#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 4.96 -0.25 -3.46 1.11 -1.26 -4.91 116.67 112.86 2kcx s ASP 2 Ca 0.00 -1.59 -0.11 0.00 0.18 0.00 0.00 52.55 51.03 2kcx s ASP 2 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2kcx s ASP 2 CO 0.00 -3.15 0.19 -0.44 1.18 0.00 0.00 175.17 172.95 2kcx s SER 3 N 6.67 6.12 -0.21 0.27 0.01 -1.26 -4.93 113.70 120.36 2kcx s SER 3 Ca 0.69 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.95 2kcx s SER 3 Cb -0.01 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 2kcx s SER 3 CO 0.13 0.02 0.22 0.00 0.41 0.00 0.00 173.24 174.02 2kcx s ASP 5 N 0.77 6.53 0.00 0.00 2.15 -1.26 -4.34 116.67 120.52 2kcx s ASP 5 Ca 0.11 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.33 2kcx s ASP 5 Cb -0.13 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2kcx s ASP 5 CO 0.03 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 2kcx n GLY 6 N 4.69 1.33 3.64 2.66 0.00 -1.26 -4.93 105.19 111.33 2kcx n GLY 6 Ca 0.04 0.00 -0.42 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 3.48 -0.39 1.61 1.01 -1.26 -4.98 120.40 119.87 2kcx s VAL 7 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 2kcx s VAL 7 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.01 2kcx s VAL 7 CO 0.00 -0.12 0.22 -1.61 0.00 0.00 0.00 175.10 173.59 2kcx s GLU 8 N 4.52 2.65 0.00 2.72 2.02 -1.26 -4.84 118.70 124.51 2kcx s GLU 8 Ca 0.78 -1.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.44 2kcx s GLU 8 Cb -0.32 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.19 2kcx s GLU 8 CO 0.32 -0.85 -0.01 0.00 0.02 0.00 0.00 175.26 174.74 2kcx n GLY 10 N 2.69 -0.74 3.57 0.00 0.00 -0.73 -4.73 105.19 105.25 2kcx n GLY 10 Ca -0.15 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2kcx n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kcx s PRO 11 N -2.00 2.52 -0.40 1.61 0.02 -1.26 -3.74 135.00 131.76 2kcx s PRO 11 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 61.00 60.48 2kcx s PRO 11 Cb 0.00 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.41 2kcx s PRO 11 CO 0.00 -3.58 0.00 0.41 -0.33 0.00 0.00 177.00 173.50 2kcx n GLY 12 N 6.54 0.65 3.08 0.52 0.00 -1.26 -4.99 105.19 109.73 2kcx n GLY 12 Ca 0.42 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.70 0.23 -0.04 1.61 1.02 -1.10 -2.43 119.74 117.32 2kcx s LYS 13 Ca 0.00 0.40 0.06 0.00 0.02 0.00 0.00 55.97 56.45 2kcx s LYS 13 Cb 0.00 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2kcx s LYS 13 CO 0.00 -0.09 -0.23 0.00 -0.92 0.00 0.00 175.35 174.11 2kcx s ALA 14 N 0.60 2.25 -0.25 5.17 0.00 -0.98 -1.77 121.76 126.78 2kcx s ALA 14 Ca -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2kcx s ALA 14 Cb -0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2kcx s ALA 14 CO -0.03 0.48 0.16 0.00 0.00 0.00 0.00 175.76 176.37 2kcx s ARG 16 N 1.36 1.21 -0.64 0.00 1.70 -0.36 -4.84 118.95 117.38 2kcx s ARG 16 Ca 0.07 -1.54 -0.27 0.00 -0.47 0.00 0.00 55.73 53.52 2kcx s ARG 16 Cb -0.15 -0.85 0.01 0.00 -0.57 0.00 0.00 34.95 33.39 2kcx s ARG 16 CO 0.07 0.11 1.47 -1.64 -1.08 0.00 0.00 175.30 174.22 2kcx s MET 17 N -3.71 3.10 -0.18 3.89 -1.94 -1.26 -2.05 119.30 117.15 2kcx s MET 17 Ca 0.20 0.22 -0.02 0.00 -1.71 0.00 0.00 55.69 54.38 2kcx s MET 17 Cb 0.01 -4.21 0.05 