#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcx s ASP 2 N 0.00 4.30 -0.19 6.43 1.01 -1.26 -4.88 116.67 122.07 2kcx s ASP 2 Ca 0.00 0.81 -0.07 0.00 0.71 0.00 0.00 52.55 54.00 2kcx s ASP 2 Cb 0.00 -2.51 0.08 0.00 1.01 0.00 0.00 42.92 41.50 2kcx s ASP 2 CO 0.00 -3.14 0.42 -0.44 0.21 0.00 0.00 175.17 172.22 2kcx s SER 3 N 11.86 -0.30 -0.18 0.27 0.01 -1.26 -5.16 113.70 118.93 2kcx s SER 3 Ca 0.96 0.97 -0.11 0.00 1.31 0.00 0.00 55.95 59.08 2kcx s SER 3 Cb -0.16 1.23 -0.05 0.00 0.21 0.00 0.00 66.02 67.26 2kcx s SER 3 CO 0.21 -0.22 0.18 0.00 0.41 0.00 0.00 173.24 173.82 2kcx s ASP 5 N 0.34 6.19 -1.44 0.00 1.11 -1.26 -3.53 116.67 118.07 2kcx s ASP 5 Ca 0.11 1.37 -0.12 0.00 0.18 0.00 0.00 52.55 54.09 2kcx s ASP 5 Cb -0.12 -2.53 0.08 0.00 1.07 0.00 0.00 42.92 41.42 2kcx s ASP 5 CO 0.00 -1.46 0.69 0.61 1.18 0.00 0.00 175.17 176.19 2kcx n GLY 6 N 5.03 -0.49 3.63 0.21 0.00 -1.26 -4.94 105.19 107.37 2kcx n GLY 6 Ca 0.20 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 2kcx n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcx s VAL 7 N -3.11 4.34 -0.34 1.61 1.01 -1.23 -5.09 120.40 117.59 2kcx s VAL 7 Ca 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 2kcx s VAL 7 Cb -0.27 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.31 2kcx s VAL 7 CO 0.64 0.55 0.07 -1.61 0.00 0.00 0.00 175.10 174.74 2kcx s GLU 8 N -0.33 2.27 0.48 2.72 2.02 -1.26 -4.98 118.70 119.62 2kcx s GLU 8 Ca 0.07 -1.45 0.02 0.00 0.02 0.00 0.00 54.97 53.63 2kcx s GLU 8 Cb -0.12 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 2kcx s GLU 8 CO 0.02 -0.77 0.07 0.00 0.02 0.00 0.00 175.26 174.60 2kcx n GLY 10 N -1.12 -0.35 3.57 0.00 0.00 -0.36 -4.97 105.19 101.96 2kcx n GLY 10 Ca -0.15 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2kcx n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kcx s PRO 11 N 0.00 2.79 0.00 1.61 0.04 -1.26 -2.96 135.00 135.22 2kcx s PRO 11 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.19 2kcx s PRO 11 Cb 0.00 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2kcx s PRO 11 CO 0.00 -3.34 0.00 0.41 0.04 0.00 0.00 177.00 174.11 2kcx n GLY 12 N 6.36 0.69 2.94 0.56 0.00 -1.26 -5.04 105.19 109.44 2kcx n GLY 12 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 2kcx n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcx s LYS 13 N -0.90 0.48 0.01 1.61 1.02 -1.16 -0.30 119.74 120.50 2kcx s LYS 13 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.87 2kcx s LYS 13 Cb 0.00 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 2kcx s LYS 13 CO 0.00 0.07 -0.11 0.00 -0.92 0.00 0.00 175.35 174.39 2kcx s ALA 14 N 0.13 0.89 -0.12 5.17 0.00 -0.23 -1.22 121.76 126.38 2kcx s ALA 14 Ca -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 2kcx s ALA 14 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2kcx s ALA 14 CO -0.00 0.19 0.03 0.00 0.00 0.00 0.00 175.76 175.98 2kcx s ARG 16 N -0.46 1.33 -0.35 0.00 6.06 -0.03 -4.91 118.95 120.58 2kcx s ARG 16 Ca 0.09 -0.56 -0.29 0.00 -2.50 0.00 0.00 55.73 52.47 2kcx s ARG 16 Cb -0.12 -1.26 0.01 0.00 0.06 0.00 0.00 34.95 33.64 2kcx s ARG 16 CO 0.02 0.31 1.28 -1.64 -2.50 0.00 0.00 175.30 172.78 2kcx s MET 17 N -0.28 3.83 -0.21 5.12 -1.94 -1.26 -1.01 119.30 123.55 2kcx s MET 17 Ca 0.04 1.07 0.01 0.00 -1.71 0.00 0.00 55.69 55.11 2kcx s MET 17 Cb -0.07 -3.90 0.04 0.00 2.01 0.00 0.00 34.83 