#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 0.00 -0.00 4.52 3.41 -1.26 -2.41 113.62 117.88 2ck2 n SER 2 Ca 0.00 -0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2ck2 n SER 2 Cb 0.00 -0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 2ck2 n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ck2 n ASP 3 N -1.22 0.75 -4.74 4.04 5.68 -1.26 -3.81 116.55 116.00 2ck2 n ASP 3 Ca 0.10 -0.63 -0.41 0.00 -0.50 0.00 0.00 54.79 53.35 2ck2 n ASP 3 Cb 0.13 1.31 -0.04 0.00 -1.14 0.00 0.00 41.12 41.38 2ck2 n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ck2 s VAL 4 N -3.01 3.92 0.36 2.12 1.01 -1.01 -4.42 120.40 119.37 2ck2 s VAL 4 Ca 0.02 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 2ck2 s VAL 4 Cb 0.14 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 2ck2 s VAL 4 CO 0.81 0.27 1.28 -2.65 0.00 0.00 0.00 175.10 174.80 2ck2 n PRO 5 N 2.50 2.07 -3.78 2.72 -0.02 -1.26 -4.52 135.00 132.71 2ck2 n PRO 5 Ca 0.03 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 2ck2 n PRO 5 Cb 0.46 -2.33 -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 -1.95 3.55 -0.77 -0.52 0.52 -0.23 -4.67 118.95 114.88 2ck2 s ARG 6 Ca 0.57 -0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.47 2ck2 s ARG 6 Cb -0.55 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 31.93 2ck2 s ARG 6 CO 0.61 0.59 0.48 -0.25 0.02 0.00 0.00 175.30 176.75 2ck2 n ASP 7 N 0.62 -3.36 -4.74 0.23 9.92 -1.26 -0.08 116.55 117.88 2ck2 n ASP 7 Ca -0.07 -0.87 -0.42 0.00 -0.53 0.00 0.00 54.79 52.90 2ck2 n ASP 7 Cb 0.52 -1.20 -0.02 0.00 -0.64 0.00 0.00 41.12 39.78 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 -3.30 2.55 0.04 0.53 1.01 -1.26 -4.27 121.20 116.50 2ck2 s ILE 8 Ca 0.18 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.29 2ck2 s ILE 8 Cb -0.10 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2ck2 s ILE 8 CO 0.71 0.06 -0.08 -0.70 0.00 0.00 0.00 174.94 174.92 2ck2 s GLU 9 N 0.12 0.55 -0.61 2.79 2.12 0.19 -4.97 118.70 118.90 2ck2 s GLU 9 Ca 0.64 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 55.11 2ck2 s GLU 9 Cb -0.43 -0.38 0.14 0.00 0.26 0.00 0.00 34.13 33.71 2ck2 s GLU 9 CO 0.40 0.08 0.60 0.08 -0.54 0.00 0.00 175.26 175.88 2ck2 s VAL 10 N -1.16 5.17 0.01 3.70 1.01 -1.26 -1.16 120.40 126.70 2ck2 s VAL 10 Ca -0.07 -1.54 -0.23 0.00 0.00 0.00 0.00 61.98 60.14 2ck2 s VAL 10 Cb -0.09 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 2ck2 s VAL 10 CO 0.00 -0.97 1.29 0.58 0.00 0.00 0.00 175.10 176.01 2ck2 h VAL 11 N 5.73 1.38 -2.08 2.92 2.07 -1.34 -3.47 116.25 121.45 2ck2 h VAL 11 Ca -0.23 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 2ck2 h VAL 11 Cb 1.09 2.04 -0.19 0.00 -1.52 0.00 0.00 31.29 32.71 2ck2 h VAL 11 CO 1.01 0.36 0.14 0.00 0.02 0.00 0.00 177.57 179.11 2ck2 s ALA 12 N -4.21 -1.70 0.11 1.67 0.00 -1.23 -5.00 121.76 111.41 2ck2 s ALA 12 Ca -0.15 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.22 2ck2 s ALA 12 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2ck2 s ALA 12 CO 0.72 -0.36 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 2ck2 s VAL 13 N -0.95 1.20 0.27 0.00 1.01 -1.26 -0.44 120.40 120.23 