#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 6.85 -0.11 4.04 1.11 -1.26 -5.03 116.67 122.26 2kcx s ASP 2 Ca 0.00 1.51 -0.09 0.00 0.18 0.00 0.00 52.55 54.15 2kcx s ASP 2 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2kcx s ASP 2 CO 0.00 -0.88 0.19 -0.44 1.18 0.00 0.00 175.17 175.22 2kcx s SER 3 N 2.27 6.43 -0.09 0.27 0.01 -1.26 -4.95 113.70 116.39 2kcx s SER 3 Ca 0.55 0.51 0.04 0.00 1.31 0.00 0.00 55.95 58.37 2kcx s SER 3 Cb -0.20 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 2kcx s SER 3 CO 0.17 0.35 -0.23 0.00 0.41 0.00 0.00 173.24 173.94 2kcx s ASP 5 N 0.25 6.62 -1.03 0.00 1.01 -1.26 -4.24 116.67 118.02 2kcx s ASP 5 Ca -0.16 0.42 -0.03 0.00 0.71 0.00 0.00 52.55 53.49 2kcx s ASP 5 Cb -0.17 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.31 2kcx s ASP 5 CO 0.08 -1.00 0.18 0.61 0.21 0.00 0.00 175.17 175.25 2kcx n GLY 6 N 4.64 -0.49 3.46 0.21 0.00 -1.26 -4.95 105.19 106.80 2kcx n GLY 6 Ca 0.08 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.67 4.20 -0.47 1.61 1.01 -1.26 -5.08 120.40 117.74 2kcx s VAL 7 Ca 0.15 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 2kcx s VAL 7 Cb -0.08 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.43 2kcx s VAL 7 CO 0.18 0.39 0.41 -1.83 0.00 0.00 0.00 175.10 174.25 2kcx s GLU 8 N 1.26 3.00 -0.12 2.72 -1.05 -1.26 -4.99 118.70 118.26 2kcx s GLU 8 Ca 0.04 -1.24 -0.10 0.00 -0.15 0.00 0.00 54.97 53.52 2kcx s GLU 8 Cb -0.15 -4.11 0.03 0.00 -0.44 0.00 0.00 34.13 29.47 2kcx s GLU 8 CO 0.02 -1.01 0.30 0.00 0.95 0.00 0.00 175.26 175.53 2kcx n GLY 10 N 3.19 -0.87 0.31 0.00 0.00 -0.69 -4.82 105.19 102.31 2kcx n GLY 10 Ca -0.15 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.26 2kcx n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcx h PRO 11 N 0.00 0.72 0.00 1.61 0.13 -1.99 -3.34 132.00 129.13 2kcx h PRO 11 Ca 0.00 -0.08 -0.33 0.00 -0.87 0.00 0.00 66.00 64.72 2kcx h PRO 11 Cb 0.00 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 30.94 2kcx h PRO 11 CO 0.00 0.56 -2.15 0.41 -0.23 0.00 0.00 178.00 176.59 2kcx n GLY 12 N -1.21 -0.31 3.29 1.56 0.00 -1.26 -4.89 105.19 102.37 2kcx n GLY 12 Ca 0.04 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.39 1.37 0.06 1.61 1.02 -1.25 -0.43 119.74 119.72 2kcx s LYS 13 Ca -0.28 -1.07 0.08 0.00 0.02 0.00 0.00 55.97 54.71 2kcx s LYS 13 Cb 0.09 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2kcx s LYS 13 CO 0.41 0.39 -0.19 0.00 -0.92 0.00 0.00 175.35 175.04 2kcx s ALA 14 N -0.93 2.57 -0.15 5.17 0.00 0.20 -1.70 121.76 126.91 2kcx s ALA 14 Ca 0.08 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 2kcx s ALA 14 Cb -0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2kcx s