32.91 2kcx s MET 17 CO -0.00 -1.23 -0.12 -0.51 -0.01 0.00 0.00 175.02 173.15 2kcx s LEU 18 N 4.55 2.51 -1.62 -0.03 1.43 0.39 -4.76 118.68 121.14 2kcx s LEU 18 Ca 0.55 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2kcx s LEU 18 Cb -0.14 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2kcx s LEU 18 CO 0.26 -0.13 0.08 0.61 0.23 0.00 0.00 176.35 177.39 2kcx n GLY 19 N 4.62 -0.43 1.01 -3.19 0.00 -1.26 -1.86 105.19 104.08 2kcx n GLY 19 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kcx n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcx n GLY 20 N -1.08 2.16 3.24 -0.02 0.00 -1.26 -5.04 105.19 103.18 2kcx n GLY 20 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2kcx n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcx s ARG 21 N -0.71 2.10 0.28 1.61 0.52 -0.78 -5.07 118.95 116.90 2kcx s ARG 21 Ca 0.00 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.18 2kcx s ARG 21 Cb 0.00 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 2kcx s ARG 21 CO 0.00 0.41 0.82 -1.25 0.02 0.00 0.00 175.30 175.30 2kcx s PRO 22 N -0.30 4.35 -0.07 3.54 0.04 -1.26 -0.46 135.00 140.85 2kcx s PRO 22 Ca 0.02 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.13 2kcx s PRO 22 Cb -0.11 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2kcx s PRO 22 CO 0.01 0.30 -0.18 1.03 0.04 0.00 0.00 177.00 178.20 2kcx s ARG 23 N -2.17 2.19 -0.28 4.56 0.52 -0.18 -4.91 118.95 118.68 2kcx s ARG 23 Ca 0.48 -0.65 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 2kcx s ARG 23 Cb -0.16 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 2kcx s ARG 23 CO 0.21 0.17 0.15 0.00 0.02 0.00 0.00 175.30 175.85 2kcx s GLU 25 N 1.68 0.94 -0.35 0.00 2.02 -0.33 -4.88 118.70 117.78 2kcx s GLU 25 Ca 0.06 -1.41 -0.32 0.00 0.02 0.00 0.00 54.97 53.33 2kcx s GLU 25 Cb -0.16 -0.27 -0.09 0.00 0.10 0.00 0.00 34.13 33.71 2kcx s GLU 25 CO 0.08 -0.04 2.25 0.00 0.02 0.00 0.00 175.26 177.56 2kcx s ALA 27 N 8.23 3.54 0.01 0.00 0.00 0.59 -4.86 121.76 129.28 2kcx s ALA 27 Ca 1.07 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 2kcx s ALA 27 Cb -0.64 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2kcx s ALA 27 CO 0.42 -0.50 0.91 -1.25 0.00 0.00 0.00 175.76 175.34 2kcx s PRO 28 N 1.66 4.56 -1.10 0.00 0.04 -1.26 -4.21 135.00 134.69 2kcx s PRO 28 Ca 0.08 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 2kcx s PRO 28 Cb -0.16 -3.43 -0.11 0.00 0.04 0.00 0.00 34.50 30.85 2kcx s PRO 28 CO 0.10 0.05 1.99 -0.51 0.04 0.00 0.00 177.00 178.66 2kcx s ASP 29 N 0.69 4.74 -0.15 6.66 1.11 -1.26 -4.86 116.67 123.60 2kcx s ASP 29 Ca 0.47 -1.30 -0.06 0.00 0.18 0.00 0.00 52.55 51.84 2kcx s ASP 29 Cb -0.21 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.27 2kcx s ASP 29 CO 0.26 -3.33 0.32 0.00 1.18 0.00 0.00 175.17 173.60 2kcx n SER 31 N 5.02 -0.55 -2.83 0.00 7.64 -1.26 -4.94 113.62 116.70 2kcx n SER 31 Ca -0.12 0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 2kcx n SER 31 Cb 0.51 0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 64.36 2kcx n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kcx n GLY 32 N 0.65 5.00 3.47 0.23 0.00 -1.26 -4.90 105.19 108.38 2kcx n GLY 32 Ca 0.00 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 2kcx n GLY 32 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kcx s LEU 33 N -3.06 -0.23 -0.22 0.99 0.05 -1.26 -5.15 118.68 109.81 2kcx s LEU 33 Ca 0.54 0.86 -0.29 0.00 0.05 0.00 0.00 54.13 55.29 2kcx s LEU 33 Cb 0.37 2.09 0.00 0.00 -2.05 0.00 0.00 46.19 46.61 2kcx s LEU 33 CO -0.28 -0.39 1.09 -2.16 -0.55 0.00 0.00 176.35 174.06 2kcx s PRO 34 N -0.47 4.25 -0.07 1.48 0.04 -1.26 -4.92 135.00 134.05 2kcx s PRO 34 Ca -0.06 1.