#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ck2 n SER 2 N 0.00 -4.28 -3.04 4.52 3.41 -1.26 -4.96 113.62 108.01 2ck2 n SER 2 Ca 0.00 1.32 -0.25 0.00 -0.26 0.00 0.00 58.87 59.68 2ck2 n SER 2 Cb 0.00 -3.16 -0.04 0.00 -0.26 0.00 0.00 64.21 60.75 2ck2 n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ck2 n ASP 3 N 2.01 3.58 -4.92 4.04 8.00 -1.26 -5.05 116.55 122.95 2ck2 n ASP 3 Ca -0.05 -3.51 -0.27 0.00 0.71 0.00 0.00 54.79 51.67 2ck2 n ASP 3 Cb 0.08 -0.58 0.04 0.00 -0.02 0.00 0.00 41.12 40.64 2ck2 n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ck2 s VAL 4 N -3.82 3.20 0.52 2.53 1.01 -1.26 -4.75 120.40 117.84 2ck2 s VAL 4 Ca 0.46 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 2ck2 s VAL 4 Cb 0.28 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2ck2 s VAL 4 CO -0.12 -0.34 1.26 -2.65 0.00 0.00 0.00 175.10 173.26 2ck2 n PRO 5 N -2.74 1.60 -4.04 2.72 -0.02 -1.26 -4.34 135.00 126.92 2ck2 n PRO 5 Ca 0.06 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 2ck2 n PRO 5 Cb 0.58 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 2ck2 n PRO 5 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ck2 s ARG 6 N -2.69 3.01 -1.10 -0.52 0.52 0.12 -4.70 118.95 113.59 2ck2 s ARG 6 Ca 0.70 -0.76 -0.22 0.00 -0.52 0.00 0.00 55.73 54.93 2ck2 s ARG 6 Cb -0.44 -2.74 0.01 0.00 0.52 0.00 0.00 34.95 32.30 2ck2 s ARG 6 CO 0.51 0.52 0.73 -0.25 0.02 0.00 0.00 175.30 176.83 2ck2 n ASP 7 N -0.13 -5.03 -4.72 0.23 9.92 -1.26 -0.18 116.55 115.38 2ck2 n ASP 7 Ca -0.08 -1.06 -0.42 0.00 -0.53 0.00 0.00 54.79 52.71 2ck2 n ASP 7 Cb 0.54 -2.69 -0.03 0.00 -0.64 0.00 0.00 41.12 38.29 2ck2 n ASP 7 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ck2 s ILE 8 N -3.40 3.33 0.01 0.53 -1.09 -1.26 -4.14 121.20 115.19 2ck2 s ILE 8 Ca 0.40 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 59.81 2ck2 s ILE 8 Cb -0.17 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 2ck2 s ILE 8 CO 0.90 0.09 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.96 2ck2 s GLU 9 N 0.83 0.33 -0.60 2.79 2.12 0.66 -4.98 118.70 119.85 2ck2 s GLU 9 Ca 0.62 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 55.47 2ck2 s GLU 9 Cb -0.36 -0.24 0.08 0.00 0.26 0.00 0.00 34.13 33.86 2ck2 s GLU 9 CO 0.32 0.06 0.82 0.08 -0.54 0.00 0.00 175.26 176.00 2ck2 s VAL 10 N -0.43 4.59 -0.06 3.70 1.01 -1.26 -0.99 120.40 126.96 2ck2 s VAL 10 Ca -0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 2ck2 s VAL 10 Cb -0.04 -4.55 -0.20 0.00 0.00 0.00 0.00 36.38 31.60 2ck2 s VAL 10 CO -0.00 -1.21 1.00 0.58 0.00 0.00 0.00 175.10 175.47 2ck2 h VAL 11 N 5.94 1.28 -3.50 2.92 2.07 -1.04 -3.48 116.25 120.43 2ck2 h VAL 11 Ca -0.29 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 2ck2 h VAL 11 Cb 1.08 2.16 -0.14 0.00 -1.52 0.00 0.00 31.29 32.87 2ck2 h VAL 11 CO 1.11 0.34 -0.20 0.00 0.02 0.00 0.00 177.57 178.84 2ck2 s ALA 12 N -3.59 -0.66 -0.01 1.67 0.00 -1.18 -4.99 121.76 113.01 2ck2 s ALA 12 Ca -0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 2ck2 s ALA 12 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2ck2 s ALA 12 CO 0.60 -0.55 0.12 0.08 0.00 0.00 0.00 175.76 176.00 2ck2 s VAL 13 N -3.58 0.07 0.22 0.00 1.01 -1.26 -0.78 120.40 116.07 2ck2 s VAL 13 Ca 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2ck2 