0.00 2.01 0.00 0.00 34.83 32.70 2kcx s MET 17 CO 0.04 -2.21 0.02 -0.51 -0.01 0.00 0.00 175.02 172.35 2kcx s LEU 18 N 6.64 1.28 -0.81 -0.03 1.43 -1.20 -4.82 118.68 121.17 2kcx s LEU 18 Ca 0.49 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2kcx s LEU 18 Cb -0.10 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2kcx s LEU 18 CO 0.20 -0.28 0.69 0.61 0.23 0.00 0.00 176.35 177.80 2kcx n GLY 19 N 5.01 -0.03 4.96 -3.19 0.00 -1.26 -3.74 105.19 106.94 2kcx n GLY 19 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.27 1.27 3.81 -0.02 0.00 -1.26 -4.92 105.19 102.80 2kcx n GLY 20 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 4.02 0.07 1.61 0.52 -1.25 -4.98 118.95 118.95 2kcx s ARG 21 Ca 0.00 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2kcx s ARG 21 Cb 0.00 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 2kcx s ARG 21 CO 0.00 0.58 1.26 -1.25 0.02 0.00 0.00 175.30 175.91 2kcx s PRO 22 N -0.73 4.39 0.09 3.54 0.04 -1.26 -3.25 135.00 137.82 2kcx s PRO 22 Ca 0.24 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.21 2kcx s PRO 22 Cb -0.16 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2kcx s PRO 22 CO 0.13 -0.33 -0.15 -0.98 0.04 0.00 0.00 177.00 175.71 2kcx s ARG 23 N 1.14 0.91 0.01 4.56 1.70 -0.87 -4.87 118.95 121.54 2kcx s ARG 23 Ca 0.61 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 2kcx s ARG 23 Cb -0.32 -0.94 -0.04 0.00 -0.57 0.00 0.00 34.95 33.08 2kcx s ARG 23 CO 0.29 0.21 0.08 0.00 -1.08 0.00 0.00 175.30 174.80 2kcx s GLU 25 N -1.86 0.82 -1.01 0.00 -1.05 -0.93 -4.97 118.70 109.70 2kcx s GLU 25 Ca 0.24 -1.13 -0.25 0.00 -0.15 0.00 0.00 54.97 53.67 2kcx s GLU 25 Cb -0.12 0.29 -0.15 0.00 -0.44 0.00 0.00 34.13 33.72 2kcx s GLU 25 CO 0.16 -0.24 2.11 0.00 0.95 0.00 0.00 175.26 178.24 2kcx s ALA 27 N 14.02 2.41 -0.62 0.00 0.00 -1.02 -4.87 121.76 131.68 2kcx s ALA 27 Ca 0.79 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 2kcx s ALA 27 Cb -0.06 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2kcx s ALA 27 CO 0.12 -0.45 1.73 -1.25 0.00 0.00 0.00 175.76 175.91 2kcx s PRO 28 N 1.29 2.80 -0.56 0.00 0.04 -1.26 -2.72 135.00 134.59 2kcx s PRO 28 Ca 0.04 0.50 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 2kcx s PRO 28 Cb -0.14 -4.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.01 2kcx s PRO 28 CO -0.11 -2.54 2.24 -0.51 0.04 0.00 0.00 177.00 176.12 2kcx s ASP 29 N 7.05 4.65 -0.47 6.66 1.11 -1.26 -4.92 116.67 129.49 2kcx s ASP 29 Ca 0.62 0.74 0.04 0.00 0.18 0.00 0.00 52.55 54.12 2kcx s ASP 29 Cb -0.12 -2.51 0.13 0.00 1.07 0.00 0.00 42.92 41.48 2kcx s ASP 29 CO 0.21 -2.81 0.22 0.00 1.18 0.00 0.00 175.17 173.96 2kcx s SER 31 N 0.04 5.06 0.00 0.00 0.01 -1.26 -4.72 113.70 112.83 2kcx s SER 31 Ca 0.16 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2kcx s SER 31 Cb -0.24 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2kcx s SER 31 CO -0.02 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2kcx n GLY 32 N -1.34 1.29 3.78 3.44 0.00 -1.26 -4.91 105.19 106.18 2kcx n GLY 32 Ca -0.01 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.10 -0.16 0.99 0.05 -1.26 -4.98 118.68 117.41 2kcx s LEU 33 Ca 0.00 2.15 -0.29 0.00 0.05 0.00 0.00 54.13 56.04 2kcx s LEU 33 Cb 0.00 -4.19 -0.02 