#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 3.69 -3.23 1.61 9.92 -1.26 -4.66 116.55 122.62 2kcp n ASP 2 Ca 0.00 -2.81 -0.11 0.00 -0.53 0.00 0.00 54.79 51.34 2kcp n ASP 2 Cb 0.00 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 38.87 2kcp n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kcp s ARG 3 N 3.70 0.78 -0.34 -1.24 3.03 -1.26 -5.03 118.95 118.59 2kcp s ARG 3 Ca 0.50 -0.83 -0.04 0.00 2.03 0.00 0.00 55.73 57.39 2kcp s ARG 3 Cb 0.13 -0.44 0.01 0.00 -1.03 0.00 0.00 34.95 33.61 2kcp s ARG 3 CO -0.03 -1.23 0.16 0.54 -1.13 0.00 0.00 175.30 173.61 2kcp n ARG 4 N 3.98 -3.21 -3.59 3.89 1.74 -1.26 -5.08 116.66 113.13 2kcp n ARG 4 Ca 0.14 2.62 -0.23 0.00 -0.77 0.00 0.00 57.85 59.61 2kcp n ARG 4 Cb 0.50 -5.47 -0.01 0.00 -1.02 0.00 0.00 32.46 26.47 2kcp n ARG 4 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2kcp n VAL 5 N 0.43 0.00 -1.69 1.55 0.24 -1.26 -5.08 118.33 112.52 2kcp n VAL 5 Ca 0.03 -1.85 -0.44 0.00 -2.04 0.00 0.00 64.34 60.04 2kcp n VAL 5 Cb 0.12 -0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 2kcp n VAL 5 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp n ARG 6 N -1.47 2.55 -1.17 7.34 1.74 -1.26 -4.86 116.66 119.54 2kcp n ARG 6 Ca -0.05 0.93 -0.18 0.00 -0.77 0.00 0.00 57.85 57.78 2kcp n ARG 6 Cb 0.52 -2.77 -0.13 0.00 -1.02 0.00 0.00 32.46 29.07 2kcp n ARG 6 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2kcp n LEU 7 N 4.64 5.74 -4.77 0.55 0.00 -1.26 -4.90 117.00 117.00 2kcp n LEU 7 Ca 0.18 -3.51 -0.39 0.00 0.00 0.00 0.00 56.01 52.29 2kcp n LEU 7 Cb 0.33 -1.36 -0.06 0.00 0.00 0.00 0.00 43.42 42.33 2kcp n LEU 7 CO 0.65 1.72 0.60 -0.51 0.00 0.00 0.00 177.39 179.86 2kcp s ILE 8 N -0.04 4.20 1.00 1.96 2.07 -1.26 -5.04 121.20 124.10 2kcp s ILE 8 Ca 0.64 1.88 -0.14 0.00 -1.41 0.00 0.00 60.65 61.63 2kcp s ILE 8 Cb 0.34 -4.17 0.08 0.00 0.13 0.00 0.00 42.46 38.83 2kcp s ILE 8 CO -0.07 0.38 0.40 -2.11 -1.91 0.00 0.00 174.94 171.62 2kcp n ARG 9 N 1.18 -0.75 -1.86 3.50 1.85 -1.26 -4.92 116.66 114.40 2kcp n ARG 9 Ca -0.02 -0.18 -0.37 0.00 -1.00 0.00 0.00 57.85 56.28 2kcp n ARG 9 Cb 0.48 -1.87 0.05 0.00 -1.05 0.00 0.00 32.46 30.07 2kcp n ARG 9 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kcp s THR 10 N -2.38 2.28 0.32 8.89 -4.23 -1.26 -5.05 115.64 114.21 2kcp s THR 10 Ca 0.58 0.19 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 2kcp s THR 10 Cb -0.19 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 2kcp s THR 10 CO 0.66 -0.03 0.06 -2.11 -0.54 0.00 0.00 174.62 172.66 2kcp n ARG 11 N -1.46 0.90 -1.77 3.99 1.85 -1.26 -5.05 116.66 113.87 2kcp n ARG 11 Ca 0.13 -2.49 -0.19 0.00 -1.00 0.00 0.00 57.85 54.30 2kcp n ARG 11 Cb 0.48 1.02 -0.06 0.00 -1.05 0.00 0.00 32.46 32.85 2kcp n ARG 11 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2kcp s GLY 12 N -2.84 -0.43 -0.22 2.89 0.00 -1.26 -4.63 107.32 100.83 2kcp s GLY 12 Ca 0.08 -1.14 0.23 0.00 0.00 0.00 0.00 44.72 43.89 2kcp s GLY 12 CO 0.06 3.93 1.13 0.61 0.00 0.00 0.00 173.10 178.83 2kcp n GLY 13 N 6.78 1.67 2.55 0.20 0.00 -1.26 -5.00 105.19 110.13 2kcp n GLY 13 Ca 0.44 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2kcp n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kcp s ASN 14 N -3.43 2.78 -0.24 1.61 