#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 2.81 0.34 6.43 1.01 -1.26 -5.10 116.67 120.91 2kcx s ASP 2 Ca 0.00 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 52.76 2kcx s ASP 2 Cb 0.00 -1.29 -0.01 0.00 1.01 0.00 0.00 42.92 42.63 2kcx s ASP 2 CO 0.00 0.05 0.39 -0.55 0.21 0.00 0.00 175.17 175.27 2kcx s SER 3 N 0.89 1.35 -0.21 0.27 0.15 -1.26 -5.06 113.70 109.84 2kcx s SER 3 Ca -0.07 -1.64 -0.12 0.00 0.70 0.00 0.00 55.95 54.81 2kcx s SER 3 Cb -0.15 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2kcx s SER 3 CO -0.02 -1.20 0.24 0.00 1.20 0.00 0.00 173.24 173.46 2kcx s ASP 5 N 0.81 6.42 0.00 0.00 2.15 -1.26 -4.46 116.67 120.33 2kcx s ASP 5 Ca 0.12 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.02 2kcx s ASP 5 Cb -0.13 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2kcx s ASP 5 CO 0.04 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 2kcx n GLY 6 N 4.96 1.02 3.77 2.66 0.00 -1.26 -4.94 105.19 111.40 2kcx n GLY 6 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.63 -0.49 1.61 1.01 -1.26 -4.98 120.40 118.92 2kcx s VAL 7 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 2kcx s VAL 7 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2kcx s VAL 7 CO 0.00 0.15 0.77 -1.61 0.00 0.00 0.00 175.10 174.41 2kcx s GLU 8 N -1.87 3.30 -0.06 2.72 0.41 -1.26 -4.84 118.70 117.10 2kcx s GLU 8 Ca 0.50 -0.36 -0.06 0.00 -0.41 0.00 0.00 54.97 54.65 2kcx s GLU 8 Cb -0.40 -4.00 0.02 0.00 -1.78 0.00 0.00 34.13 27.96 2kcx s GLU 8 CO 0.54 -1.22 0.17 0.00 -0.49 0.00 0.00 175.26 174.26 2kcx n GLY 10 N 3.13 -1.44 3.61 0.00 0.00 -1.25 -4.99 105.19 104.25 2kcx n GLY 10 Ca -0.14 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 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 0.53 3.65 0.00 1.61 0.04 -1.26 -3.32 135.00 136.25 2kcx s PRO 11 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2kcx s PRO 11 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2kcx s PRO 11 CO 0.00 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2kcx n GLY 12 N 4.91 1.93 3.30 0.56 0.00 -1.26 -5.05 105.19 109.58 2kcx n GLY 12 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.91 1.20 -0.12 1.61 1.02 -1.21 -0.78 119.74 120.54 2kcx s LYS 13 Ca 0.00 -1.53 -0.09 0.00 0.02 0.00 0.00 55.97 54.37 2kcx s LYS 13 Cb 0.00 -0.82 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 2kcx s LYS 13 CO 0.00 0.10 0.32 0.00 -0.92 0.00 0.00 175.35 174.85 2kcx s ALA 14 N -3.19 -0.78 -0.07 5.17 0.00 0.08 -3.87 121.76 119.09 2kcx s ALA 14 Ca 0.20 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 2kcx s ALA 14 Cb 0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2kcx s ALA 14 CO 0.04 -0.18 0.12 0.00 0.00 0.00 0.00 175.76 175.74 2kcx s ARG 16 N -1.35 0.74 -0.69 0.00 6.06 -0.04 -4.74 118.95 118.94 2kcx s ARG 16 Ca 0.19 -0.55 -0.27 0.00 -2.50 0.00 0.00 55.73 52.60 2kcx s ARG 16 Cb -0.12 -0.69 0.03 0.00 0.06 0.00 0.00 34.95 34.23 2kcx s ARG 16 CO 0.09 0.17 1.24 -1.64 -2.50 0.00 0.00 175.30 172.67 2kcx s MET 17 N -0.79 3.29 -0.18 5.12 -1.94 -1.26 -1.80 119.30 121.73 2kcx s MET 17 Ca 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.88 2kcx s MET 17 Cb -0.06 -4.13 0.04 0.00 2.01 0.00 0.00 34.83 32.69 2kcx s MET 17 CO 