s VAL 13 Cb 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2ck2 s VAL 13 CO -0.10 -0.30 0.07 0.35 0.00 0.00 0.00 175.10 175.12 2ck2 n THR 14 N 1.86 0.00 0.18 3.92 -2.24 -0.51 -4.78 114.28 112.72 2ck2 n THR 14 Ca -0.20 -1.23 0.03 0.00 -2.27 0.00 0.00 64.05 60.37 2ck2 n THR 14 Cb 0.56 0.42 0.39 0.00 -2.10 0.00 0.00 70.33 69.60 2ck2 n THR 14 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2ck2 h PRO 15 N 0.00 0.05 -0.06 -0.78 0.11 -1.91 -1.72 132.00 127.69 2ck2 h PRO 15 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2ck2 h PRO 15 Cb 0.63 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2ck2 h PRO 15 CO 0.27 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 2ck2 n THR 16 N -4.18 1.09 -3.89 -1.15 -2.24 -1.26 -2.36 114.28 100.30 2ck2 n THR 16 Ca -0.02 -1.12 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 2ck2 n THR 16 Cb 0.35 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 2ck2 n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ck2 s SER 17 N -1.17 0.05 -0.24 3.42 1.04 -1.24 -2.27 113.70 113.30 2ck2 s SER 17 Ca 0.07 -1.02 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 2ck2 s SER 17 Cb 0.05 0.76 0.07 0.00 0.10 0.00 0.00 66.02 67.00 2ck2 s SER 17 CO 0.03 -1.47 0.58 0.00 0.98 0.00 0.00 173.24 173.36 2ck2 s ALA 18 N -3.08 -1.55 -0.31 5.32 0.00 -0.07 -1.42 121.76 120.65 2ck2 s ALA 18 Ca 0.17 2.05 -0.18 0.00 0.00 0.00 0.00 51.96 54.01 2ck2 s ALA 18 Cb -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2ck2 s ALA 18 CO 0.11 -0.33 0.50 -1.17 0.00 0.00 0.00 175.76 174.87 2ck2 s LEU 19 N 1.47 4.19 0.01 0.00 2.96 0.04 -0.39 118.68 126.95 2ck2 s LEU 19 Ca -0.09 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 2ck2 s LEU 19 Cb -0.06 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2ck2 s LEU 19 CO -0.16 -0.37 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.79 2ck2 s ILE 20 N 2.33 3.54 0.16 6.68 -1.09 -0.24 -0.35 121.20 132.23 2ck2 s ILE 20 Ca 0.19 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 2ck2 s ILE 20 Cb -0.16 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2ck2 s ILE 20 CO 0.11 0.39 0.02 -0.94 -1.23 0.00 0.00 174.94 173.29 2ck2 s SER 21 N -1.42 0.90 0.08 3.58 1.04 -0.16 -1.57 113.70 116.14 2ck2 s SER 21 Ca 0.17 -1.18 -0.27 0.00 0.48 0.00 0.00 55.95 55.14 2ck2 s SER 21 Cb -0.11 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.27 2ck2 s SER 21 CO 0.07 -0.63 1.00 -1.66 0.98 0.00 0.00 173.24 173.01 2ck2 s TRP 22 N -3.80 -0.17 -0.09 5.02 -2.14 -0.59 -0.25 118.94 116.93 2ck2 s TRP 22 Ca 0.24 -0.06 0.01 0.00 2.66 0.00 0.00 56.10 58.94 2ck2 s TRP 22 Cb 0.07 0.60 -0.02 0.00 -3.10 0.00 0.00 33.47 31.01 2ck2 s TRP 22 CO 0.03 -0.66 -0.11 -0.51 -2.66 0.00 0.00 176.95 173.04 2ck2 s ASP 23 N -2.82 4.28 0.56 -2.66 1.01 0.74 -4.71 116.67 113.08 2ck2 s ASP 23 Ca 0.11 -0.18 -0.19 0.00 0.71 0.00 0.00 52.55 52.99 2ck2 s ASP 23 Cb -0.00 -1.28 -0.05 0.00 1.01 0.00 0.00 42.92 42.59 2ck2 s ASP 23 CO -0.01 0.27 1.15 0.00 0.21 0.00 0.00 175.17 176.79 2ck2 s ALA 24 N -0.28 2.66 1.14 5.23 0.00 -1.26 0.14 121.76 129.39 2ck2 s ALA 24 Ca 0.03 0.88 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 2ck2 s ALA 24 Cb -0.13 -3.39 0.19 0.00 0.00 0.00 0.00 23.12 19.80 2ck2 s ALA 24 CO 0.03 -0.87 0.73 -0.35 