#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 3.46 -0.41 -3.46 1.11 -1.26 -5.04 116.67 111.07 2kcx s ASP 2 Ca 0.00 -0.85 -0.13 0.00 0.18 0.00 0.00 52.55 51.75 2kcx s ASP 2 Cb 0.00 -1.45 0.04 0.00 1.07 0.00 0.00 42.92 42.58 2kcx s ASP 2 CO 0.00 -0.07 0.28 -0.94 1.18 0.00 0.00 175.17 175.63 2kcx s SER 3 N 1.27 5.93 -0.19 0.27 1.04 -1.26 -4.87 113.70 115.89 2kcx s SER 3 Ca 0.01 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 2kcx s SER 3 Cb -0.15 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 2kcx s SER 3 CO -0.10 -0.48 0.17 0.00 0.98 0.00 0.00 173.24 173.81 2kcx s ASP 5 N 0.34 6.81 0.00 0.00 2.15 -1.26 -3.86 116.67 120.84 2kcx s ASP 5 Ca 0.10 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2kcx s ASP 5 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2kcx s ASP 5 CO -0.00 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2kcx n GLY 6 N 4.17 0.27 3.50 2.66 0.00 -1.26 -4.96 105.19 109.57 2kcx n GLY 6 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.63 4.97 -0.50 1.61 1.01 -1.25 -5.03 120.40 119.58 2kcx s VAL 7 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2kcx s VAL 7 Cb 0.00 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2kcx s VAL 7 CO 0.00 -0.52 1.04 -0.70 0.00 0.00 0.00 175.10 174.92 2kcx s GLU 8 N 2.44 3.57 -0.12 2.72 2.12 -1.26 -4.91 118.70 123.25 2kcx s GLU 8 Ca 0.17 0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.64 2kcx s GLU 8 Cb -0.16 -3.95 0.03 0.00 0.26 0.00 0.00 34.13 30.32 2kcx s GLU 8 CO 0.16 -1.38 0.32 0.00 -0.54 0.00 0.00 175.26 173.82 2kcx n GLY 10 N 3.11 -1.66 3.56 0.00 0.00 0.80 -4.78 105.19 106.22 2kcx n GLY 10 Ca -0.15 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 2.33 0.00 1.61 0.04 -1.26 -3.36 135.00 134.37 2kcx s PRO 11 Ca 0.00 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2kcx s PRO 11 Cb 0.00 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.56 2kcx s PRO 11 CO 0.00 -3.61 0.00 0.41 0.04 0.00 0.00 177.00 173.84 2kcx n GLY 12 N 6.81 1.30 2.90 0.56 0.00 -1.26 -5.02 105.19 110.48 2kcx n GLY 12 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.43 0.04 -0.02 1.61 1.02 -1.21 -0.51 119.74 120.23 2kcx s LYS 13 Ca 0.00 0.09 0.07 0.00 0.02 0.00 0.00 55.97 56.16 2kcx s LYS 13 Cb 0.00 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2kcx s LYS 13 CO 0.00 -0.04 -0.24 0.00 -0.92 0.00 0.00 175.35 174.16 2kcx s ALA 14 N 0.23 2.26 -0.13 5.17 0.00 -0.44 -0.14 121.76 128.72 2kcx s ALA 14 Ca -0.02 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2kcx s ALA 14 Cb -0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2kcx s ALA 14 CO -0.01 0.54 0.20 0.00 0.00 0.00 0.00 175.76 176.49 2kcx s ARG 16 N -0.42 0.09 -0.58 0.00 1.70 0.84 -4.68 118.95 115.90 2kcx s ARG 16 Ca 0.15 0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.32 2kcx s ARG 16 Cb -0.13 -0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.25 2kcx s ARG 16 CO 0.04 -0.06 1.41 -1.64 -1.08 0.00 0.00 175.30 173.97 2kcx s MET 17 N 0.38 3.27 -0.28 3.89 -1.94 -1.26 -0.95 