2ck2 s VAL 13 Ca -0.09 -1.68 0.04 0.00 0.00 0.00 0.00 61.98 60.25 2ck2 s VAL 13 Cb -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2ck2 s VAL 13 CO 0.08 -0.46 0.16 0.35 0.00 0.00 0.00 175.10 175.24 2ck2 n THR 14 N 0.56 0.00 0.28 3.92 -2.24 -0.20 -4.82 114.28 111.79 2ck2 n THR 14 Ca -0.16 -1.77 0.15 0.00 -2.27 0.00 0.00 64.05 60.00 2ck2 n THR 14 Cb 0.57 0.77 0.81 0.00 -2.10 0.00 0.00 70.33 70.38 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 0.00 0.00 -0.78 0.11 -1.92 -1.82 132.00 127.59 2ck2 h PRO 15 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2ck2 h PRO 15 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2ck2 h PRO 15 CO 0.31 0.08 -0.08 0.25 -0.21 0.00 0.00 178.00 178.35 2ck2 n THR 16 N -3.53 0.39 -3.92 -1.15 -2.24 -1.26 -1.81 114.28 100.76 2ck2 n THR 16 Ca -0.02 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 2ck2 n THR 16 Cb 0.21 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.62 -0.09 -0.22 3.42 1.04 -1.24 -0.98 113.70 115.01 2ck2 s SER 17 Ca 0.02 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.51 2ck2 s SER 17 Cb 0.02 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.74 2ck2 s SER 17 CO 0.00 -1.03 0.56 0.00 0.98 0.00 0.00 173.24 173.75 2ck2 s ALA 18 N -3.96 -1.46 -0.33 5.32 0.00 0.22 -1.03 121.76 120.52 2ck2 s ALA 18 Ca 0.17 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 53.84 2ck2 s ALA 18 Cb 0.01 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2ck2 s ALA 18 CO 0.03 -0.31 0.47 -1.17 0.00 0.00 0.00 175.76 174.78 2ck2 s LEU 19 N 1.17 4.30 -0.10 0.00 2.96 0.41 -0.81 118.68 126.61 2ck2 s LEU 19 Ca -0.07 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2ck2 s LEU 19 Cb -0.06 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 2ck2 s LEU 19 CO -0.11 -0.40 0.03 -0.63 -1.32 0.00 0.00 176.35 173.91 2ck2 s ILE 20 N 2.29 4.59 0.15 6.68 -1.09 0.78 -0.82 121.20 133.77 2ck2 s ILE 20 Ca 0.17 -0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.48 2ck2 s ILE 20 Cb -0.16 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 2ck2 s ILE 20 CO 0.12 0.60 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.84 2ck2 s SER 21 N -0.83 1.34 0.02 3.58 0.15 -0.31 -0.87 113.70 116.79 2ck2 s SER 21 Ca 0.13 -1.09 -0.29 0.00 0.70 0.00 0.00 55.95 55.40 2ck2 s SER 21 Cb -0.12 0.08 0.10 0.00 -1.71 0.00 0.00 66.02 64.37 2ck2 s SER 21 CO 0.03 -0.48 1.12 -1.66 1.20 0.00 0.00 173.24 173.44 2ck2 s TRP 22 N -3.57 -0.12 -0.10 3.44 -2.14 -0.92 0.56 118.94 116.09 2ck2 s TRP 22 Ca 0.19 -0.05 -0.04 0.00 2.66 0.00 0.00 56.10 58.86 2ck2 s TRP 22 Cb 0.05 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 2ck2 s TRP 22 CO 0.01 -0.48 0.05 -0.51 -2.66 0.00 0.00 176.95 173.36 2ck2 s ASP 23 N -2.80 5.66 0.32 -2.66 1.01 0.88 -4.74 116.67 114.35 2ck2 s ASP 23 Ca 0.12 0.26 -0.29 0.00 0.71 0.00 0.00 52.55 53.35 2ck2 s ASP 23 Cb 0.01 -1.69 -0.10 0.00 1.01 0.00 0.00 42.92 42.15 2ck2 s ASP 23 CO -0.03 0.39 1.34 0.00 0.21 0.00 0.00 175.17 177.08 2ck2 s ALA 24 N -0.92 3.52 1.00 5.23 0.00 -1.26 -1.06 121.76 128.26 2ck2 s ALA 24 Ca 0.14 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 2ck2 s ALA 24 Cb -0.12 