0.00 0.00 0.00 175.76 175.29 2ck2 n PRO 25 N -1.37 -2.19 -0.07 0.00 -0.04 -1.26 -4.71 135.00 125.36 2ck2 n PRO 25 Ca 0.12 -1.16 -0.12 0.00 -0.04 0.00 0.00 63.50 62.31 2ck2 n PRO 25 Cb 0.51 -1.04 0.02 0.00 -0.04 0.00 0.00 33.50 32.94 2ck2 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ck2 h ALA 26 N -2.40 0.63 -2.40 0.55 0.00 -1.91 -3.44 119.26 110.29 2ck2 h ALA 26 Ca -0.27 -0.47 -0.47 0.00 0.00 0.00 0.00 54.91 53.70 2ck2 h ALA 26 Cb 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2ck2 h ALA 26 CO 0.18 0.67 0.38 0.14 0.00 0.00 0.00 179.25 180.62 2ck2 s VAL 27 N -4.24 3.96 0.31 0.00 -7.23 -1.26 -5.00 120.40 106.94 2ck2 s VAL 27 Ca -0.10 1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 61.24 2ck2 s VAL 27 Cb 0.11 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.22 2ck2 s VAL 27 CO 0.86 -0.03 1.43 -0.89 -0.31 0.00 0.00 175.10 176.16 2ck2 s THR 28 N -1.76 2.46 0.02 5.32 2.01 -1.26 -5.03 115.64 117.40 2ck2 s THR 28 Ca 0.57 0.43 0.08 0.00 0.31 0.00 0.00 61.69 63.08 2ck2 s THR 28 Cb -0.18 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2ck2 s THR 28 CO 0.24 0.09 -0.24 0.27 -0.69 0.00 0.00 174.62 174.29 2ck2 s ILE 29 N -0.65 1.90 0.10 1.82 -4.36 -1.26 -4.74 121.20 114.01 2ck2 s ILE 29 Ca 0.55 -1.17 -0.03 0.00 -0.26 0.00 0.00 60.65 59.74 2ck2 s ILE 29 Cb -0.43 -1.61 -0.25 0.00 1.25 0.00 0.00 42.46 41.43 2ck2 s ILE 29 CO 0.52 0.39 1.21 0.03 0.24 0.00 0.00 174.94 177.33 2ck2 h ARG 30 N 5.14 0.26 -1.85 0.37 3.08 -0.59 -3.42 114.38 117.38 2ck2 h ARG 30 Ca -0.43 -0.39 0.20 0.00 0.07 0.00 0.00 59.98 59.43 2ck2 h ARG 30 Cb 1.14 0.14 -0.16 0.00 0.08 0.00 0.00 29.97 31.17 2ck2 h ARG 30 CO 0.45 1.15 0.67 1.52 -1.07 0.00 0.00 179.97 182.69 2ck2 s TYR 31 N -2.82 -0.21 -0.18 3.04 -0.85 -0.96 -2.97 117.35 112.40 2ck2 s TYR 31 Ca -0.04 0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 56.52 2ck2 s TYR 31 Cb 0.08 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 2ck2 s TYR 31 CO 0.87 -0.39 0.11 0.42 -1.52 0.00 0.00 175.55 175.05 2ck2 s ILE 32 N -2.75 5.24 -0.33 -3.49 -1.09 -0.48 -0.22 121.20 118.09 2ck2 s ILE 32 Ca 0.08 0.13 -0.10 0.00 -2.23 0.00 0.00 60.65 58.53 2ck2 s ILE 32 Cb -0.01 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2ck2 s ILE 32 CO -0.06 0.47 0.17 -0.60 -1.23 0.00 0.00 174.94 173.69 2ck2 s ARG 33 N 0.16 3.23 -0.13 2.79 3.52 0.13 -0.13 118.95 128.53 2ck2 s ARG 33 Ca 0.08 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.88 2ck2 s ARG 33 Cb -0.11 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2ck2 s ARG 33 CO -0.01 -0.48 -0.13 -1.17 -0.81 0.00 0.00 175.30 172.70 2ck2 s LEU 34 N 1.61 2.70 0.16 -0.88 0.20 0.47 -0.82 118.68 122.12 2ck2 s LEU 34 Ca 0.04 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.61 2ck2 s LEU 34 Cb -0.18 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 2ck2 s LEU 34 CO 0.07 0.16 -0.17 0.42 -0.29 0.00 0.00 176.35 176.54 2ck2 s THR 35 N 0.37 1.72 -0.12 3.68 -4.23 0.18 0.81 115.64 118.05 2ck2 s THR 35 Ca -0.11 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.21 2ck2 s THR 35 Cb -0.16 -1.80 0.08 0.00 1.34 0.00 0.00 72.50 71.96 2ck2 s THR 35 CO 0.06 -0.36 0.75 -0.72 -0.54 0.00 0.00 174.62 173.81 2ck2 s TYR 36 N -2.14 -0.64 0.09 3.99 1.13 0.39 -0.55 117.35 119.61 2ck2 s TYR 36 Ca 0.15 1.24 -0.27 0.00 -1.41 0.00 0.00 57.07 56.78 2ck2 s TYR 36 Cb -0.05 0.38 0.08 0.00 -1.10 0.00 0.00 41.96 41.27 2ck2 s TYR 36 CO 0.06 -0.51 1.03 0.20 -2.51 0.00 0.00 175.55 173.82 2ck2 s GLY 37 N -0.78 -0.30 0.22 5.49 0.00 -0.89 -0.88 107.32 110.19 2ck2 s GLY 37 Ca -0.07 0.41 -0.31 0.00 0.00 0.00 0.00 44.72 44.75 2ck2 s GLY 37 CO 0.06 0.09 1.59 -0.54 0.00 0.00 0.00 173.10 174.30 2ck2 s GLU 38 N -3.05 4.18 0.21 2.90 2.02 -1.26 -0.75 118.70 122.95 2ck2 s GLU 38 Ca 0.12 2.47 -0.32 0.00 0.02 0.00 0.00 54.97 57.25 2ck2 s GLU 38 Cb 0.00 -3.09 -0.13 0.00 0.10 0.00 0.00 34.13 31.00 2ck2 s GLU 38 CO -0.01 -0.62 1.53 2.41 0.02 0.00 0.00 175.26 178.60 2ck2 n THR 39 N 3.24 0.45 -1.72 3.63 -1.04 0.25 -0.92 114.28 118.17 2ck2 n THR 39 Ca 0.12 -0.11 -0.19 0.00 -2.04 0.00 0.00 64.05 61.83 2ck2 n THR 39 Cb 0.38 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.22 2ck2 n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ck2 n GLY 40 N 2.87 1.34 3.57 3.41 0.00 -1.26 -4.94 105.19 110.18 2ck2 n GLY 40 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2ck2 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ck2 s GLY 41 N -2.49 1.87 -0.34 -0.02 0.00 -0.10 -4.95 107.32 101.29 2ck2 s GLY 41 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 2ck2 s GLY 41 CO 0.00 1.10 2.39 0.70 0.00 0.00 0.00 173.10 177.29 2ck2 n ASN 42 N 5.50 4.03 -4.18 1.64 5.03 -1.26 -4.77 115.26 121.26 2ck2 n ASN 42 Ca -0.07 -2.20 -0.17 0.00 0.87 0.00 0.00 54.58 53.01 2ck2 n ASN 42 Cb 0.50 -0.98 -0.11 0.00 -1.02 0.00 0.00 39.78 38.16 2ck2 n ASN 42 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2ck2 s SER 43 N 2.65 1.63 -0.10 6.41 0.01 -1.26 -5.11 113.70 117.93 2ck2 s SER 43 Ca 0.43 -0.71 -0.35 0.00 1.31 0.00 0.00 55.95 56.62 2ck2 s SER 43 Cb 0.17 -0.03 -0.13 0.00 0.21 0.00 0.00 66.02 66.24 2ck2 s SER 43 CO -0.01 -0.16 1.81 -0.81 0.41 0.00 0.00 173.24 174.48 2ck2 n PRO 44 N 0.91 1.93 -2.36 12.44 -0.04 -1.26 -4.92 135.00 141.69 2ck2 n PRO 44 Ca -0.18 0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 63.57 2ck2 n PRO 44 Cb 0.56 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 2ck2 n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ck2 s VAL 45 N 3.55 3.40 -0.03 0.52 1.01 -1.26 -4.96 120.40 122.63 2ck2 s VAL 45 Ca 0.92 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 63.90 2ck2 s VAL 45 Cb -0.78 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2ck2 s VAL 45 CO 0.53 0.24 0.83 -1.10 0.00 0.00 0.00 175.10 175.60 2ck2 s GLN 46 N -0.77 4.50 0.07 2.72 -1.52 -0.05 -4.86 119.66 119.74 2ck2 s GLN 46 Ca 0.50 1.13 0.09 0.00 -1.95 0.00 0.00 55.36 55.13 2ck2 s GLN 46 Cb -0.34 -3.45 -0.03 0.00 -0.22 0.00 0.00 33.01 28.97 2ck2 s GLN 46 CO 0.40 0.02 -0.22 -2.00 -0.25 0.00 0.00 175.29 173.24 2ck2 s GLU 47 N 0.87 1.83 -0.10 2.91 -6.30 -1.26 -0.46 118.70 116.18 2ck2 s GLU 47 Ca 0.44 -1.11 -0.04 0.00 -2.50 0.00 0.00 54.97 51.75 2ck2 s GLU 47 Cb -0.19 -2.06 0.05 0.00 0.00 0.00 0.00 34.13 31.93 2ck2 s GLU 47 CO 0.23 0.51 0.22 0.42 0.02 0.00 0.00 175.26 176.66 2ck2 s ILE 48 N -0.94 -0.16 -0.19 -3.70 1.01 0.24 -4.98 121.20 112.48 2ck2 s ILE 48 Ca 0.14 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 2ck2 s ILE 48 Cb -0.10 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2ck2 s ILE 48 CO 0.05 0.09 