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 2kcx s PRO 34 Cb -0.03 -3.67 0.05 0.00 0.04 0.00 0.00 34.50 30.90 2kcx s PRO 34 CO 0.05 -0.65 1.90 0.00 0.04 0.00 0.00 177.00 178.34 2kcx n ALA 35 N 6.38 4.10 -0.50 8.56 0.00 -1.26 -3.81 120.51 133.99 2kcx n ALA 35 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2kcx n ALA 35 Cb 0.46 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2kcx n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcx n ARG 36 N 1.11 1.12 -3.93 0.00 1.74 -1.26 -4.87 116.66 110.57 2kcx n ARG 36 Ca 0.07 -0.86 -0.19 0.00 -0.77 0.00 0.00 57.85 56.11 2kcx n ARG 36 Cb 0.53 -0.75 -0.17 0.00 -1.02 0.00 0.00 32.46 31.05 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kcx s LEU 37 N -0.41 1.02 0.54 0.55 2.96 -1.25 -5.06 118.68 117.03 2kcx s LEU 37 Ca 0.00 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.66 2kcx s LEU 37 Cb 0.00 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 2kcx s LEU 37 CO 0.00 -0.12 1.21 -1.10 -1.32 0.00 0.00 176.35 175.02 2kcx s GLN 38 N 1.25 3.30 0.04 1.98 -0.21 -1.05 -3.81 119.66 121.15 2kcx s GLN 38 Ca -0.06 1.85 0.04 0.00 0.02 0.00 0.00 55.36 57.21 2kcx s GLN 38 Cb -0.13 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 2kcx s GLN 38 CO -0.02 -0.95 -0.13 0.14 -2.12 0.00 0.00 175.29 172.21 2kcx s VAL 39 N -1.55 1.01 -0.36 1.09 -7.23 0.16 0.10 120.40 113.62 2kcx s VAL 39 Ca 0.72 -1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 59.73 2kcx s VAL 39 Cb -0.31 -0.94 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 2kcx s VAL 39 CO 0.35 -0.08 0.24 0.00 -0.31 0.00 0.00 175.10 175.30 2kcx s GLY 41 N 1.68 1.65 0.57 0.00 0.00 -0.87 -0.73 107.32 109.63 2kcx s GLY 41 Ca 0.05 -0.84 0.28 0.00 0.00 0.00 0.00 44.72 44.21 2kcx s GLY 41 CO 0.10 -0.38 2.01 1.76 0.00 0.00 0.00 173.10 176.58 2kcx h SER 42 N -0.82 0.00 0.94 1.64 0.02 -0.55 0.85 113.55 115.63 2kcx h SER 42 Ca -0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 2kcx h SER 42 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2kcx h SER 42 CO 0.62 0.00 -0.22 -0.78 -1.14 0.00 0.00 176.83 175.31 2kcx h ASP 43 N 0.00 0.00 0.00 3.07 3.58 -1.92 -3.47 116.42 117.68 2kcx h ASP 43 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kcx h ASP 43 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kcx h ASP 43 CO -0.00 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 2kcx n GLY 44 N 0.16 0.88 3.82 -0.78 0.00 0.29 -5.09 105.19 104.47 2kcx n GLY 44 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2kcx n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcx s ALA 45 N -2.00 3.71 -0.51 4.61 0.00 -1.26 -4.84 121.76 121.47 2kcx s ALA 45 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 2kcx s ALA 45 Cb 0.00 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.37 2kcx s ALA 45 CO 0.00 0.64 0.90 0.99 0.00 0.00 0.00 175.76 178.30 2kcx s THR 46 N -1.07 4.46 0.21 0.00 2.01 -1.26 -2.04 115.64 117.96 2kcx s THR 46 Ca 0.18 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 2kcx s THR 46 Cb -0.12 -4.48 