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.70 2ck2 s ALA 24 CO 0.03 -0.68 1.11 -1.25 0.00 0.00 0.00 175.76 174.96 2ck2 s PRO 25 N -1.58 0.38 0.38 0.00 0.04 -1.26 -4.77 135.00 128.19 2ck2 s PRO 25 Ca 0.51 1.33 0.14 0.00 0.04 0.00 0.00 61.00 63.02 2ck2 s PRO 25 Cb -0.40 -1.67 0.75 0.00 0.04 0.00 0.00 34.50 33.22 2ck2 s PRO 25 CO 0.52 -3.00 1.83 0.00 0.04 0.00 0.00 177.00 176.39 2ck2 h ALA 26 N -2.13 1.34 -2.28 8.56 0.00 -1.91 -3.44 119.26 119.41 2ck2 h ALA 26 Ca -0.49 -0.33 -0.49 0.00 0.00 0.00 0.00 54.91 53.60 2ck2 h ALA 26 Cb 1.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ck2 h ALA 26 CO 0.44 0.46 0.17 0.14 0.00 0.00 0.00 179.25 180.46 2ck2 s VAL 27 N -4.14 4.69 0.10 0.00 -7.23 -1.25 -5.02 120.40 107.55 2ck2 s VAL 27 Ca -0.03 0.85 -0.31 0.00 -1.81 0.00 0.00 61.98 60.69 2ck2 s VAL 27 Cb 0.14 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.31 2ck2 s VAL 27 CO 0.72 -0.47 1.43 -0.89 -0.31 0.00 0.00 175.10 175.57 2ck2 s THR 28 N -2.33 3.28 0.14 5.32 2.01 -1.26 -5.00 115.64 117.80 2ck2 s THR 28 Ca 0.54 0.88 0.05 0.00 0.31 0.00 0.00 61.69 63.47 2ck2 s THR 28 Cb -0.10 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2ck2 s THR 28 CO 0.27 0.05 -0.12 0.27 -0.69 0.00 0.00 174.62 174.41 2ck2 s ILE 29 N 1.42 1.24 -0.21 1.82 -4.36 -1.26 -4.86 121.20 114.99 2ck2 s ILE 29 Ca 0.66 -1.92 -0.14 0.00 -0.26 0.00 0.00 60.65 58.99 2ck2 s ILE 29 Cb -0.37 -1.71 -0.19 0.00 1.25 0.00 0.00 42.46 41.44 2ck2 s ILE 29 CO 0.30 -0.61 0.08 0.54 0.24 0.00 0.00 174.94 175.49 2ck2 n ARG 30 N 0.10 0.63 -4.15 0.37 1.74 0.93 -4.57 116.66 111.71 2ck2 n ARG 30 Ca -0.12 0.38 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 2ck2 n ARG 30 Cb 0.59 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 2ck2 n ARG 30 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2ck2 s TYR 31 N -2.46 0.81 -0.14 -1.55 1.51 -0.72 -1.03 117.35 113.77 2ck2 s TYR 31 Ca -0.30 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 54.72 2ck2 s TYR 31 Cb 0.08 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 2ck2 s TYR 31 CO 0.62 -0.32 -0.19 0.42 -1.11 0.00 0.00 175.55 174.96 2ck2 s ILE 32 N -3.83 2.36 -0.30 2.71 -1.09 -0.02 -0.32 121.20 120.71 2ck2 s ILE 32 Ca 0.15 -0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 57.59 2ck2 s ILE 32 Cb 0.07 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2ck2 s ILE 32 CO -0.04 0.54 0.14 -0.13 -1.23 0.00 0.00 174.94 174.22 2ck2 s ARG 33 N 0.67 3.47 -0.20 2.79 1.81 0.24 0.54 118.95 128.27 2ck2 s ARG 33 Ca -0.09 -0.62 -0.02 0.00 -1.72 0.00 0.00 55.73 53.27 2ck2 s ARG 33 Cb -0.16 -3.53 0.00 0.00 -0.45 0.00 0.00 34.95 30.81 2ck2 s ARG 33 CO 0.02 -0.35 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.01 2ck2 s LEU 34 N 1.63 2.58 -0.07 2.53 0.20 0.16 -2.00 118.68 123.71 2ck2 s LEU 34 Ca 0.05 -0.50 0.05 0.00 0.69 0.00 0.00 54.13 54.42 2ck2 s LEU 34 Cb -0.17 -1.63 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2ck2 s LEU 34 CO 0.06 -0.01 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.00 2ck2 s THR 35 N 1.40 2.31 0.06 3.68 2.01 -0.02 -0.75 115.64 124.33 2ck2 s THR 35 Ca 0.05 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2ck2 