0.30 -0.89 0.00 0.00 0.00 174.94 174.49 2ck2 s THR 49 N 1.67 5.28 0.23 2.92 2.01 -1.26 -0.40 115.64 126.10 2ck2 s THR 49 Ca -0.05 0.52 0.10 0.00 0.31 0.00 0.00 61.69 62.58 2ck2 s THR 49 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2ck2 s THR 49 CO -0.08 0.34 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.31 2ck2 s LEU 50 N 0.85 2.84 0.25 4.42 1.43 0.82 -4.98 118.68 124.31 2ck2 s LEU 50 Ca 0.15 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2ck2 s LEU 50 Cb -0.14 -1.44 -0.12 0.00 0.03 0.00 0.00 46.19 44.53 2ck2 s LEU 50 CO 0.05 0.06 1.66 -2.84 0.23 0.00 0.00 176.35 175.51 2ck2 s PRO 51 N -3.22 4.12 0.64 1.29 0.02 -1.26 -1.38 135.00 135.21 2ck2 s PRO 51 Ca 0.27 2.59 0.26 0.00 0.02 0.00 0.00 61.00 64.15 2ck2 s PRO 51 Cb -0.07 -3.05 1.36 0.00 0.02 0.00 0.00 34.50 32.76 2ck2 s PRO 51 CO 0.16 -0.70 1.77 0.78 -0.33 0.00 0.00 177.00 178.68 2ck2 h GLY 52 N 5.86 0.00 1.87 0.52 0.00 -1.79 0.14 103.07 109.67 2ck2 h GLY 52 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2ck2 h GLY 52 CO 0.88 0.00 -0.05 -1.14 0.00 0.00 0.00 176.54 176.23 2ck2 n SER 53 N -3.10 0.05 -4.76 0.19 3.41 -1.26 -4.81 113.62 103.34 2ck2 n SER 53 Ca 0.03 0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 58.62 2ck2 n SER 53 Cb 0.59 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2ck2 n SER 53 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ck2 s LYS 54 N -2.97 4.55 0.00 4.33 1.02 0.48 -4.94 119.74 122.20 2ck2 s LYS 54 Ca 0.15 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.02 2ck2 s LYS 54 Cb 0.19 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2ck2 s LYS 54 CO 0.54 0.10 0.49 -1.13 -0.92 0.00 0.00 175.35 174.43 2ck2 n SER 55 N 1.03 0.97 -3.92 2.83 3.41 -1.26 -4.90 113.62 111.77 2ck2 n SER 55 Ca -0.01 -1.08 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 2ck2 n SER 55 Cb 0.44 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2ck2 n SER 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ck2 s THR 56 N -0.08 0.14 -0.28 6.66 -4.23 -1.26 -1.55 115.64 115.04 2ck2 s THR 56 Ca 0.00 -1.35 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 2ck2 s THR 56 Cb 0.00 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.43 2ck2 s THR 56 CO 0.00 -0.62 0.79 -0.47 -0.54 0.00 0.00 174.62 173.78 2ck2 s TYR 57 N -3.90 -0.82 -0.34 3.99 5.04 -0.61 -5.01 117.35 115.70 2ck2 s TYR 57 Ca 0.09 1.79 -0.11 0.00 -2.44 0.00 0.00 57.07 56.40 2ck2 s TYR 57 Cb 0.05 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.80 2ck2 s TYR 57 CO -0.08 -0.40 0.18 0.99 -1.34 0.00 0.00 175.55 174.90 2ck2 s THR 58 N 0.98 4.70 -0.01 4.34 2.01 -1.26 -1.08 115.64 125.32 2ck2 s THR 58 Ca -0.05 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 2ck2 s THR 58 Cb -0.05 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2ck2 s THR 58 CO -0.10 -0.04 0.80 -0.63 -0.69 0.00 0.00 174.62 173.95 2ck2 s ILE 59 N 1.61 4.90 0.30 1.82 1.01 0.47 -4.90 121.20 126.42 2ck2 s ILE 59 Ca 0.04 1.67 0.03 0.00 0.00 0.00 0.00 60.65 62.39 2ck2 s ILE 59 Cb -0.18 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2ck2 s ILE 59 CO 0.07 0.26 0.12 -0.94 0.00 0.00 0.00 174.94 174.45 2ck2 s SER 60 N 0.61 1.68 -0.47 3.58 1.04 -1.26 -0.90 113.70 117.97 2ck2 s SER 60 Ca 0.42 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2ck2 