0.00 -2.05 0.00 0.00 46.19 39.92 2kcx s LEU 33 CO 0.00 -0.65 1.37 -2.16 -0.55 0.00 0.00 176.35 174.37 2kcx s PRO 34 N -2.55 4.16 -0.05 1.48 0.04 -1.26 -4.90 135.00 131.92 2kcx s PRO 34 Ca 0.60 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.43 2kcx s PRO 34 Cb -0.25 -3.84 0.27 0.00 0.04 0.00 0.00 34.50 30.72 2kcx s PRO 34 CO 0.31 -0.82 1.07 0.00 0.04 0.00 0.00 177.00 177.60 2kcx n ALA 35 N 6.95 2.75 -1.21 8.56 0.00 -1.26 -3.51 120.51 132.79 2kcx n ALA 35 Ca 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 53.01 2kcx n ALA 35 Cb 0.45 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 0.26 0.55 -5.26 0.00 1.74 -1.26 -4.77 116.66 107.92 2kcx n ARG 36 Ca 0.10 -1.03 -0.31 0.00 -0.77 0.00 0.00 57.85 55.83 2kcx n ARG 36 Cb 0.42 -0.68 -0.16 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.45 2.10 0.31 0.55 1.98 -1.21 -4.92 118.68 117.04 2kcx s LEU 37 Ca 0.03 -0.49 -0.29 0.00 -2.89 0.00 0.00 54.13 50.50 2kcx s LEU 37 Cb 0.03 -1.37 -0.11 0.00 0.66 0.00 0.00 46.19 45.40 2kcx s LEU 37 CO 0.00 0.27 1.44 -1.10 -1.89 0.00 0.00 176.35 175.07 2kcx s GLN 38 N -0.30 4.23 0.11 1.98 -0.21 -1.21 -3.62 119.66 120.64 2kcx s GLN 38 Ca 0.00 2.39 0.06 0.00 0.02 0.00 0.00 55.36 57.84 2kcx s GLN 38 Cb -0.13 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 2kcx s GLN 38 CO 0.02 -0.42 -0.16 0.14 -2.12 0.00 0.00 175.29 172.76 2kcx s VAL 39 N -0.60 1.38 -0.21 1.09 -7.23 -0.32 -0.74 120.40 113.77 2kcx s VAL 39 Ca 0.55 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 2kcx s VAL 39 Cb -0.43 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 2kcx s VAL 39 CO 0.52 -0.28 0.12 0.00 -0.31 0.00 0.00 175.10 175.15 2kcx s GLY 41 N 0.54 1.93 0.48 0.00 0.00 -0.31 -0.42 107.32 109.54 2kcx s GLY 41 Ca 0.07 -0.84 0.16 0.00 0.00 0.00 0.00 44.72 44.12 2kcx s GLY 41 CO 0.00 -0.80 2.03 0.23 0.00 0.00 0.00 173.10 174.56 2kcx h SER 42 N 2.39 0.20 0.32 1.64 0.87 -0.94 0.21 113.55 118.25 2kcx h SER 42 Ca -0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2kcx h SER 42 Cb 1.18 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2kcx h SER 42 CO 0.71 0.12 -0.01 -0.78 -0.53 0.00 0.00 176.83 176.34 2kcx h ASP 43 N 0.22 0.00 0.00 6.23 3.58 -1.89 -3.46 116.42 121.11 2kcx h ASP 43 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2kcx h ASP 43 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2kcx h ASP 43 CO -0.03 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 2kcx n GLY 44 N -0.73 1.12 3.36 -0.78 0.00 0.06 -5.11 105.19 103.12 2kcx n GLY 44 Ca -0.02 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 2.46 -0.16 4.61 0.00 -1.24 -4.94 121.76 120.49 2kcx s ALA 45 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2kcx s ALA 45 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2kcx s ALA 45 CO 0.00 0.41 0.36 0.99 0.00 0.00 0.00 175.76 177.52 2kcx s THR 46 N -0.19 5.25 0.17 0.00 2.01 -1.26 -1.16 115.64 120.47 2kcx s THR 46 Ca -0.01 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.72 2kcx s THR 46 Cb -0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2kcx s THR 46 CO 0.03 0.33 0.07 -0.31 -0.69 0.00 0.00 174.62 174.06 2kcx s TYR 47 N 0.76 3.01 0.31 4.92 2.02 -0.23 -4.94 117.35 123.19 2kcx s TYR 47 Ca 0.19 -0.07 0.37 0.00 -0.37 0.00 0.00 