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 2kcx s THR 46 CO 0.07 -0.98 0.61 -0.31 -0.69 0.00 0.00 174.62 173.32 2kcx s TYR 47 N 3.76 3.52 0.59 4.92 2.02 0.36 -4.91 117.35 127.61 2kcx s TYR 47 Ca 0.31 1.08 0.30 0.00 -0.37 0.00 0.00 57.07 58.39 2kcx s TYR 47 Cb -0.12 -2.40 1.84 0.00 -0.40 0.00 0.00 41.96 40.87 2kcx s TYR 47 CO 0.21 0.31 2.25 0.07 -1.57 0.00 0.00 175.55 176.83 2kcx h ARG 48 N 3.03 0.00 -2.39 -0.62 0.11 -1.90 0.48 114.38 113.09 2kcx h ARG 48 Ca -0.48 0.00 0.17 0.00 0.10 0.00 0.00 59.98 59.77 2kcx h ARG 48 Cb 1.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.20 2kcx h ARG 48 CO 0.67 0.00 0.50 0.16 0.10 0.00 0.00 179.97 181.40 2kcx s ASP 49 N -6.12 -0.13 0.41 0.08 1.47 -1.25 -2.54 116.67 108.60 2kcx s ASP 49 Ca -0.05 -0.49 0.19 0.00 1.18 0.00 0.00 52.55 53.38 2kcx s ASP 49 Cb 0.15 0.50 0.88 0.00 -0.34 0.00 0.00 42.92 44.11 2kcx s ASP 49 CO 0.54 -0.94 1.84 -0.08 0.68 0.00 0.00 175.17 177.21 2kcx h GLU 50 N 2.00 0.00 -0.07 2.11 4.81 -1.81 -1.88 114.58 119.73 2kcx h GLU 50 Ca -0.25 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 2kcx h GLU 50 Cb 1.23 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.62 2kcx h GLU 50 CO 0.28 0.31 -0.90 0.00 -0.73 0.00 0.00 179.01 177.97 2kcx h GLU 52 N 0.43 0.79 -0.12 0.00 4.57 -1.89 0.14 114.58 118.50 2kcx h GLU 52 Ca -0.09 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2kcx h GLU 52 Cb 1.54 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 2kcx h GLU 52 CO 0.18 0.52 -0.11 1.25 -1.18 0.00 0.00 179.01 179.66 2kcx h LEU 53 N 0.81 -0.36 -0.97 1.64 6.46 -1.29 0.24 115.31 121.85 2kcx h LEU 53 Ca 0.25 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2kcx h LEU 53 Cb -0.02 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2kcx h LEU 53 CO -0.08 -0.15 0.00 0.03 -0.62 0.00 0.00 178.44 177.61 2kcx h ARG 54 N -0.14 0.00 -0.04 1.25 3.08 -1.16 -0.92 114.38 116.46 2kcx h ARG 54 Ca 0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 2kcx h ARG 54 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2kcx h ARG 54 CO -0.20 0.00 -0.77 0.00 -1.07 0.00 0.00 179.97 177.93 2kcx h ALA 55 N 2.16 0.60 0.00 0.04 0.00 0.34 -3.24 119.26 119.16 2kcx h ALA 55 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 2kcx h ALA 55 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kcx h ALA 55 CO 0.00 0.80 -0.48 0.00 0.00 0.00 0.00 179.25 179.58 2kcx h ALA 56 N 0.97 0.77 0.00 0.00 0.00 0.11 -3.15 119.26 117.97 2kcx h ALA 56 Ca -0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kcx h ALA 56 Cb 1.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kcx h ALA 56 CO 0.13 0.60 -0.00 0.07 0.00 0.00 0.00 179.25 180.04 2kcx h ARG 57 N 0.00 0.00 0.00 0.00 0.11 -1.24 0.89 114.38 114.14 2kcx h ARG 57 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kcx h ARG 57 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2kcx h ARG 57 CO 0.06 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.13 2kcx s ARG 59 N -3.39 3.86 0.00 0.00 3.52 0.31 -4.75 118.95 118.49 2kcx s ARG 59 Ca 0.04 -2.31 0.00 0.00 -0.13 0.00 0.00 55.73 53.33 2kcx s ARG 59 Cb 0.09 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.59 2kcx s ARG 59 CO 0.49 -1.67 0.00 0.41 -0.81 0.00 0.00 175.30 173.72 2kcx n GLY 60 N 4.50 1.57 3.07 8.12 0.00 -1.26 -4.83 105.19 116.36 2kcx n GLY 60 Ca 0.28 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2kcx