s THR 35 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2ck2 s THR 35 CO -0.07 0.57 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.63 2ck2 s TYR 36 N -0.14 0.75 -0.01 4.92 1.13 -0.20 0.10 117.35 123.91 2ck2 s TYR 36 Ca -0.04 -0.67 -0.30 0.00 -1.41 0.00 0.00 57.07 54.65 2ck2 s TYR 36 Cb -0.14 -0.45 0.11 0.00 -1.10 0.00 0.00 41.96 40.39 2ck2 s TYR 36 CO 0.04 -0.11 1.22 0.20 -2.51 0.00 0.00 175.55 174.38 2ck2 s GLY 37 N -2.17 -0.37 0.18 5.49 0.00 -0.49 -1.40 107.32 108.55 2ck2 s GLY 37 Ca -0.01 0.71 -0.31 0.00 0.00 0.00 0.00 44.72 45.11 2ck2 s GLY 37 CO -0.02 0.15 1.47 -0.54 0.00 0.00 0.00 173.10 174.17 2ck2 s GLU 38 N -2.58 4.26 0.28 2.90 2.02 -1.26 0.15 118.70 124.46 2ck2 s GLU 38 Ca 0.13 2.26 -0.30 0.00 0.02 0.00 0.00 54.97 57.08 2ck2 s GLU 38 Cb 0.03 -3.17 -0.11 0.00 0.10 0.00 0.00 34.13 30.98 2ck2 s GLU 38 CO -0.03 -0.49 1.62 0.99 0.02 0.00 0.00 175.26 177.37 2ck2 s THR 39 N 0.76 2.04 -0.25 3.63 2.01 -0.46 -3.56 115.64 119.81 2ck2 s THR 39 Ca 0.65 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.52 2ck2 s THR 39 Cb -0.41 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2ck2 s THR 39 CO 0.35 0.00 0.31 0.61 -0.69 0.00 0.00 174.62 175.20 2ck2 n GLY 40 N 2.47 -0.61 3.59 4.40 0.00 -1.26 -4.93 105.19 108.84 2ck2 n GLY 40 Ca 0.09 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.43 -0.39 0.00 -0.02 0.00 -1.23 -5.01 107.32 99.24 2ck2 s GLY 41 Ca 0.17 0.67 0.22 0.00 0.00 0.00 0.00 44.72 45.78 2ck2 s GLY 41 CO 0.51 0.21 1.46 0.70 0.00 0.00 0.00 173.10 175.97 2ck2 n ASN 42 N -0.33 3.41 -4.78 1.64 3.02 -1.26 -4.94 115.26 112.02 2ck2 n ASN 42 Ca -0.08 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.12 2ck2 n ASN 42 Cb 0.62 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 2ck2 n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ck2 s SER 43 N -1.29 7.25 0.51 6.41 0.15 -1.26 -4.99 113.70 120.49 2ck2 s SER 43 Ca 0.41 1.90 -0.20 0.00 0.70 0.00 0.00 55.95 58.76 2ck2 s SER 43 Cb 0.23 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 2ck2 s SER 43 CO 0.31 -0.13 0.65 -0.81 1.20 0.00 0.00 173.24 174.46 2ck2 n PRO 44 N 0.53 0.70 -3.81 5.44 -0.04 -1.26 -4.71 135.00 131.84 2ck2 n PRO 44 Ca 0.02 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.38 2ck2 n PRO 44 Cb 0.50 -1.76 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.57 3.50 0.07 0.52 1.01 -1.26 -4.63 120.40 118.05 2ck2 s VAL 45 Ca 0.67 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2ck2 s VAL 45 Cb -0.50 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 2ck2 s VAL 45 CO 0.55 -0.11 0.57 -1.58 0.00 0.00 0.00 175.10 174.53 2ck2 s GLN 46 N 1.36 4.21 -0.04 2.72 0.74 -0.49 -4.87 119.66 123.29 2ck2 s GLN 46 Ca -0.02 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.20 2ck2 s GLN 46 Cb -0.19 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 2ck2 s GLN 46 CO 0.01 0.63 -0.25 -2.00 -0.55 0.00 0.00 175.29 173.13 2ck2 s GLU 47 N -1.08 2.32 0.03 1.67 2.12 -1.26 -1.03 118.70 121.48 2ck2 s GLU 47 Ca 0.29 -0.90 0.06 0.00 0.36 0.00 0.00 54.97 54.78 2ck2 s GLU 47 Cb -0.20 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 2ck2 s GLU 