3.04 -1.26 -5.11 114.94 112.33 2kcp s ASN 14 Ca 0.27 -2.84 -0.13 0.00 0.04 0.00 0.00 52.86 50.20 2kcp s ASN 14 Cb 0.33 -0.72 -0.04 0.00 -1.54 0.00 0.00 41.25 39.28 2kcp s ASN 14 CO -0.06 -0.22 0.29 -0.89 -3.04 0.00 0.00 177.10 173.18 2kcp s THR 15 N 0.19 5.26 0.86 -5.21 2.01 -1.26 -5.08 115.64 112.41 2kcp s THR 15 Ca 0.24 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.57 2kcp s THR 15 Cb -0.11 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.89 2kcp s THR 15 CO -0.09 0.27 1.09 -0.54 -0.69 0.00 0.00 174.62 174.65 2kcp s LYS 16 N 1.42 1.53 0.67 4.92 1.02 -1.26 -5.05 119.74 122.99 2kcp s LYS 16 Ca 0.13 0.79 -0.15 0.00 0.02 0.00 0.00 55.97 56.77 2kcp s LYS 16 Cb -0.15 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2kcp s LYS 16 CO 0.07 -2.04 1.12 0.54 -0.92 0.00 0.00 175.35 174.12 2kcp s VAL 17 N -2.99 3.15 0.47 3.17 0.11 -1.26 -4.91 120.40 118.13 2kcp s VAL 17 Ca 0.63 0.53 0.31 0.00 -2.93 0.00 0.00 61.98 60.51 2kcp s VAL 17 Cb -0.17 -3.05 0.51 0.00 -1.53 0.00 0.00 36.38 32.13 2kcp s VAL 17 CO 0.56 -0.33 1.71 0.08 -3.33 0.00 0.00 175.10 173.79 2kcp h ARG 18 N -0.03 0.14 -2.53 1.54 0.11 -1.97 -3.35 114.38 108.29 2kcp h ARG 18 Ca -0.47 -0.01 -0.30 0.00 0.10 0.00 0.00 59.98 59.31 2kcp h ARG 18 Cb 1.25 -0.03 -0.35 0.00 1.11 0.00 0.00 29.97 31.95 2kcp h ARG 18 CO 0.54 0.09 -0.61 -1.17 0.10 0.00 0.00 179.97 178.92 2kcp s LEU 19 N -9.05 -0.16 -0.66 0.08 0.20 -1.26 -4.83 118.68 103.00 2kcp s LEU 19 Ca -0.07 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 54.70 2kcp s LEU 19 Cb 0.26 0.45 0.21 0.00 -0.43 0.00 0.00 46.19 46.69 2kcp s LEU 19 CO 0.82 -0.31 0.63 0.00 -0.29 0.00 0.00 176.35 177.20 2kcp n ALA 20 N 5.32 3.75 0.00 5.97 0.00 -1.26 -4.87 120.51 129.43 2kcp n ALA 20 Ca -0.05 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.76 2kcp n ALA 20 Cb 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2kcp n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kcp n SER 21 N 1.36 0.00 -4.73 0.00 2.88 -1.26 -4.92 113.62 106.95 2kcp n SER 21 Ca 0.25 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.42 2kcp n SER 21 Cb 0.39 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.79 2kcp n SER 21 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kcp s ASP 22 N 0.00 6.69 -0.35 -3.46 -4.77 -1.26 -5.06 116.67 108.45 2kcp s ASP 22 Ca 0.00 0.82 -0.15 0.00 -3.30 0.00 0.00 52.55 49.92 2kcp s ASP 22 Cb 0.00 -2.28 -0.01 0.00 -1.09 0.00 0.00 42.92 39.54 2kcp s ASP 22 CO 0.00 0.03 0.33 0.42 0.70 0.00 0.00 175.17 176.65 2kcp s THR 23 N 0.47 5.20 -0.20 2.11 -4.23 -1.26 -4.75 115.64 112.99 2kcp s THR 23 Ca 0.25 -0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2kcp s THR 23 Cb -0.15 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.89 2kcp s THR 23 CO 0.10 -0.11 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.77 2kcp s ARG 24 N 1.92 2.95 -0.03 3.99 1.81 -1.26 -2.27 118.95 126.05 2kcp s ARG 24 Ca 0.10 -0.87 0.04 0.00 -1.72 0.00 0.00 55.73 53.28 2kcp s ARG 24 Cb -0.17 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.65 2kcp s ARG 24 CO 0.11 -0.25 -0.17 -1.50 -0.68 0.00 0.00 175.30 172.81 2kcp s ILE 25 N 1.29 1.37 -0.52 1.52 2.07 -0.62 -4.40 121.20 121.92 2kcp s ILE 25 Ca 0.03 -0.70 -0.27 0.00 -1.41 