ALA 14 CO 0.03 0.57 0.06 0.00 0.00 0.00 0.00 175.76 176.42 2kcx s ARG 16 N -0.16 1.88 -0.65 0.00 3.00 -0.53 -4.87 118.95 117.62 2kcx s ARG 16 Ca 0.07 -1.86 -0.26 0.00 0.00 0.00 0.00 55.73 53.68 2kcx s ARG 16 Cb -0.12 -1.78 0.04 0.00 0.00 0.00 0.00 34.95 33.09 2kcx s ARG 16 CO 0.01 0.17 1.15 -1.64 0.00 0.00 0.00 175.30 174.99 2kcx s MET 17 N -3.63 3.31 -0.42 3.54 -1.94 -1.26 -2.06 119.30 116.84 2kcx s MET 17 Ca 0.33 -0.16 -0.08 0.00 -1.71 0.00 0.00 55.69 54.06 2kcx s MET 17 Cb 0.01 -4.11 0.09 0.00 2.01 0.00 0.00 34.83 32.83 2kcx s MET 17 CO 0.17 -1.85 0.26 -0.51 -0.01 0.00 0.00 175.02 173.09 2kcx s LEU 18 N 4.97 5.23 -1.57 -0.03 2.01 0.26 -4.58 118.68 124.98 2kcx s LEU 18 Ca 0.35 -1.65 -0.03 0.00 0.01 0.00 0.00 54.13 52.82 2kcx s LEU 18 Cb -0.10 -1.96 0.00 0.00 0.01 0.00 0.00 46.19 44.14 2kcx s LEU 18 CO 0.18 -0.56 0.34 0.61 1.01 0.00 0.00 176.35 177.93 2kcx n GLY 19 N 4.86 -0.45 2.42 -3.19 0.00 -1.26 -1.12 105.19 106.44 2kcx n GLY 19 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.29 2.48 3.72 -0.02 0.00 -1.26 -5.02 105.19 103.79 2kcx n GLY 20 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.27 4.19 -0.39 1.61 0.52 -0.28 -4.99 118.95 119.35 2kcx s ARG 21 Ca 0.00 -0.16 -0.28 0.00 -0.52 0.00 0.00 55.73 54.77 2kcx s ARG 21 Cb 0.00 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2kcx s ARG 21 CO 0.00 0.25 1.06 -1.25 0.02 0.00 0.00 175.30 175.38 2kcx s PRO 22 N 0.49 3.89 -0.01 3.54 0.05 -1.26 -0.57 135.00 141.13 2kcx s PRO 22 Ca 0.10 0.78 0.07 0.00 0.05 0.00 0.00 61.00 62.00 2kcx s PRO 22 Cb -0.12 -3.81 -0.02 0.00 0.05 0.00 0.00 34.50 30.60 2kcx s PRO 22 CO 0.00 -1.08 -0.22 1.03 0.05 0.00 0.00 177.00 176.78 2kcx s ARG 23 N 3.89 1.74 -0.17 4.56 0.52 -0.87 -4.91 118.95 123.71 2kcx s ARG 23 Ca 0.45 -0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2kcx s ARG 23 Cb -0.10 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2kcx s ARG 23 CO 0.22 0.47 0.05 0.00 0.02 0.00 0.00 175.30 176.06 2kcx s GLU 25 N 0.13 1.42 -0.04 0.00 2.02 -0.44 -4.87 118.70 116.92 2kcx s GLU 25 Ca 0.04 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.10 2kcx s GLU 25 Cb -0.12 -1.29 -0.06 0.00 0.10 0.00 0.00 34.13 32.75 2kcx s GLU 25 CO 0.01 0.22 1.77 0.00 0.02 0.00 0.00 175.26 177.29 2kcx s ALA 27 N 4.40 3.10 0.04 0.00 0.00 0.42 -4.86 121.76 124.88 2kcx s ALA 27 Ca 0.79 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 2kcx s ALA 27 Cb -0.36 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2kcx s ALA 27 CO 0.34 0.52 1.06 -2.14 0.00 0.00 0.00 175.76 175.54 2kcx s PRO 28 N -0.65 4.53 -1.01 0.00 0.02 -1.26 -4.76 135.00 131.86 2kcx s PRO 28 Ca 0.10 1.56 -0.25 0.00 0.02 0.00 0.00 61.00 62.43 2kcx s PRO 