s SER 60 Cb -0.19 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2ck2 s SER 60 CO 0.22 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2ck2 n GLY 61 N -0.59 0.21 3.97 7.32 0.00 -1.01 -4.97 105.19 110.12 2ck2 n GLY 61 Ca -0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2ck2 n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ck2 s LEU 62 N -1.53 3.87 0.08 0.99 1.43 -0.96 -5.07 118.68 117.49 2ck2 s LEU 62 Ca 0.00 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 2ck2 s LEU 62 Cb 0.00 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.22 2ck2 s LEU 62 CO 0.00 -0.51 0.50 -0.54 0.23 0.00 0.00 176.35 176.03 2ck2 s LYS 63 N -4.31 3.99 0.73 1.70 1.02 -1.26 -4.44 119.74 117.16 2ck2 s LYS 63 Ca 0.45 0.49 -0.13 0.00 0.02 0.00 0.00 55.97 56.80 2ck2 s LYS 63 Cb -0.10 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2ck2 s LYS 63 CO 0.34 0.58 1.13 -2.14 -0.92 0.00 0.00 175.35 174.33 2ck2 s PRO 64 N -1.54 2.35 -1.43 -1.68 0.02 -1.00 -3.60 135.00 128.12 2ck2 s PRO 64 Ca 0.32 1.42 -0.13 0.00 0.02 0.00 0.00 61.00 62.62 2ck2 s PRO 64 Cb -0.16 -1.89 0.11 0.00 0.02 0.00 0.00 34.50 32.58 2ck2 s PRO 64 CO 0.18 -1.60 0.62 0.41 -0.33 0.00 0.00 177.00 176.27 2ck2 n GLY 65 N -0.45 -0.47 3.41 0.52 0.00 0.14 -4.87 105.19 103.48 2ck2 n GLY 65 Ca 0.11 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2ck2 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ck2 s THR 66 N -3.06 2.54 -0.17 2.61 2.01 -1.24 -4.87 115.64 113.47 2ck2 s THR 66 Ca 0.55 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.11 2ck2 s THR 66 Cb -0.30 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 2ck2 s THR 66 CO 0.68 0.37 0.60 -1.81 -0.69 0.00 0.00 174.62 173.77 2ck2 s ASP 67 N -1.31 6.70 0.11 3.53 -0.00 -1.26 -1.58 116.67 122.86 2ck2 s ASP 67 Ca 0.13 0.85 0.08 0.00 -0.00 0.00 0.00 52.55 53.61 2ck2 s ASP 67 Cb -0.10 -2.34 -0.04 0.00 -0.00 0.00 0.00 42.92 40.44 2ck2 s ASP 67 CO 0.04 -0.20 -0.20 -0.31 -0.00 0.00 0.00 175.17 174.49 2ck2 s TYR 68 N 1.56 1.78 -0.13 4.23 1.51 -0.07 -0.58 117.35 125.65 2ck2 s TYR 68 Ca 0.29 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2ck2 s TYR 68 Cb -0.16 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2ck2 s TYR 68 CO 0.11 0.23 -0.16 0.99 -1.11 0.00 0.00 175.55 175.61 2ck2 s THR 69 N -1.35 2.70 -0.09 -0.71 2.01 0.08 -2.00 115.64 116.27 2ck2 s THR 69 Ca 0.08 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2ck2 s THR 69 Cb -0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2ck2 s THR 69 CO 0.05 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 2ck2 s VAL 70 N 0.52 3.09 -0.04 3.82 1.01 -0.48 -2.08 120.40 126.24 2ck2 s VAL 70 Ca -0.11 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2ck2 s VAL 70 Cb -0.16 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2ck2 s VAL 70 CO 0.04 0.56 -0.10 -0.89 0.00 0.00 0.00 175.10 174.71 2ck2 s THR 71 N -0.19 0.90 0.05 3.92 2.01 0.29 -1.58 115.64 121.03 2ck2 s THR 71 Ca 0.00 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.68 2ck2 s THR 71 Cb -0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2ck2 s THR 71 CO 0.03 0.28 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.26 2ck2 s LEU 72 N 0.30 2.39 -0.01 4.42 1.43 0.11 -0.64 118.68 126.67 2ck2 s LEU 