0.00 0.00 60.65 58.30 2kcp s ILE 25 Cb -0.14 -1.17 -0.02 0.00 0.13 0.00 0.00 42.46 41.26 2kcp s ILE 25 CO -0.11 0.39 1.78 0.20 -1.91 0.00 0.00 174.94 175.29 2kcp s ASN 26 N -0.05 5.59 -0.34 4.50 0.01 0.77 -0.91 114.94 124.51 2kcp s ASN 26 Ca -0.01 0.63 -0.17 0.00 -0.71 0.00 0.00 52.86 52.60 2kcp s ASN 26 Cb -0.10 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 2kcp s ASN 26 CO 0.01 -2.07 0.45 -0.69 -1.51 0.00 0.00 177.10 173.29 2kcp s VAL 27 N 7.97 5.08 -0.21 1.60 1.01 0.86 -0.52 120.40 136.19 2kcp s VAL 27 Ca 0.69 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2kcp s VAL 27 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2kcp s VAL 27 CO 0.25 -0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.63 2kcp s VAL 28 N 2.23 4.94 -0.20 2.92 1.01 0.04 -1.06 120.40 130.29 2kcp s VAL 28 Ca 0.16 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2kcp s VAL 28 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2kcp s VAL 28 CO 0.12 0.40 0.89 -0.62 0.00 0.00 0.00 175.10 175.89 2kcp s ASP 29 N 0.80 6.97 0.28 3.32 -1.08 0.26 -0.52 116.67 126.71 2kcp s ASP 29 Ca 0.05 1.20 0.07 0.00 -0.52 0.00 0.00 52.55 53.35 2kcp s ASP 29 Cb -0.13 -2.47 0.42 0.00 -1.46 0.00 0.00 42.92 39.27 2kcp s ASP 29 CO 0.02 -0.50 1.67 1.55 0.52 0.00 0.00 175.17 178.43 2kcp h PRO 30 N 7.45 0.20 0.09 4.34 0.13 -1.91 -1.15 132.00 141.15 2kcp h PRO 30 Ca -0.25 -0.11 -0.32 0.00 -0.87 0.00 0.00 66.00 64.46 2kcp h PRO 30 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2kcp h PRO 30 CO 0.88 0.63 -1.71 0.93 -0.23 0.00 0.00 178.00 178.50 2kcp h GLU 31 N 0.16 0.19 0.01 0.86 4.39 -1.92 -3.41 114.58 114.85 2kcp h GLU 31 Ca 0.01 -0.32 -0.36 0.00 0.34 0.00 0.00 59.36 59.03 2kcp h GLU 31 Cb 0.90 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.60 2kcp h GLU 31 CO 0.07 1.15 -2.24 0.25 -1.16 0.00 0.00 179.01 177.08 2kcp n THR 32 N -3.82 1.47 -1.09 1.13 -2.24 -1.26 -5.03 114.28 103.44 2kcp n THR 32 Ca -0.31 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2kcp n THR 32 Cb 0.92 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.79 1.09 3.80 3.38 0.00 -0.43 -5.04 105.19 109.77 2kcp n GLY 33 Ca -0.31 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.62 4.18 -0.36 1.61 -2.85 -1.25 -4.81 119.74 113.63 2kcp s LYS 34 Ca 0.00 0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 55.60 2kcp s LYS 34 Cb 0.00 -3.28 0.09 0.00 -2.06 0.00 0.00 37.83 32.58 2kcp s LYS 34 CO 0.00 0.54 0.11 0.08 0.10 0.00 0.00 175.35 176.18 2kcp s VAL 35 N -0.72 2.97 -0.00 1.79 1.01 -1.26 -0.57 120.40 123.61 2kcp s VAL 35 Ca 0.28 -1.94 0.03 0.00 0.00 0.00 0.00 61.98 60.36 2kcp s VAL 35 Cb -0.18 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2kcp s VAL 35 CO 0.17 -0.51 -0.11 -0.70 0.00 0.00 0.00 175.10 173.95 2kcp s GLU 36 N 1.12 0.87 -0.23 2.72 2.56 -0.22 -4.94 118.70 120.58 2kcp s GLU 36 Ca 0.05 -0.42 -0.23 0.00 0.00 0.00 0.00 54.97 54.37 2kcp s GLU 36 Cb -0.21 -0.84 -0.01 0.00 2.00 0.00 0.00 34.13 35.07 2kcp s GLU 36 CO -0.04 0.23 0.76 0.42 -0.56 0.00 0.00 175.26 176.06 2kcp s ILE 37 N -0.32 4.90 0.16 -3.70 1.01 -1.26 -0.10 121.20 121.90 2kcp s ILE 37 Ca 0.04 1.43 0.09 0.00 0.00 0.00 0.00 60.65 62.21 2kcp s ILE 37 Cb -0.05 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2kcp