0.00 -1.99 -0.10 -0.51 -0.01 0.00 0.00 175.02 172.41 2kcx s LEU 18 N 5.45 1.98 -1.56 -0.03 1.43 -0.08 -4.72 118.68 121.16 2kcx s LEU 18 Ca 0.37 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2kcx s LEU 18 Cb -0.08 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.00 2kcx s LEU 18 CO 0.18 -0.13 0.30 0.61 0.23 0.00 0.00 176.35 177.54 2kcx n GLY 19 N 4.75 -0.44 2.35 -3.19 0.00 -1.26 -1.31 105.19 106.08 2kcx n GLY 19 Ca -0.15 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.26 0.45 3.25 -0.02 0.00 -1.26 -5.02 105.19 101.33 2kcx n GLY 20 Ca -0.17 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.14 2.41 -0.78 1.61 1.81 -0.43 -5.09 118.95 117.34 2kcx s ARG 21 Ca 0.00 -0.86 -0.26 0.00 -1.72 0.00 0.00 55.73 52.89 2kcx s ARG 21 Cb 0.00 -2.06 0.04 0.00 -0.45 0.00 0.00 34.95 32.48 2kcx s ARG 21 CO 0.00 0.38 1.27 -1.25 -0.68 0.00 0.00 175.30 175.02 2kcx s PRO 22 N -0.17 3.25 -0.23 3.54 0.04 -1.26 -0.90 135.00 139.27 2kcx s PRO 22 Ca -0.03 -0.46 -0.14 0.00 0.04 0.00 0.00 61.00 60.41 2kcx s PRO 22 Cb -0.13 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.98 2kcx s PRO 22 CO 0.03 -2.12 0.34 1.03 0.04 0.00 0.00 177.00 176.32 2kcx s ARG 23 N 5.41 4.09 -0.26 4.56 0.52 -0.75 -4.89 118.95 127.63 2kcx s ARG 23 Ca 0.36 0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.53 2kcx s ARG 23 Cb -0.07 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2kcx s ARG 23 CO 0.10 -0.11 0.11 0.00 0.02 0.00 0.00 175.30 175.42 2kcx s GLU 25 N 1.64 1.20 0.08 0.00 2.02 -0.32 -4.89 118.70 118.42 2kcx s GLU 25 Ca 0.07 -1.54 -0.31 0.00 0.02 0.00 0.00 54.97 53.21 2kcx s GLU 25 Cb -0.15 -0.80 -0.09 0.00 0.10 0.00 0.00 34.13 33.19 2kcx s GLU 25 CO 0.06 0.09 1.68 0.00 0.02 0.00 0.00 175.26 177.11 2kcx s ALA 27 N 2.68 3.03 -0.26 0.00 0.00 0.04 -4.85 121.76 122.39 2kcx s ALA 27 Ca 0.75 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 2kcx s ALA 27 Cb -0.41 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2kcx s ALA 27 CO 0.33 0.33 1.69 -2.14 0.00 0.00 0.00 175.76 175.96 2kcx s PRO 28 N -0.00 3.62 0.12 0.00 0.02 -1.26 -4.64 135.00 132.85 2kcx s PRO 28 Ca 0.01 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 2kcx s PRO 28 Cb -0.13 -4.10 -0.06 0.00 0.02 0.00 0.00 34.50 30.23 2kcx s PRO 28 CO 0.03 -1.51 1.06 0.34 -0.33 0.00 0.00 177.00 176.58 2kcx s ASP 29 N 4.95 7.32 -0.35 2.53 -1.08 -1.26 -4.98 116.67 123.80 2kcx s ASP 29 Ca 0.75 1.93 0.09 0.00 -0.52 0.00 0.00 52.55 54.80 2kcx s ASP 29 Cb -0.24 -2.59 0.45 0.00 -1.46 0.00 0.00 42.92 39.08 2kcx s ASP 29 CO 0.31 -0.21 1.12 0.00 0.52 0.00 0.00 175.17 176.91 2kcx n SER 31 N -0.54 0.00 -2.60 0.00 7.64 -1.26 -4.47 113.62 112.39 2kcx n SER 31 Ca 0.34 0.25 -0.27 0.00 1.01 0.00 0.00 58.87 60.20 2kcx n SER 31 Cb 0.81 -0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.87 4.27 3.40 0.23 0.00 -1.26 -4.86 105.19 108.84 2kcx n GLY 32 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.73 -0.04 0.23 0.99 0.05 -1.26 -5.16 118.68 111.77 2kcx s LEU 33 Ca 0.60 0.36 -0.30 0.00 0.05 0.00 0.00 54.13 54.84 2kcx s LEU 33 Cb 0.33 2.04 -0.09 0.00 -2.05 0.00 0.00 46.19 46.43 2kcx s LEU 33 CO -0.16 -0.60 1.14 -2.84 -0.55 0.00 0.00 176.35 173.34 2kcx s PRO 34 N -1.64 4.57 0.26 1.48 0.02 -1.26 -5.00 135.00 133.43 2kcx s PRO 34 Ca -0.10 1.83 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 2kcx s PRO 34 Cb -0.02 -3.21 -0.11 0.00 0.02 0.00 0.00 34.50 31.18 2kcx s PRO 34 CO 0.05 0.07 1.54 0.00 -0.33 0.00 0.00 177.00 178.33 2kcx s ALA 35 N -0.65 3.71 -1.03 -1.55 0.00 -1.26 -2.48 121.76 118.50 2kcx s ALA 35 Ca 0.48 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2kcx s ALA 35 Cb -0.32 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.19 2kcx s ALA 35 CO 0.39 -0.87 0.00 0.54 0.00 0.00 0.00 175.76 175.83 2kcx n ARG 36 N 2.50 -1.39 -2.68 0.00 3.00 -1.26 -4.94 116.66 111.89 2kcx n ARG 36 Ca 0.09 0.80 -0.42 0.00 -0.01 0.00 0.00 57.85 58.31 2kcx n ARG 36 Cb 0.38 -5.03 -0.03 0.00 0.00 0.00 0.00 32.46 27.78 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2kcx s LEU 37 N -2.21 3.68 0.64 0.55 1.98 -1.03 -4.79 118.68 117.49 2kcx s LEU 37 Ca 0.00 -0.26 -0.18 0.00 -2.89 0.00 0.00 54.13 50.80 2kcx s LEU 37 Cb 0.00 -2.86 -0.01 0.00 0.66 0.00 0.00 46.19 43.98 2kcx s LEU 37 CO 0.00 -1.48 1.28 -1.10 -1.89 0.00 0.00 176.35 173.16 2kcx s GLN 38 N 4.73 2.60 0.05 1.98 -0.21 -1.23 -2.37 119.66 125.21 2kcx s GLN 38 Ca 0.35 2.02 -0.03 0.00 0.02 0.00 0.00 55.36 57.72 2kcx s GLN 38 Cb -0.10 -1.86 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 2kcx s GLN 38 CO 0.20 -1.55 0.02 0.14 -2.12 0.00 0.00 175.29 171.98 2kcx s VAL 39 N -1.45 0.19 -0.23 1.09 -7.23 -1.22 0.33 120.40 111.88 2kcx s VAL 39 Ca 0.82 -1.60 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 2kcx s VAL 39 Cb -0.36 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2kcx s VAL 39 CO 0.39 -0.89 0.06 0.00 -0.31 0.00 0.00 175.10 174.35 2kcx s GLY 41 N 1.34 1.74 0.58 0.00 0.00 -0.80 -1.65 107.32 108.54 2kcx s GLY 41 Ca 0.05 -1.11 0.28 0.00 0.00 0.00 0.00 44.72 43.94 2kcx s GLY 41 CO 0.03 -0.37 2.18 0.23 0.00 0.00 0.00 173.10 175.17 2kcx h SER 42 N -1.62 0.00 1.22 1.64 0.87 0.82 0.73 113.55 117.21 2kcx h SER 42 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2kcx h SER 42 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2kcx h SER 42 CO 0.42 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 176.05 2kcx n ASP 43 N -3.88 0.72 -0.17 6.23 2.03 -1.26 -4.92 116.55 115.29 2kcx n ASP 43 Ca -0.01 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2kcx n ASP 43 Cb 0.19 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 2kcx n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcx n GLY 44 N 0.93 0.87 3.48 0.27 0.00 0.25 -5.09 105.19 105.89 2kcx n GLY 44 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.35 2.65 -0.34 4.61 0.00 -1.26 -4.91 121.76 120.16 2kcx s ALA 45 Ca 0.00 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 2kcx s ALA 45 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2kcx s ALA 45 CO 0.00 0.59 0.50 0.99 0.00 0.00 0.00 175.76 177.84 2kcx s THR 46 N -1.05 5.03 0.52 0.00 2.01 -1.26 -1.90 115.64 118.99 2kcx s THR 46 Ca 0.17 0.37 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 2kcx s THR 46 Cb -0.11 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.47 2kcx s THR 46 CO 0.08 -0.19 0.77 -0.31 -0.69 0.00 0.00 174.62 174.29 2kcx s TYR 47 N 2.37 3.13 0.27 4.92 2.02 -0.36 -4.95 117.35 124.75 2kcx s TYR 47 Ca 