47 CO 0.19 0.45 -0.16 0.96 -0.54 0.00 0.00 175.26 176.15 2ck2 s ILE 48 N -0.34 1.30 -0.17 -3.70 -4.36 0.07 -4.99 121.20 109.02 2ck2 s ILE 48 Ca 0.02 -1.01 -0.05 0.00 -0.26 0.00 0.00 60.65 59.35 2ck2 s ILE 48 Cb -0.12 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 2ck2 s ILE 48 CO 0.02 0.12 0.00 -0.89 0.24 0.00 0.00 174.94 174.43 2ck2 s THR 49 N -0.76 4.22 0.27 8.37 2.01 -1.26 -0.67 115.64 127.82 2ck2 s THR 49 Ca 0.04 -0.24 0.11 0.00 0.31 0.00 0.00 61.69 61.92 2ck2 s THR 49 Cb -0.08 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2ck2 s THR 49 CO 0.01 0.48 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.50 2ck2 s LEU 50 N 0.39 2.71 0.33 4.42 1.43 0.19 -4.94 118.68 123.21 2ck2 s LEU 50 Ca -0.01 -0.93 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 2ck2 s LEU 50 Cb -0.14 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 44.74 2ck2 s LEU 50 CO 0.02 0.04 1.38 -2.84 0.23 0.00 0.00 176.35 175.18 2ck2 s PRO 51 N -3.45 4.27 0.35 1.29 0.02 -1.26 -0.84 135.00 135.37 2ck2 s PRO 51 Ca 0.29 2.34 0.17 0.00 0.02 0.00 0.00 61.00 63.82 2ck2 s PRO 51 Cb -0.06 -3.05 0.95 0.00 0.02 0.00 0.00 34.50 32.36 2ck2 s PRO 51 CO 0.16 -0.33 1.47 0.78 -0.33 0.00 0.00 177.00 178.75 2ck2 h GLY 52 N 3.58 0.00 0.05 0.52 0.00 -1.32 0.13 103.07 106.02 2ck2 h GLY 52 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2ck2 h GLY 52 CO 0.67 0.00 -0.48 -1.14 0.00 0.00 0.00 176.54 175.60 2ck2 n SER 53 N -2.18 1.17 -4.73 0.19 3.41 -1.26 -4.89 113.62 105.33 2ck2 n SER 53 Ca -0.01 -0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 2ck2 n SER 53 Cb 0.22 0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 2ck2 n SER 53 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ck2 s LYS 54 N -2.67 4.61 0.00 4.33 2.20 0.03 -4.94 119.74 123.30 2ck2 s LYS 54 Ca 0.18 1.55 0.06 0.00 -0.36 0.00 0.00 55.97 57.39 2ck2 s LYS 54 Cb 0.18 -3.37 0.10 0.00 -1.51 0.00 0.00 37.83 33.23 2ck2 s LYS 54 CO 0.62 0.07 0.89 -1.13 -0.36 0.00 0.00 175.35 175.44 2ck2 n SER 55 N 3.05 1.95 -3.91 1.43 3.41 -1.26 -4.93 113.62 113.36 2ck2 n SER 55 Ca 0.04 -1.58 -0.09 0.00 -0.26 0.00 0.00 58.87 56.98 2ck2 n SER 55 Cb 0.48 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.72 0.14 -0.28 6.66 -4.23 -1.26 -2.17 115.64 113.79 2ck2 s THR 56 Ca 0.10 -1.31 -0.21 0.00 -1.18 0.00 0.00 61.69 59.08 2ck2 s THR 56 Cb 0.06 -1.44 0.08 0.00 1.34 0.00 0.00 72.50 72.54 2ck2 s THR 56 CO 0.08 -0.65 0.75 -0.47 -0.54 0.00 0.00 174.62 173.78 2ck2 s TYR 57 N -3.89 -0.86 -0.26 3.99 5.04 -0.04 -5.00 117.35 116.33 2ck2 s TYR 57 Ca 0.07 1.90 -0.08 0.00 -2.44 0.00 0.00 57.07 56.53 2ck2 s TYR 57 Cb 0.05 0.42 -0.02 0.00 0.35 0.00 0.00 41.96 42.75 2ck2 s TYR 57 CO -0.09 -0.42 0.09 0.99 -1.34 0.00 0.00 175.55 174.78 2ck2 s THR 58 N 0.88 4.39 -0.11 4.34 2.01 -1.26 -0.16 115.64 125.73 2ck2 s THR 58 Ca -0.04 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 2ck2 s THR 58 Cb -0.05 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2ck2 s THR 58 CO -0.08 0.28 0.49 -0.63 -0.69 0.00 0.00 174.62 173.99 2ck2 s ILE 59 N 1.62 5.17 0.41 1.82 1.01 0.01 -4.92 121.20 126.31 2ck2 s ILE 59 Ca 0.06 