28 Cb -0.12 -3.40 -0.12 0.00 0.02 0.00 0.00 34.50 30.88 2kcx s PRO 28 CO 0.02 -0.09 2.06 0.34 -0.33 0.00 0.00 177.00 179.00 2kcx s ASP 29 N 0.89 4.50 -0.57 2.53 2.15 -1.26 -4.77 116.67 120.14 2kcx s ASP 29 Ca 0.54 -0.92 0.01 0.00 0.43 0.00 0.00 52.55 52.60 2kcx s ASP 29 Cb -0.25 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.26 2kcx s ASP 29 CO 0.29 -3.50 1.82 0.00 -0.17 0.00 0.00 175.17 173.61 2kcx s SER 31 N -2.27 4.96 -0.47 0.00 0.15 -1.26 -3.91 113.70 110.89 2kcx s SER 31 Ca 0.61 -1.32 -0.01 0.00 0.70 0.00 0.00 55.95 55.93 2kcx s SER 31 Cb 0.48 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 2kcx s SER 31 CO 0.01 -3.09 0.40 0.61 1.20 0.00 0.00 173.24 172.36 2kcx n GLY 32 N 6.14 0.11 3.60 9.45 0.00 -1.26 -5.07 105.19 118.15 2kcx n GLY 32 Ca 0.43 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.82 3.06 -0.20 0.99 0.05 -1.25 -5.11 118.68 112.40 2kcx s LEU 33 Ca 0.05 -0.63 -0.29 0.00 0.05 0.00 0.00 54.13 53.31 2kcx s LEU 33 Cb -0.01 -1.66 -0.00 0.00 -2.05 0.00 0.00 46.19 42.47 2kcx s LEU 33 CO 0.30 0.06 1.14 -2.16 -0.55 0.00 0.00 176.35 175.14 2kcx s PRO 34 N -3.23 4.24 0.00 1.48 0.04 -1.26 -4.92 135.00 131.35 2kcx s PRO 34 Ca 0.28 1.49 0.26 0.00 0.04 0.00 0.00 61.00 63.07 2kcx s PRO 34 Cb -0.08 -3.70 1.12 0.00 0.04 0.00 0.00 34.50 31.88 2kcx s PRO 34 CO 0.17 -0.67 1.84 0.00 0.04 0.00 0.00 177.00 178.38 2kcx n ALA 35 N 6.47 2.20 1.02 8.56 0.00 -1.26 -2.74 120.51 134.76 2kcx n ALA 35 Ca 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2kcx n ALA 35 Cb 0.45 -1.42 0.25 0.00 0.00 0.00 0.00 19.45 18.73 2kcx n ALA 35 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kcx n ARG 36 N -1.50 0.06 -3.50 0.00 1.85 -1.26 -4.85 116.66 107.46 2kcx n ARG 36 Ca 0.06 -0.04 -0.40 0.00 -1.00 0.00 0.00 57.85 56.48 2kcx n ARG 36 Cb 0.31 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.11 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kcx s LEU 37 N -2.96 4.29 0.68 2.89 2.96 -1.11 -5.03 118.68 120.40 2kcx s LEU 37 Ca 0.12 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 2kcx s LEU 37 Cb 0.18 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 2kcx s LEU 37 CO 0.69 -0.19 1.06 -1.10 -1.32 0.00 0.00 176.35 175.48 2kcx s GLN 38 N 1.84 3.05 -0.00 1.98 -0.21 -1.25 -2.76 119.66 122.31 2kcx s GLN 38 Ca 0.09 0.93 -0.07 0.00 0.02 0.00 0.00 55.36 56.33 2kcx s GLN 38 Cb -0.17 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.84 2kcx s GLN 38 CO 0.11 -1.01 0.13 0.14 -2.12 0.00 0.00 175.29 172.54 2kcx s VAL 39 N -3.04 0.08 -0.20 1.09 -7.23 -1.02 -0.14 120.40 109.93 2kcx s VAL 39 Ca 0.58 -0.63 -0.07 0.00 -1.81 0.00 0.00 61.98 60.05 2kcx s VAL 39 Cb -0.14 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2kcx