0.18 0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.14 2kcx s TYR 47 Cb -0.15 -2.57 0.37 0.00 -0.40 0.00 0.00 41.96 39.21 2kcx s TYR 47 CO 0.13 -0.65 1.87 0.00 -1.57 0.00 0.00 175.55 175.33 2kcx h ARG 48 N 0.13 1.00 -2.52 -0.62 2.47 -1.93 -3.24 114.38 109.67 2kcx h ARG 48 Ca -0.45 -0.14 0.14 0.00 -1.26 0.00 0.00 59.98 58.27 2kcx h ARG 48 Cb 1.27 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 29.35 2kcx h ARG 48 CO 0.57 0.78 0.48 0.16 0.56 0.00 0.00 179.97 182.52 2kcx s ASP 49 N -6.43 -0.10 0.47 7.04 1.47 -1.26 -3.49 116.67 114.37 2kcx s ASP 49 Ca -0.11 -0.60 0.16 0.00 1.18 0.00 0.00 52.55 53.18 2kcx s ASP 49 Cb 0.16 0.55 1.10 0.00 -0.34 0.00 0.00 42.92 44.39 2kcx s ASP 49 CO 0.81 -1.05 2.03 -0.08 0.68 0.00 0.00 175.17 177.55 2kcx h GLU 50 N 2.00 0.00 -0.73 2.11 4.81 -1.78 -2.14 114.58 118.85 2kcx h GLU 50 Ca -0.26 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2kcx h GLU 50 Cb 1.23 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2kcx h GLU 50 CO 0.31 0.15 0.45 0.00 -0.73 0.00 0.00 179.01 179.19 2kcx h GLU 52 N 0.88 0.64 -0.05 0.00 4.81 -1.76 -0.51 114.58 118.60 2kcx h GLU 52 Ca 0.30 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2kcx h GLU 52 Cb 0.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kcx h GLU 52 CO -0.12 0.92 0.01 1.25 -0.73 0.00 0.00 179.01 180.34 2kcx h LEU 53 N 0.53 0.08 -0.43 1.64 6.46 -1.03 0.67 115.31 123.23 2kcx h LEU 53 Ca 0.05 -0.26 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2kcx h LEU 53 Cb 0.91 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 2kcx h LEU 53 CO 0.08 0.32 0.19 0.03 -0.62 0.00 0.00 178.44 178.45 2kcx h ARG 54 N -0.17 0.38 -0.75 1.25 3.08 -1.00 -1.83 114.38 115.34 2kcx h ARG 54 Ca 0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2kcx h ARG 54 Cb 0.28 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2kcx h ARG 54 CO 0.00 0.25 0.39 0.00 -1.07 0.00 0.00 179.97 179.54 2kcx h ALA 55 N 1.24 1.28 -0.59 0.04 0.00 -0.94 -2.64 119.26 117.64 2kcx h ALA 55 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kcx h ALA 55 Cb 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2kcx h ALA 55 CO -0.15 0.57 0.36 0.00 0.00 0.00 0.00 179.25 180.03 2kcx h ALA 56 N 1.38 1.51 -0.60 0.00 0.00 0.11 0.86 119.26 122.52 2kcx h ALA 56 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2kcx h ALA 56 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2kcx h ALA 56 CO -0.04 0.43 0.32 0.00 0.00 0.00 0.00 179.25 179.96 2kcx h ARG 57 N 0.81 0.84 0.00 0.00 3.08 -1.00 0.28 114.38 118.40 2kcx h ARG 57 Ca 0.21 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2kcx h ARG 57 Cb -0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2kcx h ARG 57 CO -0.04 0.65 -0.13 0.00 -1.07 0.00 0.00 179.97 179.38 2kcx n ARG 59 N -3.15 0.63 0.00 0.00 0.63 0.29 -4.93 116.66 110.13 2kcx n ARG 59 Ca 0.03 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 2kcx n ARG 59 Cb 0.55 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.66 2kcx n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kcx n GLY 60 N 1.51 0.12 3.12 5.14 0.00 0.72 -5.04 105.19 110.76 2kcx n GLY 60 Ca -0.15 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.86 3.85 0.43 1.61 3.76 0.34 -4.92 