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.74 2ck2 s ILE 59 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2ck2 s ILE 59 CO 0.04 0.33 0.16 -0.94 0.00 0.00 0.00 174.94 174.54 2ck2 s SER 60 N 0.56 2.71 -0.92 3.58 1.04 -1.26 -0.61 113.70 118.80 2ck2 s SER 60 Ca 0.27 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2ck2 s SER 60 Cb -0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2ck2 s SER 60 CO 0.11 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2ck2 n GLY 61 N -0.90 0.65 3.93 7.32 0.00 -0.75 -4.93 105.19 110.51 2ck2 n GLY 61 Ca -0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.35 3.35 0.01 0.99 1.43 -0.15 -5.05 118.68 116.90 2ck2 s LEU 62 Ca 0.00 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 2ck2 s LEU 62 Cb 0.00 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 2ck2 s LEU 62 CO 0.00 -0.98 0.37 -0.54 0.23 0.00 0.00 176.35 175.43 2ck2 s LYS 63 N -4.85 3.81 0.75 1.70 1.02 -1.26 -4.33 119.74 116.59 2ck2 s LYS 63 Ca 0.53 0.28 -0.15 0.00 0.02 0.00 0.00 55.97 56.65 2ck2 s LYS 63 Cb -0.10 -3.15 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 2ck2 s LYS 63 CO 0.42 0.67 1.23 -2.14 -0.92 0.00 0.00 175.35 174.61 2ck2 s PRO 64 N -1.31 1.95 -1.68 -1.68 0.02 -0.75 -3.50 135.00 128.06 2ck2 s PRO 64 Ca 0.25 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 2ck2 s PRO 64 Cb -0.15 -1.80 0.13 0.00 0.02 0.00 0.00 34.50 32.69 2ck2 s PRO 64 CO 0.14 -2.00 0.58 0.41 -0.33 0.00 0.00 177.00 175.80 2ck2 n GLY 65 N 0.58 -0.36 3.29 0.52 0.00 0.26 -4.88 105.19 104.61 2ck2 n GLY 65 Ca 0.14 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.53 1.92 -0.09 2.61 2.01 -1.23 -4.86 115.64 112.47 2ck2 s THR 66 Ca 0.54 -1.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.08 2ck2 s THR 66 Cb -0.30 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2ck2 s THR 66 CO 0.95 0.37 0.78 -1.81 -0.69 0.00 0.00 174.62 174.22 2ck2 s ASP 67 N -1.00 7.03 0.11 3.53 -0.00 -1.26 -1.37 116.67 123.70 2ck2 s ASP 67 Ca 0.10 1.24 0.08 0.00 -0.00 0.00 0.00 52.55 53.97 2ck2 s ASP 67 Cb -0.09 -2.45 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 2ck2 s ASP 67 CO 0.01 -0.22 -0.19 -0.31 -0.00 0.00 0.00 175.17 174.46 2ck2 s TYR 68 N 1.25 1.67 -0.03 4.23 1.51 0.05 -1.36 117.35 124.67 2ck2 s TYR 68 Ca 0.40 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 56.08 2ck2 s TYR 68 Cb -0.18 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 2ck2 s TYR 68 CO 0.18 0.20 -0.25 0.99 -1.11 0.00 0.00 175.55 175.56 2ck2 s THR 69 N -1.48 1.99 -0.09 -0.71 2.01 0.12 -1.73 115.64 115.76 2ck2 s THR 69 Ca 0.07 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2ck2 s THR 69 Cb -0.09 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2ck2 s THR 69 CO 0.04 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.73 2ck2 s VAL 70 N -0.41 1.19 -0.05 3.82 1.01 -0.47 -1.40 120.40 124.09 2ck2 s VAL 70 Ca 0.04 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2ck2 s VAL 70 Cb -0.11 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2ck2 s VAL 70 CO 0.01 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.38 2ck2 s THR 71 N 1.13 2.36 0.02 3.92 2.01 0.11 -1.45 115.64 