s VAL 39 CO 0.54 -0.35 0.06 0.00 -0.31 0.00 0.00 175.10 175.05 2kcx s GLY 41 N 0.78 1.47 0.55 0.00 0.00 -1.22 -0.48 107.32 108.42 2kcx s GLY 41 Ca 0.03 -1.15 0.32 0.00 0.00 0.00 0.00 44.72 43.92 2kcx s GLY 41 CO 0.02 -1.06 1.97 0.23 0.00 0.00 0.00 173.10 174.27 2kcx h SER 42 N 0.73 0.00 -0.87 1.64 0.87 -0.91 -1.41 113.55 113.60 2kcx h SER 42 Ca -0.48 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.10 2kcx h SER 42 Cb 1.24 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 2kcx h SER 42 CO 0.58 0.00 0.57 -0.78 -0.53 0.00 0.00 176.83 176.67 2kcx h ASP 43 N 0.00 0.97 0.00 6.23 3.58 -1.94 -3.47 116.42 121.79 2kcx h ASP 43 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kcx h ASP 43 Cb 0.24 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2kcx h ASP 43 CO 0.00 0.68 0.00 0.61 -2.88 0.00 0.00 179.24 177.65 2kcx n GLY 44 N -1.40 1.36 3.81 -0.78 0.00 -0.53 -5.11 105.19 102.54 2kcx n GLY 44 Ca 0.11 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.61 3.12 0.08 4.61 0.00 -1.26 -4.89 121.76 122.81 2kcx s ALA 45 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 2kcx s ALA 45 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 2kcx s ALA 45 CO 0.00 0.17 0.70 0.99 0.00 0.00 0.00 175.76 177.62 2kcx s THR 46 N -2.01 4.65 -0.02 0.00 2.01 -1.26 -3.41 115.64 115.60 2kcx s THR 46 Ca 0.58 1.50 0.00 0.00 0.31 0.00 0.00 61.69 64.08 2kcx s THR 46 Cb -0.12 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2kcx s THR 46 CO 0.16 0.46 0.02 -0.31 -0.69 0.00 0.00 174.62 174.27 2kcx s TYR 47 N -0.62 3.15 0.36 4.92 2.02 0.25 -5.00 117.35 122.43 2kcx s TYR 47 Ca 0.34 0.15 0.18 0.00 -0.37 0.00 0.00 57.07 57.37 2kcx s TYR 47 Cb -0.21 -1.72 1.18 0.00 -0.40 0.00 0.00 41.96 40.82 2kcx s TYR 47 CO 0.22 0.49 1.65 0.00 -1.57 0.00 0.00 175.55 176.34 2kcx h ARG 48 N 4.49 0.23 -2.37 -0.62 3.08 -1.94 -2.69 114.38 114.56 2kcx h ARG 48 Ca -0.50 -0.01 0.17 0.00 0.07 0.00 0.00 59.98 59.71 2kcx h ARG 48 Cb 1.18 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 2kcx h ARG 48 CO 0.58 0.15 0.51 0.16 -1.07 0.00 0.00 179.97 180.30 2kcx s ASP 49 N -4.79 -0.13 0.42 7.04 1.47 -1.26 -3.85 116.67 115.57 2kcx s ASP 49 Ca -0.09 -0.48 0.10 0.00 1.18 0.00 0.00 52.55 53.26 2kcx s ASP 49 Cb 0.31 0.49 0.92 0.00 -0.34 0.00 0.00 42.92 44.30 2kcx s ASP 49 CO 0.79 -0.93 2.01 -0.08 0.68 0.00 0.00 175.17 177.65 2kcx h GLU 50 N 2.00 0.50 -0.14 2.11 4.57 -1.75 -0.78 114.58 121.08 2kcx h GLU 50 Ca -0.25 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.75 2kcx h GLU 50 Cb 1.23 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2kcx h GLU 50 CO 0.28 0.33 -0.54 0.00 -1.18 0.00 0.00 179.01 177.90 2kcx h