72 Ca -0.06 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2ck2 s LEU 72 Cb -0.11 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2ck2 s LEU 72 CO 0.01 0.26 -0.06 -0.31 0.23 0.00 0.00 176.35 176.48 2ck2 s TYR 73 N -0.87 0.57 -0.13 0.29 1.51 0.00 -1.69 117.35 117.03 2ck2 s TYR 73 Ca 0.13 -0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.88 2ck2 s TYR 73 Cb -0.10 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2ck2 s TYR 73 CO 0.04 -0.05 0.54 -1.12 -1.11 0.00 0.00 175.55 173.85 2ck2 s SER 74 N 0.09 6.72 -0.37 2.29 0.01 -1.26 -0.70 113.70 120.48 2ck2 s SER 74 Ca -0.01 0.86 -0.11 0.00 1.31 0.00 0.00 55.95 58.00 2ck2 s SER 74 Cb -0.05 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2ck2 s SER 74 CO -0.00 -0.07 0.20 -0.69 0.41 0.00 0.00 173.24 173.08 2ck2 s VAL 75 N 0.93 4.51 -0.13 3.43 1.01 0.70 -0.20 120.40 130.65 2ck2 s VAL 75 Ca 0.28 -0.86 0.19 0.00 0.00 0.00 0.00 61.98 61.60 2ck2 s VAL 75 Cb -0.16 -3.51 -0.27 0.00 0.00 0.00 0.00 36.38 32.44 2ck2 s VAL 75 CO 0.11 -0.21 0.30 0.35 0.00 0.00 0.00 175.10 175.65 2ck2 n THR 76 N 4.98 0.86 -2.14 3.92 -2.24 -0.40 0.06 114.28 119.32 2ck2 n THR 76 Ca -0.12 -0.71 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 2ck2 n THR 76 Cb 0.46 -0.32 0.16 0.00 -2.10 0.00 0.00 70.33 68.53 2ck2 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ck2 n GLY 77 N 1.54 -0.69 3.39 3.38 0.00 -0.91 -4.45 105.19 107.44 2ck2 n GLY 77 Ca -0.20 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 2ck2 n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ck2 s ARG 78 N -5.47 1.45 0.00 1.61 3.03 -1.26 -4.57 118.95 113.74 2ck2 s ARG 78 Ca 0.68 -1.62 0.00 0.00 2.03 0.00 0.00 55.73 56.82 2ck2 s ARG 78 Cb -0.03 -1.40 0.00 0.00 -1.03 0.00 0.00 34.95 32.49 2ck2 s ARG 78 CO 0.47 0.26 0.00 0.41 -1.13 0.00 0.00 175.30 175.31 2ck2 n GLY 79 N -0.34 -0.59 0.57 3.88 0.00 -1.26 -4.15 105.19 103.30 2ck2 n GLY 79 Ca -0.08 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.86 2ck2 n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ck2 n ASP 80 N 0.00 1.81 -2.76 1.61 2.03 -1.26 -4.11 116.55 113.87 2ck2 n ASP 80 Ca 0.00 -1.57 -0.10 0.00 0.52 0.00 0.00 54.79 53.64 2ck2 n ASP 80 Cb 0.00 0.02 0.03 0.00 -0.72 0.00 0.00 41.12 40.45 2ck2 n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ck2 n SER 81 N 0.37 0.87 -4.64 1.67 2.88 -1.26 -5.14 113.62 108.37 2ck2 n SER 81 Ca 0.17 -2.76 -0.38 0.00 -1.33 0.00 0.00 58.87 54.57 2ck2 n SER 81 Cb 0.41 -0.31 0.06 0.00 -0.75 0.00 0.00 64.21 63.61 2ck2 n SER 81 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2ck2 n PRO 82 N -0.04 0.96 -1.97 -1.46 -0.02 -1.26 -4.96 135.00 126.25 2ck2 n PRO 82 Ca 0.11 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 2ck2 n PRO 82 Cb 0.79 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2ck2 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ck2 s ALA 83 N -1.48 3.59 0.07 3.55 0.00 -1.26 -4.76 121.76 121.46 2ck2 s ALA 83 Ca 0.77 1.40 0.04 0.00 0.00 0.00 0.00 51.96 54.17 2ck2 s ALA 83 Cb -0.41 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 2ck2 s ALA 83 CO 0.46 -0.82 -0.12 0.45 0.00 0.00 0.00 175.76 175.74 2ck2 s SER 84 N -0.00 1.38 0.89 0.00 0.15 -1.26 -1.27 113.70 113.58 2ck2 s SER 84 Ca 0.55 -0.62 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 