123.75 2ck2 s THR 71 Ca -0.05 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.04 2ck2 s THR 71 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 2ck2 s THR 71 CO -0.02 0.57 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 2ck2 s LEU 72 N -0.39 2.11 -0.06 4.42 1.43 0.30 -0.84 118.68 125.65 2ck2 s LEU 72 Ca 0.03 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 2ck2 s LEU 72 Cb -0.12 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.27 2ck2 s LEU 72 CO 0.02 0.16 0.44 -0.72 0.23 0.00 0.00 176.35 176.48 2ck2 s TYR 73 N -0.64 -0.38 0.17 0.29 -0.85 -0.85 0.20 117.35 115.28 2ck2 s TYR 73 Ca 0.06 0.73 0.00 0.00 -0.52 0.00 0.00 57.07 57.34 2ck2 s TYR 73 Cb -0.08 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 2ck2 s TYR 73 CO 0.01 -0.41 0.34 -1.54 -1.52 0.00 0.00 175.55 172.43 2ck2 s SER 74 N -0.88 6.38 -0.14 -0.18 1.04 -1.26 -0.59 113.70 118.07 2ck2 s SER 74 Ca -0.09 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.68 2ck2 s SER 74 Cb -0.03 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.12 2ck2 s SER 74 CO 0.05 0.01 -0.16 -0.69 0.98 0.00 0.00 173.24 173.42 2ck2 s VAL 75 N -1.78 1.68 0.12 5.02 1.01 0.56 -1.77 120.40 125.24 2ck2 s VAL 75 Ca 0.37 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.73 2ck2 s VAL 75 Cb -0.11 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2ck2 s VAL 75 CO 0.28 0.48 -0.26 0.42 0.00 0.00 0.00 175.10 176.02 2ck2 s THR 76 N 1.18 2.31 0.00 3.92 -4.23 -0.43 -0.05 115.64 118.34 2ck2 s THR 76 Ca -0.01 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2ck2 s THR 76 Cb -0.14 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2ck2 s THR 76 CO -0.06 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2ck2 n GLY 77 N 0.98 0.82 3.98 3.99 0.00 -1.26 -1.45 105.19 112.26 2ck2 n GLY 77 Ca -0.18 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.28 2.88 0.00 1.61 1.70 -1.26 -4.89 118.95 117.71 2ck2 s ARG 78 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2ck2 s ARG 78 Cb 0.00 -2.67 0.00 0.00 -0.57 0.00 0.00 34.95 31.71 2ck2 s ARG 78 CO 0.00 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.34 2ck2 n GLY 79 N -1.96 -0.31 0.00 3.88 0.00 -1.26 -4.88 105.19 100.66 2ck2 n GLY 79 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ck2 n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ck2 n PRO 82 N 0.00 -2.18 -4.07 1.61 -0.02 -1.26 -5.19 135.00 123.89 2ck2 n PRO 82 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 2ck2 n PRO 82 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 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 -1.44 3.63 0.10 3.55 0.00 -0.53 -4.96 121.76 122.12 2ck2 s ALA 83 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2ck2 s ALA 83 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2ck2 s ALA 83 CO 0.00 0.58 -0.08 -1.12 0.00 0.00 0.00 175.76 175.13 2ck2 s SER 84 N -0.87 4.51 0.59 0.00 0.01 -1.26 -1.31 113.70 115.37 2ck2 s SER 84 Ca 0.14 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 2ck2 s SER 84 Cb -0.12 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.24 2ck2 s SER 84 CO 0.03 0.18 0.87 -0.94 0.41 0.00 0.00 173.24 173.79 