115.29 119.50 2kcx s HIS 61 Ca 0.00 -2.96 0.28 0.00 -0.15 0.00 0.00 55.06 52.23 2kcx s HIS 61 Cb 0.00 -3.27 1.51 0.00 1.11 0.00 0.00 32.58 31.93 2kcx s HIS 61 CO 0.00 -0.76 2.10 -1.35 -0.85 0.00 0.00 174.74 173.87 2kcx h PRO 62 N 6.19 0.00 -0.01 8.40 0.11 -1.77 -2.04 132.00 142.88 2kcx h PRO 62 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2kcx h PRO 62 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2kcx h PRO 62 CO 0.84 0.10 -0.22 -3.47 -0.21 0.00 0.00 178.00 175.04 2kcx n ASP 63 N -3.64 0.97 -4.62 -2.05 2.03 -1.26 -4.90 116.55 103.09 2kcx n ASP 63 Ca -0.02 -0.88 -0.43 0.00 0.52 0.00 0.00 54.79 53.98 2kcx n ASP 63 Cb 0.22 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kcx s LEU 64 N -2.46 3.72 0.11 -2.67 2.96 -0.77 -4.98 118.68 114.59 2kcx s LEU 64 Ca 0.26 1.67 0.04 0.00 -0.22 0.00 0.00 54.13 55.88 2kcx s LEU 64 Cb 0.19 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 2kcx s LEU 64 CO 0.50 -1.54 0.09 -0.44 -1.32 0.00 0.00 176.35 173.64 2kcx s SER 65 N 5.72 5.47 -0.18 3.68 0.01 -1.26 -4.89 113.70 122.25 2kcx s SER 65 Ca 0.82 -0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.85 2kcx s SER 65 Cb -0.27 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2kcx s SER 65 CO 0.33 0.14 0.36 0.54 0.41 0.00 0.00 173.24 175.02 2kcx s VAL 66 N -1.51 5.24 -0.15 3.43 0.11 -1.26 0.14 120.40 126.40 2kcx s VAL 66 Ca 0.29 0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 59.86 2kcx s VAL 66 Cb -0.11 -3.70 -0.12 0.00 -1.53 0.00 0.00 36.38 30.92 2kcx s VAL 66 CO 0.22 0.31 0.21 0.24 -3.33 0.00 0.00 175.10 172.75 2kcx h MET 67 N 7.04 0.00 -3.47 1.54 2.86 -1.56 -3.48 114.93 117.86 2kcx h MET 67 Ca -0.39 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.15 2kcx h MET 67 Cb 1.17 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.65 2kcx h MET 67 CO 0.73 0.49 -0.34 1.52 1.06 0.00 0.00 176.91 180.38 2kcx s TYR 68 N -2.08 -0.00 0.20 -0.22 -0.85 -1.25 -5.07 117.35 108.08 2kcx s TYR 68 Ca -0.15 -0.19 -0.24 0.00 -0.52 0.00 0.00 57.07 55.97 2kcx s TYR 68 Cb 0.01 0.02 -0.08 0.00 0.38 0.00 0.00 41.96 42.29 2kcx s TYR 68 CO 0.37 -0.46 0.78 1.03 -1.52 0.00 0.00 175.55 175.75 2kcx s ARG 69 N -2.58 4.48 0.00 -3.49 0.52 -1.26 -2.32 118.95 114.30 2kcx s ARG 69 Ca -0.05 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.25 2kcx s ARG 69 Cb -0.01 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.35 2kcx s ARG 69 CO -0.04 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.19 2kcx n GLY 70 N 1.26 2.88 3.72 -3.53 0.00 0.15 -4.93 105.19 104.74 2kcx n GLY 70 Ca -0.04 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2kcx n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kcx s ARG 71 N -3.13 4.18 0.45 1.61 1.70 -1.26 -3.39 118.95 119.11 2kcx s ARG 71 Ca 0.00 2.45 -0.25 0.00 -0.47 0.00 0.00 55.73 57.46 2kcx s ARG 71 Cb 0.00 -3.11 -0.08 0.00 -0.57 0.00 0.00 34.95 31.18 2kcx s ARG 71 CO 0.00 -0.64 1.42 0.00 -1.08 0.00 0.00 175.30 175.00 2kcx s ARG 73 N -2.44 2.27 0.00 0.00 1.81 -1.26 -4.92 118.95 114.41 2kcx s ARG 73 Ca 0.61 -1.49 0.03 0.00 -1.72 0.00 0.00 55.73 53.16 2kcx s ARG 73 Cb -0.43 -3.39 0.03 0.00 -0.45 0.00 0.00 34.95 30.71 2kcx s ARG 73 CO 0.56 -0.82 0.60 1.63 -0.68 0.00 0.00 175.30 176.59