s ILE 37 CO -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 174.94 174.77 2kcp s ALA 38 N 2.53 2.77 -0.02 9.38 0.00 -0.09 -4.86 121.76 131.48 2kcp s ALA 38 Ca 0.33 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.56 2kcp s ALA 38 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2kcp s ALA 38 CO 0.09 0.50 0.83 -1.21 0.00 0.00 0.00 175.76 175.97 2kcp s GLU 39 N -2.56 4.51 -0.36 0.00 8.01 -1.25 -1.58 118.70 125.47 2kcp s GLU 39 Ca 0.22 1.15 -0.22 0.00 0.01 0.00 0.00 54.97 56.12 2kcp s GLU 39 Cb -0.09 -3.44 0.01 0.00 -4.31 0.00 0.00 34.13 26.30 2kcp s GLU 39 CO 0.12 0.05 0.75 0.42 0.01 0.00 0.00 175.26 176.61 2kcp s ILE 40 N 0.74 4.77 -0.15 -1.63 1.01 -0.96 -1.62 121.20 123.36 2kcp s ILE 40 Ca 0.44 0.80 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 2kcp s ILE 40 Cb -0.20 -4.18 -0.15 0.00 0.01 0.00 0.00 42.46 37.94 2kcp s ILE 40 CO 0.23 -0.41 0.34 0.03 0.00 0.00 0.00 174.94 175.14 2kcp h ARG 41 N 8.48 0.00 -5.77 2.79 3.08 -1.06 -3.44 114.38 118.46 2kcp h ARG 41 Ca -0.25 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.16 2kcp h ARG 41 Cb 1.10 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.84 2kcp h ARG 41 CO 0.89 0.63 -0.87 -0.80 -1.07 0.00 0.00 179.97 178.76 2kcp s ASN 42 N -6.14 2.70 -0.37 7.04 0.01 -0.77 -4.98 114.94 112.43 2kcp s ASN 42 Ca -0.16 -0.45 0.06 0.00 -0.71 0.00 0.00 52.86 51.61 2kcp s ASN 42 Cb 0.00 -0.71 0.54 0.00 0.41 0.00 0.00 41.25 41.50 2kcp s ASN 42 CO 0.44 0.21 1.62 1.33 -1.51 0.00 0.00 177.10 179.20 2kcp n VAL 43 N 2.98 2.83 -3.83 1.60 0.24 -1.26 0.79 118.33 121.67 2kcp n VAL 43 Ca -0.17 -2.65 -0.37 0.00 -2.04 0.00 0.00 64.34 59.11 2kcp n VAL 43 Cb 0.52 -0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.49 5.47 0.65 3.34 0.11 -1.25 -4.76 120.40 120.48 2kcp s VAL 44 Ca 0.50 0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.69 2kcp s VAL 44 Cb 0.44 -3.43 -0.00 0.00 -1.53 0.00 0.00 36.38 31.86 2kcp s VAL 44 CO 0.03 0.58 1.03 -1.61 -3.33 0.00 0.00 175.10 171.80 2kcp s GLU 45 N -0.77 3.09 -1.10 1.54 0.41 -1.26 -4.71 118.70 115.89 2kcp s GLU 45 Ca 0.14 0.44 -0.23 0.00 -0.41 0.00 0.00 54.97 54.91 2kcp s GLU 45 Cb -0.12 -2.10 -0.07 0.00 -1.78 0.00 0.00 34.13 30.07 2kcp s GLU 45 CO 0.03 -0.82 1.92 -0.80 -0.49 0.00 0.00 175.26 175.10 2kcp s ASN 46 N -4.29 5.17 0.39 -0.19 -0.87 -1.26 -4.88 114.94 109.01 2kcp s ASN 46 Ca 0.56 -1.40 0.07 0.00 -1.57 0.00 0.00 52.86 50.53 2kcp s ASN 46 Cb -0.11 -2.58 -0.08 0.00 -0.02 0.00 0.00 41.25 38.47 2kcp s ASN 46 CO 0.51 -2.86 -0.01 0.42 -2.57 0.00 0.00 177.10 172.58 2kcp s THR 47 N 10.32 2.03 -0.62 1.60 -4.23 -1.26 -5.07 115.64 118.42 2kcp s THR 47 Ca 0.68 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2kcp s THR 47 Cb -0.02 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 2kcp s THR 47 CO 0.08 -0.04 1.98 0.00 -0.54 0.00 0.00 174.62 176.10 2kcp s ALA 48 N -2.70 1.99 -0.24 3.99 0.00 -1.26 -4.14 121.76 119.40 2kcp s ALA 48 Ca 0.34 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2kcp s ALA 48 Cb 0.08 -4.34 0.02 0.00 0.00 0.00 0.00 23.12 18.88 2kcp s ALA 48 CO 0.18 -4.12 0.08 0.09 0.00 0.00 0.00 175.76 171.98 2kcp n ASN 49 N 13.58 -4.92 -4.54 0.00 3.02 -1.26 -4.83 115.26 116.30 2kcp n ASN 49 Ca 0.26 