2ck2 s SER 84 Cb -0.43 -0.01 0.13 0.00 -1.71 0.00 0.00 66.02 63.99 2ck2 s SER 84 CO 0.52 -0.14 1.16 -0.94 1.20 0.00 0.00 173.24 175.04 2ck2 s SER 85 N -1.78 3.76 0.84 5.45 1.04 0.72 -4.96 113.70 118.77 2ck2 s SER 85 Ca -0.04 0.85 -0.11 0.00 0.48 0.00 0.00 55.95 57.13 2ck2 s SER 85 Cb -0.09 -1.36 0.09 0.00 0.10 0.00 0.00 66.02 64.77 2ck2 s SER 85 CO 0.01 -2.38 1.10 -0.75 0.98 0.00 0.00 173.24 172.20 2ck2 s LYS 86 N -5.42 1.75 0.52 4.02 2.20 -1.26 -4.61 119.74 116.95 2ck2 s LYS 86 Ca 0.64 0.72 -0.18 0.00 -0.36 0.00 0.00 55.97 56.79 2ck2 s LYS 86 Cb -0.13 -1.87 -0.07 0.00 -1.51 0.00 0.00 37.83 34.25 2ck2 s LYS 86 CO 0.52 -1.87 1.03 -1.25 -0.36 0.00 0.00 175.35 173.41 2ck2 s PRO 87 N -5.06 3.70 -0.06 4.03 0.04 -1.26 -4.66 135.00 131.72 2ck2 s PRO 87 Ca 0.62 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2ck2 s PRO 87 Cb -0.16 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2ck2 s PRO 87 CO 0.55 -0.50 -0.01 0.00 0.04 0.00 0.00 177.00 177.09 2ck2 s ALA 88 N -2.29 0.63 0.13 8.56 0.00 -0.68 -4.97 121.76 123.13 2ck2 s ALA 88 Ca 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 2ck2 s ALA 88 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2ck2 s ALA 88 CO 0.27 -0.32 0.04 -1.54 0.00 0.00 0.00 175.76 174.22 2ck2 s SER 89 N 1.63 0.45 0.00 0.00 1.04 -1.26 0.08 113.70 115.64 2ck2 s SER 89 Ca -0.00 -1.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.11 2ck2 s SER 89 Cb -0.13 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2ck2 s SER 89 CO -0.04 -0.69 0.27 0.27 0.98 0.00 0.00 173.24 174.03 2ck2 s ILE 90 N -3.98 0.07 0.14 -1.02 -0.00 -0.61 -4.99 121.20 110.80 2ck2 s ILE 90 Ca 0.22 -0.58 0.08 0.00 -0.00 0.00 0.00 60.65 60.38 2ck2 s ILE 90 Cb 0.07 -0.65 -0.04 0.00 -0.00 0.00 0.00 42.46 41.84 2ck2 s ILE 90 CO 0.01 -0.32 -0.13 0.20 -0.00 0.00 0.00 174.94 174.70 2ck2 s ASN 91 N -1.51 4.16 0.25 4.36 -0.87 -1.26 -1.38 114.94 118.69 2ck2 s ASN 91 Ca -0.12 -0.52 -0.19 0.00 -1.57 0.00 0.00 52.86 50.46 2ck2 s ASN 91 Cb -0.05 -0.69 0.02 0.00 -0.02 0.00 0.00 41.25 40.52 2ck2 s ASN 91 CO 0.02 0.15 0.63 0.72 -2.57 0.00 0.00 177.10 176.06 2ck2 s PHE 92 N -1.36 -0.12 -0.02 2.20 -0.12 -0.84 -5.01 117.98 112.70 2ck2 s PHE 92 Ca 0.21 -0.28 0.06 0.00 -0.05 0.00 0.00 56.93 56.88 2ck2 s PHE 92 Cb -0.10 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 2ck2 s PHE 92 CO 0.13 -1.10 -0.20 0.50 -0.05 0.00 0.00 175.22 174.49 2ck2 s ARG 93 N -3.91 1.72 0.58 1.99 3.52 -1.26 -0.89 118.95 120.70 2ck2 s ARG 93 Ca 0.12 -0.72 -0.15 0.00 -0.13 0.00 0.00 55.73 54.85 2ck2 s ARG 93 Cb -0.04 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 2ck2 s ARG 93 CO 0.04 0.40 1.03 0.95 -0.81 0.00 0.00 175.30 176.91 2ck2 s THR 94 N -0.38 4.14 0.93 4.11 -4.23 -0.62 -4.90 115.64 114.69 2ck2 s THR 94 Ca 0.05 0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 61.40 2ck2 s THR 94 Cb -0.09 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.37 2ck2 s THR 94 CO -0.00 -0.66 1.10 -1.61 -0.54 0.00 0.00 174.62 172.90 2ck2 s GLU 95 N -4.29 0.96 0.00 3.99 2.02 -0.65 -2.20 118.70 118.53 2ck2 s GLU 95 Ca 0.61 1.08 0.31 0.00 0.02 0.00 0.00 54.97 56.99 2ck2 s GLU 95 Cb -0.13 -1.75 1.72 0.00 0.10 0.00 0.00 34.13 34.07 2ck2 s GLU 95 CO 0.39 -2.52 2.12 0.44 0.02 0.00 0.00 175.26 175.71