n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kcx s HIS 61 N 0.00 3.44 -0.18 1.61 3.76 -1.24 -4.93 115.29 117.75 2kcx s HIS 61 Ca 0.00 -2.75 0.28 0.00 -0.15 0.00 0.00 55.06 52.44 2kcx s HIS 61 Cb 0.00 -3.12 1.24 0.00 1.11 0.00 0.00 32.58 31.81 2kcx s HIS 61 CO 0.00 -0.87 1.83 -1.00 -0.85 0.00 0.00 174.74 173.85 2kcx h PRO 62 N 7.24 0.00 -0.00 8.40 0.13 -1.59 -2.76 132.00 143.42 2kcx h PRO 62 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2kcx h PRO 62 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kcx h PRO 62 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 2kcx n ASP 63 N -2.53 0.32 -4.58 1.44 8.00 -1.26 -4.86 116.55 113.09 2kcx n ASP 63 Ca 0.01 -1.11 -0.45 0.00 0.71 0.00 0.00 54.79 53.95 2kcx n ASP 63 Cb 0.20 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kcx n LEU 64 N -0.75 3.08 -4.63 0.64 7.94 -1.04 -4.95 117.00 117.29 2kcx n LEU 64 Ca 0.23 0.39 -0.24 0.00 -1.11 0.00 0.00 56.01 55.28 2kcx n LEU 64 Cb 0.16 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.57 2kcx n LEU 64 CO 0.18 -0.56 -0.30 -0.44 -1.11 0.00 0.00 177.39 175.16 2kcx s SER 65 N 7.31 4.23 -0.20 1.96 0.01 -1.26 -4.83 113.70 120.92 2kcx s SER 65 Ca 1.01 -0.94 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 2kcx s SER 65 Cb -0.51 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 2kcx s SER 65 CO 0.41 -0.21 0.24 0.54 0.41 0.00 0.00 173.24 174.63 2kcx s VAL 66 N -2.49 5.32 -0.05 3.43 0.11 -1.26 0.25 120.40 125.71 2kcx s VAL 66 Ca 0.34 0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.57 2kcx s VAL 66 Cb -0.01 -3.58 -0.29 0.00 -1.53 0.00 0.00 36.38 30.97 2kcx s VAL 66 CO 0.19 0.36 0.94 0.24 -3.33 0.00 0.00 175.10 173.50 2kcx h MET 67 N 7.03 0.28 -2.02 1.54 2.86 -1.19 -3.47 114.93 119.96 2kcx h MET 67 Ca -0.39 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 56.78 2kcx h MET 67 Cb 1.16 0.14 -0.20 0.00 0.06 0.00 0.00 31.60 32.77 2kcx h MET 67 CO 0.72 1.16 0.15 1.52 1.06 0.00 0.00 176.91 181.53 2kcx s TYR 68 N -2.63 -0.71 -0.69 -0.22 1.13 -1.22 -5.05 117.35 107.96 2kcx s TYR 68 Ca -0.14 1.47 -0.27 0.00 -1.41 0.00 0.00 57.07 56.72 2kcx s TYR 68 Cb 0.01 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 2kcx s TYR 68 CO 0.81 -0.50 1.50 1.03 -2.51 0.00 0.00 175.55 175.88 2kcx s ARG 69 N -0.48 2.98 0.00 -3.49 0.52 -1.26 -1.09 118.95 116.13 2kcx s ARG 69 Ca -0.06 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2kcx s ARG 69 Cb -0.02 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.18 2kcx s ARG 69 CO 0.06 -2.37 0.00 0.41 0.02 0.00 0.00 175.30 173.42 2kcx n GLY 70 N 5.51 -2.07 3.75 -3.53 0.00 0.12 -4.88 105.19 104.08 2kcx n GLY 70 Ca 0.10 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 2kcx n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kcx s ARG 71 N -1.82 4.75 -0.67 1.61 0.52 -1.26 -1.96 118.95 120.12 2kcx s ARG 71 Ca 0.00 1.40 -0.26 0.00 -0.52 0.00 0.00 55.73 56.35 2kcx s ARG 71 Cb 0.00 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 2kcx s ARG 71 CO 0.00 0.43 2.32 0.00 0.02 0.00 0.00 175.30 178.07 2kcx s ARG 73 N 8.32 2.54 0.00 0.00 1.70 -1.26 -4.99 118.95 125.27 2kcx s ARG 73 Ca 0.90 -1.43 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2kcx s ARG 73 Cb -0.14 -3.69 0.00 0.00 -0.57 0.00 0.00 34.95 30.56 2kcx s ARG 73 CO 0.15 -0.90 0.33 1.17 -1.08 0.00 0.00 175.30 174.97