2ck2 s SER 85 N -2.24 5.32 0.42 2.44 1.04 -0.73 -4.99 113.70 114.95 2ck2 s SER 85 Ca 0.22 0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.81 2ck2 s SER 85 Cb -0.11 -1.30 -0.08 0.00 0.10 0.00 0.00 66.02 64.63 2ck2 s SER 85 CO 0.15 -1.19 1.14 -1.59 0.98 0.00 0.00 173.24 172.73 2ck2 s LYS 86 N -4.95 4.00 0.66 4.02 -2.85 -1.26 -4.65 119.74 114.71 2ck2 s LYS 86 Ca 0.56 1.75 -0.14 0.00 -1.00 0.00 0.00 55.97 57.14 2ck2 s LYS 86 Cb -0.10 -2.57 -0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2ck2 s LYS 86 CO 0.42 -0.35 1.08 -1.25 0.10 0.00 0.00 175.35 175.35 2ck2 s PRO 87 N -2.45 2.93 -0.02 1.78 0.04 -1.26 -4.76 135.00 131.27 2ck2 s PRO 87 Ca 0.59 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2ck2 s PRO 87 Cb -0.28 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 2ck2 s PRO 87 CO 0.35 -1.12 -0.12 0.00 0.04 0.00 0.00 177.00 176.15 2ck2 s ALA 88 N -2.61 1.05 0.16 8.56 0.00 0.13 -4.92 121.76 124.14 2ck2 s ALA 88 Ca 0.63 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2ck2 s ALA 88 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2ck2 s ALA 88 CO 0.45 0.22 0.12 -1.54 0.00 0.00 0.00 175.76 175.01 2ck2 s SER 89 N -0.09 0.21 0.06 0.00 1.04 -1.26 0.11 113.70 113.77 2ck2 s SER 89 Ca 0.01 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.14 2ck2 s SER 89 Cb -0.07 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2ck2 s SER 89 CO 0.00 -0.80 0.15 0.27 0.98 0.00 0.00 173.24 173.84 2ck2 s ILE 90 N -4.08 0.14 0.07 -1.02 -4.36 -0.52 -4.99 121.20 106.43 2ck2 s ILE 90 Ca 0.29 -1.15 0.09 0.00 -0.26 0.00 0.00 60.65 59.61 2ck2 s ILE 90 Cb 0.07 -1.16 -0.03 0.00 1.25 0.00 0.00 42.46 42.59 2ck2 s ILE 90 CO 0.06 -0.64 -0.25 0.20 0.24 0.00 0.00 174.94 174.55 2ck2 s ASN 91 N -2.51 2.96 0.22 4.36 0.01 -1.26 -1.36 114.94 117.35 2ck2 s ASN 91 Ca 0.01 -0.61 -0.12 0.00 -0.71 0.00 0.00 52.86 51.42 2ck2 s ASN 91 Cb 0.02 -0.24 -0.00 0.00 0.41 0.00 0.00 41.25 41.44 2ck2 s ASN 91 CO -0.08 0.20 0.43 0.72 -1.51 0.00 0.00 177.10 176.87 2ck2 s PHE 92 N -0.89 0.30 -0.03 2.20 -0.12 -0.70 -5.00 117.98 113.74 2ck2 s PHE 92 Ca 0.11 -0.66 0.06 0.00 -0.05 0.00 0.00 56.93 56.38 2ck2 s PHE 92 Cb -0.10 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 2ck2 s PHE 92 CO 0.03 -0.91 -0.20 0.50 -0.05 0.00 0.00 175.22 174.59 2ck2 s ARG 93 N -3.98 1.88 0.83 1.99 3.52 -1.26 -0.77 118.95 121.16 2ck2 s ARG 93 Ca 0.19 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 54.95 2ck2 s ARG 93 Cb 0.00 -1.70 0.09 0.00 -1.56 0.00 0.00 34.95 31.78 2ck2 s ARG 93 CO 0.05 0.36 1.10 0.95 -0.81 0.00 0.00 175.30 176.96 2ck2 s THR 94 N -0.25 2.86 0.71 4.11 -4.23 -0.47 -4.89 115.64 113.47 2ck2 s THR 94 Ca 0.02 0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 2ck2 s THR 94 Cb -0.10 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.76 2ck2 s THR 94 CO 0.01 -0.36 1.06 -1.61 -0.54 0.00 0.00 174.62 173.18 2ck2 s GLU 95 N -5.14 2.83 0.00 3.99 2.02 -0.68 -3.09 118.70 118.63 2ck2 s GLU 95 Ca 0.62 0.92 0.27 0.00 0.02 0.00 0.00 54.97 56.79 2ck2 s GLU 95 Cb -0.15 -1.98 0.75 0.00 0.10 0.00 0.00 34.13 32.85 2ck2 s GLU 95 CO 0.54 -1.16 1.58 -0.89 0.02 0.00 0.00 175.26 175.34