1.26 -0.50 0.00 -0.03 0.00 0.00 54.58 55.56 2kcp n ASN 49 Cb 0.52 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.77 2kcp n ASN 49 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kcp n PRO 50 N 0.95 1.45 -4.08 3.52 -0.02 -1.26 -4.96 135.00 130.59 2kcp n PRO 50 Ca -0.14 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.71 2kcp n PRO 50 Cb 0.21 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.02 2kcp n PRO 50 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2kcp s HIS 51 N 6.40 0.61 -1.74 6.00 3.76 -1.26 -5.03 115.29 124.03 2kcp s HIS 51 Ca 1.04 -1.07 0.17 0.00 -0.15 0.00 0.00 55.06 55.04 2kcp s HIS 51 Cb -0.77 -0.37 0.95 0.00 1.11 0.00 0.00 32.58 33.50 2kcp s HIS 51 CO 0.49 -0.47 1.46 0.34 -0.85 0.00 0.00 174.74 175.71 2kcp n PHE 52 N -0.01 0.00 0.00 1.40 7.35 -1.26 -3.52 117.46 121.43 2kcp n PHE 52 Ca -0.10 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.76 2kcp n PHE 52 Cb 0.62 -0.13 0.64 0.00 0.35 0.00 0.00 39.48 40.97 2kcp n PHE 52 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2kcp h VAL 53 N 0.00 0.79 -2.17 -2.13 3.04 -1.97 -3.42 116.25 110.39 2kcp h VAL 53 Ca 0.00 -0.03 -0.50 0.00 -1.01 0.00 0.00 66.70 65.16 2kcp h VAL 53 Cb 0.07 0.69 -0.04 0.00 -2.01 0.00 0.00 31.29 30.00 2kcp h VAL 53 CO 0.00 0.02 -0.51 -0.60 -1.01 0.00 0.00 177.57 175.47 2kcp s ARG 54 N -5.10 2.96 -0.49 4.17 6.06 -1.23 -5.06 118.95 120.26 2kcp s ARG 54 Ca -0.06 -1.04 -0.28 0.00 -2.50 0.00 0.00 55.73 51.85 2kcp s ARG 54 Cb 0.19 -2.59 0.01 0.00 0.06 0.00 0.00 34.95 32.62 2kcp s ARG 54 CO 0.73 0.38 1.50 1.03 -2.50 0.00 0.00 175.30 176.44 2kcp s ARG 55 N -3.87 3.33 -1.18 5.12 1.81 -1.26 -4.91 118.95 118.00 2kcp s ARG 55 Ca 0.34 0.74 -0.08 0.00 -1.72 0.00 0.00 55.73 55.00 2kcp s ARG 55 Cb -0.08 -4.12 -0.07 0.00 -0.45 0.00 0.00 34.95 30.23 2kcp s ARG 55 CO 0.25 -1.88 2.41 0.27 -0.68 0.00 0.00 175.30 175.67 2kcp n ASN 56 N 9.71 6.20 -4.81 0.23 6.94 -1.26 -4.92 115.26 127.34 2kcp n ASN 56 Ca 0.16 -2.43 -0.38 0.00 -0.02 0.00 0.00 54.58 51.91 2kcp n ASN 56 Cb 0.49 -1.28 -0.06 0.00 -2.36 0.00 0.00 39.78 36.57 2kcp n ASN 56 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2kcp s ILE 57 N 3.02 5.13 -0.61 1.53 1.10 -1.26 -5.00 121.20 125.11 2kcp s ILE 57 Ca 0.51 0.76 -0.24 0.00 -0.51 0.00 0.00 60.65 61.18 2kcp s ILE 57 Cb 0.13 -3.69 0.05 0.00 0.15 0.00 0.00 42.46 39.10 2kcp s ILE 57 CO -0.04 0.52 0.98 -0.63 -2.11 0.00 0.00 174.94 173.66 2kcp s ILE 58 N -0.64 4.31 0.12 2.00 1.01 -1.26 -4.97 121.20 121.76 2kcp s ILE 58 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.94 2kcp s ILE 58 Cb -0.16 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 2kcp s ILE 58 CO 0.11 -1.31 -0.07 0.42 0.00 0.00 0.00 174.94 174.09 2kcp s THR 59 N 4.14 0.82 -0.13 2.92 -4.23 -1.26 -4.76 115.64 113.14 2kcp s THR 59 Ca 0.28 -1.97 -0.35 0.00 -1.18 0.00 0.00 61.69 58.46 2kcp s THR 59 Cb -0.14 -1.76 -0.12 0.00 1.34 0.00 0.00 72.50 71.81 2kcp s THR 59 CO 0.15 -0.81 1.87 -1.14 -0.54 0.00 0.00 174.62 174.16 2kcp n ARG 60 N -0.10 1.98 0.00 3.99 0.63 -1.26 -1.31 116.66 120.59 2kcp n ARG 60 Ca -0.11 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2kcp n ARG 60 Cb 0.61 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.96 2kcp