GLU 52 N 0.33 0.40 -0.67 0.00 4.57 -1.56 0.31 114.58 117.95 2kcx h GLU 52 Ca 0.01 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2kcx h GLU 52 Cb 1.05 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 2kcx h GLU 52 CO 0.09 0.35 0.14 1.25 -1.18 0.00 0.00 179.01 179.67 2kcx h LEU 53 N 0.34 1.04 -2.49 1.64 6.46 -1.31 0.27 115.31 121.27 2kcx h LEU 53 Ca 0.10 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2kcx h LEU 53 Cb 0.07 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.72 2kcx h LEU 53 CO -0.02 1.01 0.03 -0.09 -0.62 0.00 0.00 178.44 178.76 2kcx h ARG 54 N 1.02 0.00 0.08 1.25 9.65 -0.34 -0.78 114.38 125.26 2kcx h ARG 54 Ca 0.21 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.77 2kcx h ARG 54 Cb 0.40 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 2kcx h ARG 54 CO 0.01 0.00 -1.73 0.00 2.80 0.00 0.00 179.97 181.04 2kcx h ALA 55 N 1.97 0.49 0.00 2.80 0.00 0.38 -3.38 119.26 121.52 2kcx h ALA 55 Ca 0.01 -1.32 -0.00 0.00 0.00 0.00 0.00 54.91 53.60 2kcx h ALA 55 Cb 0.07 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kcx h ALA 55 CO -0.00 1.35 -0.02 0.00 0.00 0.00 0.00 179.25 180.58 2kcx h ALA 56 N 0.53 1.91 -0.42 0.00 0.00 0.94 0.77 119.26 122.99 2kcx h ALA 56 Ca -0.31 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.70 2kcx h ALA 56 Cb 2.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2kcx h ALA 56 CO 0.11 0.03 0.32 0.07 0.00 0.00 0.00 179.25 179.78 2kcx h ARG 57 N 0.00 0.00 0.00 0.00 0.11 -1.47 -1.07 114.38 111.94 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 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2kcx h ARG 57 CO 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 179.97 179.82 2kcx s ARG 59 N -3.22 3.07 0.00 0.00 6.06 -0.41 -4.76 118.95 119.69 2kcx s ARG 59 Ca 0.06 -2.57 0.00 0.00 -2.50 0.00 0.00 55.73 50.72 2kcx s ARG 59 Cb 0.08 -4.05 0.00 0.00 0.06 0.00 0.00 34.95 31.04 2kcx s ARG 59 CO 0.69 -1.23 0.00 0.41 -2.50 0.00 0.00 175.30 172.67 2kcx n GLY 60 N 3.59 1.77 2.60 8.12 0.00 -1.26 -4.85 105.19 115.16 2kcx n GLY 60 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2kcx n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kcx n HIS 61 N -1.71 2.89 0.24 1.61 8.25 -1.25 -4.92 115.22 120.34 2kcx n HIS 61 Ca 0.00 -4.12 0.12 0.00 -0.26 0.00 0.00 57.72 53.46 2kcx n HIS 61 Cb 0.00 -0.52 0.56 0.00 1.12 0.00 0.00 29.99 31.16 2kcx n HIS 61 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kcx h PRO 62 N 4.76 0.00 -0.61 -0.41 0.13 -1.81 -2.80 132.00 131.27 2kcx h PRO 62 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kcx h PRO 62 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kcx h PRO 62 CO 0.73 