111.00 2kcp h HIS 93 Ca -0.46 0.01 -0.62 0.00 -0.00 0.00 0.00 60.37 59.31 2kcp h HIS 93 Cb 1.27 -0.09 -0.39 0.00 -0.00 0.00 0.00 27.41 28.20 2kcp h HIS 93 CO 0.46 -0.04 -0.77 -1.58 -0.00 0.00 0.00 177.93 176.01 2kcp s HIS 94 N -5.17 2.57 0.53 5.26 5.65 -1.26 -5.14 115.29 117.73 2kcp s HIS 94 Ca -0.07 -2.04 -0.09 0.00 0.25 0.00 0.00 55.06 53.12 2kcp s HIS 94 Cb 0.26 -1.91 0.12 0.00 -1.18 0.00 0.00 32.58 29.87 2kcp s HIS 94 CO 0.82 -0.84 0.68 -2.39 -0.65 0.00 0.00 174.74 172.37 2kcp n HIS 95 N 4.61 -3.94 -1.61 3.88 1.44 -1.24 -4.94 115.22 113.42 2kcp n HIS 95 Ca -0.06 -0.60 -0.52 0.00 -2.01 0.00 0.00 57.72 54.52 2kcp n HIS 95 Cb 0.43 -0.54 -0.06 0.00 0.12 0.00 0.00 29.99 29.94 2kcp n HIS 95 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcp n HIS 96 N -3.05 1.65 0.00 -1.40 -0.00 -1.26 -4.90 115.22 106.26 2kcp n HIS 96 Ca 0.09 0.59 0.00 0.00 0.46 0.00 0.00 57.72 58.86 2kcp n HIS 96 Cb 0.30 -2.37 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 2kcp n HIS 96 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcp n HIS 97 N 3.03 0.00 0.60 1.57 -0.00 -1.26 -5.22 115.22 113.94 2kcp n HIS 97 Ca 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.96 2kcp n HIS 97 Cb 0.19 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.47 2kcp n HIS 97 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06