n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcp n GLY 61 N 4.45 2.48 3.83 5.14 0.00 0.12 -5.00 105.19 116.20 2kcp n GLY 61 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 3.01 -0.32 4.61 0.00 -0.42 -4.79 121.76 121.63 2kcp s ALA 62 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 2kcp s ALA 62 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2kcp s ALA 62 CO 0.00 -0.29 0.13 0.08 0.00 0.00 0.00 175.76 175.69 2kcp s VAL 63 N -2.53 4.33 -0.28 0.00 1.01 -1.26 -0.61 120.40 121.06 2kcp s VAL 63 Ca 0.60 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2kcp s VAL 63 Cb -0.11 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2kcp s VAL 63 CO 0.30 0.01 0.14 0.68 0.00 0.00 0.00 175.10 176.23 2kcp s VAL 64 N 1.55 4.77 -0.49 2.92 -7.23 0.11 -3.77 120.40 118.26 2kcp s VAL 64 Ca 0.03 -0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 2kcp s VAL 64 Cb -0.18 -3.30 0.02 0.00 0.56 0.00 0.00 36.38 33.48 2kcp s VAL 64 CO 0.05 0.23 1.28 -0.70 -0.31 0.00 0.00 175.10 175.65 2kcp s GLU 65 N 1.67 3.57 0.42 4.82 2.12 0.24 -0.42 118.70 131.11 2kcp s GLU 65 Ca 0.06 0.62 0.08 0.00 0.36 0.00 0.00 54.97 56.09 2kcp s GLU 65 Cb -0.16 -4.00 -0.00 0.00 0.26 0.00 0.00 34.13 30.23 2kcp s GLU 65 CO 0.07 -1.58 0.48 0.95 -0.54 0.00 0.00 175.26 174.64 2kcp s THR 66 N 5.13 2.89 0.66 -1.70 -4.23 0.04 -0.41 115.64 118.02 2kcp s THR 66 Ca 0.52 -1.15 0.41 0.00 -1.18 0.00 0.00 61.69 60.29 2kcp s THR 66 Cb -0.10 -3.01 0.42 0.00 1.34 0.00 0.00 72.50 71.15 2kcp s THR 66 CO 0.30 -0.01 2.29 -0.55 -0.54 0.00 0.00 174.62 176.12 2kcp h ASN 67 N 0.82 0.00 0.76 3.99 -0.00 -1.67 -0.42 115.58 119.06 2kcp h ASN 67 Ca -0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 55.74 2kcp h ASN 67 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.57 2kcp h ASN 67 CO 0.51 0.00 -1.34 -0.07 -0.00 0.00 0.00 177.43 176.53 2kcp h LEU 68 N 0.00 0.00 0.00 6.14 3.38 -1.95 -3.51 115.31 119.37 2kcp h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kcp h LEU 68 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kcp h LEU 68 CO -0.00 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2kcp n GLY 69 N 1.37 -0.35 3.66 0.83 0.00 -0.17 -5.09 105.19 105.44 2kcp n GLY 69 Ca -0.08 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.36 6.82 -0.10 1.61 -0.87 -1.26 -0.78 114.94 119.01 2kcp s ASN 70 Ca 0.00 1.81 0.01 0.00 -1.57 0.00 0.00 52.86 53.10 2kcp s ASN 70 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.67 2kcp s ASN 70 CO 0.00 -0.85 -0.11 -0.69 -2.57 0.00 0.00 177.10 172.88 2kcp s VAL 71 N 3.78 3.32 -0.16 1.60 1.01 0.44 -1.21 120.40 129.18 2kcp s VAL 71 Ca 0.61 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2kcp s VAL 71 Cb -0.25 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2kcp s VAL 71 CO 0.20 0.56 0.49 -0.60 0.00 0.00 0.00 175.10 175.75 2kcp s ARG 72 N -0.22 4.26 -0.58 2.72 3.52 0.84 0.05 118.95 129.53 2kcp s ARG 72 Ca 0.02 0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 55.77 2kcp s ARG 72 Cb -0.13 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2kcp s ARG 72 CO 0.03 -0.00 1.90 0.08 -0.81 0.00 0.00 175.30 176.50 2kcp s VAL 73 N 1.15 3.33 -0.12 7.11 1.01 0.22 -1.15 120.40 131.96 2kcp s VAL 73 Ca 0.25 0.20 0.17 0.00 0.00 0.00 