57.07 57.19 2kcx s TYR 47 Cb -0.14 -1.45 1.74 0.00 -0.40 0.00 0.00 41.96 41.71 2kcx s TYR 47 CO 0.06 0.52 2.12 0.00 -1.57 0.00 0.00 175.55 176.69 2kcx h ARG 48 N 2.54 0.00 -2.13 -0.62 2.47 -1.87 -0.83 114.38 113.93 2kcx h ARG 48 Ca -0.47 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.30 2kcx h ARG 48 Cb 1.20 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.35 2kcx h ARG 48 CO 0.61 0.00 0.42 0.16 0.56 0.00 0.00 179.97 181.72 2kcx s ASP 49 N -5.52 -0.44 0.40 7.04 1.47 -1.24 -3.31 116.67 115.07 2kcx s ASP 49 Ca -0.01 0.23 0.06 0.00 1.18 0.00 0.00 52.55 54.01 2kcx s ASP 49 Cb 0.10 0.42 0.82 0.00 -0.34 0.00 0.00 42.92 43.92 2kcx s ASP 49 CO 0.50 -0.59 2.05 -0.08 0.68 0.00 0.00 175.17 177.73 2kcx h GLU 50 N 2.32 0.59 -0.77 2.11 4.81 -1.74 -1.03 114.58 120.88 2kcx h GLU 50 Ca -0.23 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2kcx h GLU 50 Cb 1.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 2kcx h GLU 50 CO 0.33 0.39 0.51 0.00 -0.73 0.00 0.00 179.01 179.51 2kcx h GLU 52 N 0.95 1.07 -0.25 0.00 4.81 -1.60 0.07 114.58 119.64 2kcx h GLU 52 Ca 0.30 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2kcx h GLU 52 Cb 0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2kcx h GLU 52 CO -0.08 1.03 0.12 1.25 -0.73 0.00 0.00 179.01 180.60 2kcx h LEU 53 N 0.98 0.18 -0.79 1.64 6.46 -0.88 0.89 115.31 123.79 2kcx h LEU 53 Ca 0.18 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 2kcx h LEU 53 Cb 0.53 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2kcx h LEU 53 CO 0.03 0.14 0.19 0.03 -0.62 0.00 0.00 178.44 178.21 2kcx h ARG 54 N 0.26 1.10 -0.56 1.25 -0.00 -1.01 -1.35 114.38 114.07 2kcx h ARG 54 Ca 0.10 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.98 59.31 2kcx h ARG 54 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 29.82 2kcx h ARG 54 CO -0.07 0.95 0.25 0.00 0.00 0.00 0.00 179.97 181.11 2kcx h ALA 55 N 1.15 0.73 -0.45 0.04 0.00 -0.62 0.99 119.26 121.10 2kcx h ALA 55 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2kcx h ALA 55 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kcx h ALA 55 CO -0.00 0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.76 2kcx h ALA 56 N 1.09 1.52 -0.58 0.00 0.00 -0.61 -0.37 119.26 120.32 2kcx h ALA 56 Ca 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2kcx h ALA 56 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kcx h ALA 56 CO -0.02 0.38 0.05 -0.09 0.00 0.00 0.00 179.25 179.57 2kcx h ARG 57 N 0.63 0.98 0.00 0.00 1.12 -0.61 -2.75 114.38 113.76 2kcx h ARG 57 Ca 0.16 -0.29 -0.03 0.00 -1.11 0.00 0.00 59.98 58.71 2kcx h ARG 57 Cb 0.08 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2kcx h ARG 57 CO -0.02 0.96 -0.14 0.00 -3.11 0.00 0.00 179.97 177.66 2kcx h ARG 59 N 0.00 0.47 0.00 0.00 2.43 -0.79 -3.45 114.38 113.04 2kcx h ARG 59 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2kcx h ARG 59 Cb 0.32 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2kcx h ARG 59 CO 0.02 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 2kcx n GLY 60 N -0.84 0.00 2.65 2.80 0.00 -0.98 -5.12 105.19 103.69 2kcx n GLY 60 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.50 0.24 1.61 8.25 -0.73 -4.94 115.22 121.15 2kcx n HIS 61 Ca 0.00 -3.88 0.08 0.00 -0.26 