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.40 2kcx n ASP 63 N -3.35 3.30 -4.63 1.44 8.00 -1.26 -4.96 116.55 115.09 2kcx n ASP 63 Ca -0.00 -2.03 -0.43 0.00 0.71 0.00 0.00 54.79 53.05 2kcx n ASP 63 Cb 0.37 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kcx s LEU 64 N -1.05 3.98 0.32 0.64 2.96 -1.06 -4.99 118.68 119.48 2kcx s LEU 64 Ca 0.41 2.13 0.09 0.00 -0.22 0.00 0.00 54.13 56.54 2kcx s LEU 64 Cb 0.22 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 2kcx s LEU 64 CO 0.27 -1.39 0.04 -0.44 -1.32 0.00 0.00 176.35 173.51 2kcx s SER 65 N 5.56 4.39 -0.15 3.68 0.01 -1.26 -4.90 113.70 121.04 2kcx s SER 65 Ca 0.87 -0.85 -0.19 0.00 1.31 0.00 0.00 55.95 57.09 2kcx s SER 65 Cb -0.35 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2kcx s SER 65 CO 0.36 -0.20 0.53 -0.69 0.41 0.00 0.00 173.24 173.65 2kcx s VAL 66 N -2.45 5.13 -0.06 3.43 1.01 -1.26 -0.18 120.40 126.03 2kcx s VAL 66 Ca 0.35 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 2kcx s VAL 66 Cb -0.02 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.33 2kcx s VAL 66 CO 0.20 0.24 0.89 0.24 0.00 0.00 0.00 175.10 176.68 2kcx h MET 67 N 7.05 -0.17 -2.20 2.72 2.86 -1.05 -3.47 114.93 120.68 2kcx h MET 67 Ca -0.37 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.46 2kcx h MET 67 Cb 1.17 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.77 2kcx h MET 67 CO 0.75 0.30 0.54 1.52 1.06 0.00 0.00 176.91 181.08 2kcx s TYR 68 N -3.39 -0.16 0.35 -0.22 -0.85 -1.24 -5.06 117.35 106.80 2kcx s TYR 68 Ca -0.13 -0.08 -0.17 0.00 -0.52 0.00 0.00 57.07 56.17 2kcx s TYR 68 Cb 0.00 0.61 -0.09 0.00 0.38 0.00 0.00 41.96 42.85 2kcx s TYR 68 CO 0.50 -0.69 0.80 1.03 -1.52 0.00 0.00 175.55 175.66 2kcx s ARG 69 N -3.13 4.06 0.00 -3.49 3.00 -1.26 -1.81 118.95 116.33 2kcx s ARG 69 Ca 0.11 0.79 0.00 0.00 0.00 0.00 0.00 55.73 56.63 2kcx s ARG 69 Cb -0.01 -2.36 0.00 0.00 0.00 0.00 0.00 34.95 32.59 2kcx s ARG 69 CO -0.01 0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.80 2kcx n GLY 70 N -0.46 -1.34 3.90 -3.53 0.00 0.80 -4.87 105.19 99.69 2kcx n GLY 70 Ca 0.04 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 3.52 -0.34 1.61 0.52 -1.26 -3.20 118.95 119.80 2kcx s ARG 71 Ca 0.00 -0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 54.71 2kcx s ARG 71 Cb 0.00 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 2kcx s ARG 71 CO 0.00 0.61 2.13 0.00 0.02 0.00 0.00 175.30 178.06 2kcx s ARG 73 N 6.66 3.00 0.00 0.00 1.81 -1.26 -5.07 118.95 124.10 2kcx s ARG 73 Ca 0.92 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 2kcx s ARG 73 Cb -0.25 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 2kcx s ARG 73 CO 0.31 0.26 0.01 0.36 -0.68 0.00 0.00 175.30 175.56