0.00 61.98 62.60 2kcp s VAL 73 Cb -0.15 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 2kcp s VAL 73 CO 0.10 -0.80 0.21 0.35 0.00 0.00 0.00 175.10 174.95 2kcp n THR 74 N 7.29 0.74 -3.06 3.92 -2.24 -1.23 0.11 114.28 119.82 2kcp n THR 74 Ca 0.22 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 2kcp n THR 74 Cb 0.52 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.47 1.64 -4.73 3.42 2.88 -1.10 -4.92 113.62 108.34 2kcp n SER 75 Ca -0.19 -2.19 -0.35 0.00 -1.33 0.00 0.00 58.87 54.81 2kcp n SER 75 Cb 0.86 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 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 -4.01 4.18 -1.04 -1.46 0.52 -1.26 -4.43 118.95 111.45 2kcp s ARG 76 Ca 0.46 -0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.20 2kcp s ARG 76 Cb -0.04 -3.41 -0.16 0.00 0.52 0.00 0.00 34.95 31.86 2kcp s ARG 76 CO 0.29 0.31 2.10 -2.14 0.02 0.00 0.00 175.30 175.88 2kcp s PRO 77 N 0.33 1.73 0.00 3.54 0.02 -1.26 -2.20 135.00 137.16 2kcp s PRO 77 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.65 2kcp s PRO 77 Cb -0.11 -5.02 0.00 0.00 0.02 0.00 0.00 34.50 29.39 2kcp s PRO 77 CO -0.02 -4.72 0.00 0.41 -0.33 0.00 0.00 177.00 172.34 2kcp n GLY 78 N 6.25 0.02 3.56 0.52 0.00 -1.15 -5.00 105.19 109.39 2kcp n GLY 78 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcp n GLN 79 N 0.00 1.32 -1.80 1.61 1.13 -0.93 -1.24 117.38 117.47 2kcp n GLN 79 Ca 0.00 0.18 -0.19 0.00 -1.94 0.00 0.00 57.00 55.05 2kcp n GLN 79 Cb 0.00 -3.31 -0.06 0.00 0.11 0.00 0.00 30.24 26.98 2kcp n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kcp n ASP 80 N 14.27 -5.35 0.00 1.08 2.03 -1.26 -1.84 116.55 125.48 2kcp n ASP 80 Ca 0.36 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2kcp n ASP 80 Cb 0.49 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.41 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 -0.75 3.01 3.97 0.27 0.00 -0.38 -5.03 105.19 106.28 2kcp n GLY 81 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.92 3.85 -0.07 1.61 0.11 -0.77 -4.56 120.40 118.66 2kcp s VAL 82 Ca 0.00 -0.74 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 2kcp s VAL 82 Cb 0.00 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 31.45 2kcp s VAL 82 CO 0.00 -0.21 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.74 2kcp s ILE 83 N -2.41 2.63 -0.01 7.04 1.01 -1.26 -2.73 121.20 125.46 2kcp s ILE 83 Ca 0.48 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.33 2kcp s ILE 83 Cb -0.10 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2kcp s ILE 83 CO 0.35 0.57 -0.18 0.20 0.00 0.00 0.00 174.94 175.88 2kcp s ASN 84 N -0.31 3.77 0.30 3.58 -0.87 -1.26 -0.16 114.94 119.99 2kcp s ASN 84 Ca 0.02 -0.33 -0.10 0.00 -1.57 0.00 0.00 52.86 50.89 2kcp s ASN 84 Cb -0.13 -0.67 0.01 0.00 -0.02 0.00 0.00 41.25 40.44 2kcp s ASN 84 CO 0.02 0.31 0.52 -0.83 -2.57 0.00 0.00 177.10 174.55 2kcp s GLY 85 N -0.96 0.85 -0.08 0.66 0.00 0.32 -2.70 107.32 105.41 2kcp s GLY 85 Ca 0.12 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.80 2kcp s GLY 85 CO 0.02 -0.72 -0.24 0.14 0.00 0.00 0.00 173.10 172.30 2kcp s VAL 86 N -3.44 2.01 -0.48 1.40 1.01 -0.30 -0.78 120.40 119.82 2kcp s VAL 86 Ca 0.24 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 