0.00 0.00 57.72 53.66 2kcx n HIS 61 Cb 0.00 -0.26 0.61 0.00 1.12 0.00 0.00 29.99 31.46 2kcx n HIS 61 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kcx h PRO 62 N 5.35 0.00 0.00 -0.41 0.11 -1.92 -2.10 132.00 133.03 2kcx h PRO 62 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 2kcx h PRO 62 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2kcx h PRO 62 CO 0.58 0.13 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.98 2kcx h ASP 63 N 0.00 0.00 -3.06 -2.05 5.19 -1.95 -3.43 116.42 111.12 2kcx h ASP 63 Ca -0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 2kcx h ASP 63 Cb 0.26 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 2kcx h ASP 63 CO 0.02 0.08 1.10 -0.22 -3.12 0.00 0.00 179.24 177.09 2kcx s LEU 64 N -6.83 3.67 0.21 1.55 2.96 -0.79 -4.85 118.68 114.61 2kcx s LEU 64 Ca -0.02 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 55.06 2kcx s LEU 64 Cb 0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2kcx s LEU 64 CO 0.55 -1.39 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.63 2kcx s SER 65 N 4.16 2.39 -0.01 3.68 0.01 -1.26 -4.89 113.70 117.79 2kcx s SER 65 Ca 0.65 -1.06 -0.21 0.00 1.31 0.00 0.00 55.95 56.65 2kcx s SER 65 Cb -0.18 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 2kcx s SER 65 CO 0.31 -0.25 0.60 0.54 0.41 0.00 0.00 173.24 174.84 2kcx s VAL 66 N -3.08 4.92 -0.15 3.43 0.11 -1.26 -0.27 120.40 124.10 2kcx s VAL 66 Ca 0.23 1.25 -0.11 0.00 -2.93 0.00 0.00 61.98 60.42 2kcx s VAL 66 Cb 0.01 -3.93 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2kcx s VAL 66 CO 0.07 0.41 -0.15 0.23 -3.33 0.00 0.00 175.10 172.32 2kcx n MET 67 N 2.77 0.47 -3.61 1.54 2.81 0.43 -4.79 117.12 116.74 2kcx n MET 67 Ca -0.07 0.52 -0.07 0.00 -1.81 0.00 0.00 57.70 56.27 2kcx n MET 67 Cb 0.51 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 2kcx n MET 67 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2kcx s TYR 68 N -2.28 -0.30 -0.37 2.03 -0.85 -1.22 -5.03 117.35 109.33 2kcx s TYR 68 Ca -0.17 0.05 -0.29 0.00 -0.52 0.00 0.00 57.07 56.15 2kcx s TYR 68 Cb 0.03 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.97 2kcx s TYR 68 CO 0.26 -0.79 1.35 1.03 -1.52 0.00 0.00 175.55 175.88 2kcx s ARG 69 N -3.41 3.72 0.00 -3.49 0.52 -1.26 -1.04 118.95 113.99 2kcx s ARG 69 Ca 0.07 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 2kcx s ARG 69 Cb -0.02 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2kcx s ARG 69 CO -0.04 -1.38 0.00 0.41 0.02 0.00 0.00 175.30 174.30 2kcx n GLY 70 N 4.77 4.23 3.74 -3.53 0.00 0.08 -4.91 105.19 109.57 2kcx n GLY 70 Ca 0.15 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2kcx n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kcx s ARG 71 N -2.88 4.48 -0.54 1.61 3.52 -1.26 -1.32 118.95 122.56 2kcx s ARG 71 Ca 0.00 1.88 -0.26 0.00 -0.13 0.00 0.00 55.73 57.22 2kcx s ARG 71 Cb 0.00 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 2kcx s ARG 71 CO 0.00 -0.10 2.45 0.00 -0.81 0.00 0.00 175.30 176.83 2kcx s ARG 73 N 8.37 3.07 0.00 0.00 1.70 -1.26 -4.95 118.95 125.88 2kcx s ARG 73 Ca 1.02 -0.53 0.17 0.00 -0.47 0.00 0.00 55.73 55.91 2kcx s ARG 73 Cb -0.27 -2.71 0.13 0.00 -0.57 0.00 0.00 34.95 31.54 2kcx s ARG 73 CO 0.28 0.52 1.04 1.17 -1.08 0.00 0.00 175.30 177.23