2kcp s VAL 86 Cb -0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2kcp s VAL 86 CO 0.13 0.55 1.66 -0.22 0.00 0.00 0.00 175.10 177.23 2kcp s LEU 87 N 0.14 3.43 0.45 3.92 2.96 0.32 -0.11 118.68 129.78 2kcp s LEU 87 Ca -0.12 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2kcp s LEU 87 Cb -0.16 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2kcp s LEU 87 CO 0.06 -1.87 0.48 0.27 -1.32 0.00 0.00 176.35 173.98 2kcp s ILE 88 N 7.11 2.55 0.00 6.68 -4.36 -0.35 -4.27 121.20 128.57 2kcp s ILE 88 Ca 0.66 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 2kcp s ILE 88 Cb -0.15 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.77 2kcp s ILE 88 CO 0.27 0.00 0.78 0.54 0.24 0.00 0.00 174.94 176.78 2kcp n ARG 89 N -1.74 0.00 0.15 0.37 3.00 -1.26 -4.52 116.66 112.66 2kcp n ARG 89 Ca 0.06 -0.76 0.13 0.00 -0.01 0.00 0.00 57.85 57.27 2kcp n ARG 89 Cb 0.61 -0.46 0.48 0.00 0.00 0.00 0.00 32.46 33.08 2kcp n ARG 89 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2kcp h GLU 90 N 0.00 0.00 0.00 5.56 3.07 -1.97 -3.46 114.58 117.78 2kcp h GLU 90 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 2kcp h GLU 90 Cb 1.24 0.00 0.13 0.00 -0.84 0.00 0.00 28.75 29.28 2kcp h GLU 90 CO 0.00 0.00 -0.08 1.47 -1.40 0.00 0.00 179.01 179.00 2kcp n LEU 91 N -2.41 0.00 -4.39 1.33 -0.00 -1.26 -4.76 117.00 105.51 2kcp n LEU 91 Ca 0.03 -0.57 -0.52 0.00 -0.00 0.00 0.00 56.01 54.95 2kcp n LEU 91 Cb 0.31 -0.61 -0.10 0.00 -0.00 0.00 0.00 43.42 43.02 2kcp n LEU 91 CO 0.25 -2.23 1.85 1.21 -0.00 0.00 0.00 177.39 178.46 2kcp n GLU 92 N -4.23 0.54 -2.95 1.47 2.13 -1.26 -4.89 120.64 111.44 2kcp n GLU 92 Ca 0.09 0.13 -0.41 0.00 0.66 0.00 0.00 57.16 57.63 2kcp n GLU 92 Cb 0.37 -2.04 -0.04 0.00 0.27 0.00 0.00 31.44 29.99 2kcp n GLU 92 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kcp s HIS 93 N 7.35 3.54 -1.22 4.31 3.76 -1.26 -4.99 115.29 126.78 2kcp s HIS 93 Ca 1.16 1.31 -0.13 0.00 -0.15 0.00 0.00 55.06 57.26 2kcp s HIS 93 Cb -1.10 -2.91 0.17 0.00 1.11 0.00 0.00 32.58 29.85 2kcp s HIS 93 CO 0.54 -0.03 1.51 1.58 -0.85 0.00 0.00 174.74 177.50 2kcp n HIS 94 N 4.24 4.60 0.00 1.40 -0.00 -1.26 -4.64 115.22 119.56 2kcp n HIS 94 Ca 0.02 -3.26 0.00 0.00 0.46 0.00 0.00 57.72 54.93 2kcp n HIS 94 Cb 0.51 -2.14 0.00 0.00 -0.12 0.00 0.00 29.99 28.24 2kcp n HIS 94 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcp n HIS 95 N 5.26 0.00 -1.70 1.57 -0.00 -1.26 -4.91 115.22 114.18 2kcp n HIS 95 Ca 0.37 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 58.14 2kcp n HIS 95 Cb 0.41 -0.18 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 2kcp n HIS 95 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcp s HIS 96 N -0.27 1.30 -0.24 1.57 5.04 -1.26 -4.80 115.29 116.63 2kcp s HIS 96 Ca 0.00 0.78 -0.03 0.00 -1.54 0.00 0.00 55.06 54.27 2kcp s HIS 96 Cb 0.00 -3.91 -0.14 0.00 0.04 0.00 0.00 32.58 28.58 2kcp s HIS 96 CO 0.00 -3.45 -0.25 0.72 -2.34 0.00 0.00 174.74 169.42 2kcp n HIS 97 N 12.32 0.00 -0.48 3.88 8.25 -1.26 -4.98 115.22 132.94 2kcp n HIS 97 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2kcp n HIS 97 Cb 0.48 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.69 2kcp n HIS 97 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56