119.30 122.41 2kcx s MET 17 Ca -0.03 0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 54.33 2kcx s MET 17 Cb -0.04 -4.13 0.04 0.00 2.01 0.00 0.00 34.83 32.70 2kcx s MET 17 CO -0.01 -1.97 -0.01 -0.51 -0.01 0.00 0.00 175.02 172.50 2kcx s LEU 18 N 6.11 3.62 -0.95 -0.03 1.43 0.30 -4.61 118.68 124.56 2kcx s LEU 18 Ca 0.51 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2kcx s LEU 18 Cb -0.11 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2kcx s LEU 18 CO 0.24 -0.20 0.11 0.61 0.23 0.00 0.00 176.35 177.34 2kcx n GLY 19 N 4.68 -0.07 3.09 -3.19 0.00 -1.26 -2.15 105.19 106.29 2kcx n GLY 19 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.07 1.80 3.39 -0.02 0.00 -1.26 -5.00 105.19 103.03 2kcx n GLY 20 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.03 3.44 -0.22 1.61 0.52 -0.91 -5.07 118.95 118.28 2kcx s ARG 21 Ca 0.00 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 2kcx s ARG 21 Cb 0.00 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2kcx s ARG 21 CO 0.00 0.20 1.55 -1.25 0.02 0.00 0.00 175.30 175.82 2kcx s PRO 22 N 0.40 3.86 -0.12 3.54 0.04 -1.26 -0.54 135.00 140.92 2kcx s PRO 22 Ca -0.09 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 2kcx s PRO 22 Cb -0.16 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.37 2kcx s PRO 22 CO 0.05 -1.21 -0.09 1.03 0.04 0.00 0.00 177.00 176.83 2kcx s ARG 23 N 4.49 3.32 -0.26 4.56 0.52 -0.13 -4.91 118.95 126.54 2kcx s ARG 23 Ca 0.68 -0.60 -0.09 0.00 -0.52 0.00 0.00 55.73 55.20 2kcx s ARG 23 Cb -0.24 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2kcx s ARG 23 CO 0.27 0.33 0.13 0.00 0.02 0.00 0.00 175.30 176.05 2kcx s GLU 25 N 1.68 3.27 -0.16 0.00 0.41 0.16 -4.80 118.70 119.26 2kcx s GLU 25 Ca 0.07 -0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 53.96 2kcx s GLU 25 Cb -0.16 -3.00 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2kcx s GLU 25 CO 0.07 0.67 1.00 0.00 -0.49 0.00 0.00 175.26 176.51 2kcx s ALA 27 N 2.47 3.67 0.55 0.00 0.00 0.34 -4.91 121.76 123.87 2kcx s ALA 27 Ca 0.46 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 2kcx s ALA 27 Cb -0.17 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 2kcx s ALA 27 CO 0.13 0.28 1.06 -1.25 0.00 0.00 0.00 175.76 175.98 2kcx s PRO 28 N -0.17 3.48 0.00 0.00 0.04 -1.26 -4.72 135.00 132.37 2kcx s PRO 28 Ca 0.18 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2kcx s PRO 28 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2kcx s PRO 28 CO 0.06 -0.69 2.06 -0.40 0.04 0.00 0.00 177.00 178.07 2kcx n ASP 29 N -1.55 4.89 -4.56 6.66 5.75 -1.26 -4.84 116.55 121.64 2kcx n ASP 29 Ca 0.09 -2.31 -0.38 0.00 -0.01 0.00 0.00 54.79 52.19 2kcx n ASP 29 Cb 0.52 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kcx s SER 31 N 5.71 0.24 -0.46 0.00 0.15 -1.26 -4.87 113.70 113.21 2kcx s SER 31 Ca 0.52 -0.00 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 2kcx s SER 31 Cb -0.02 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2kcx s SER 31 CO -0.07 -0.08 0.37 0.61 1.20 0.00 0.00 173.24 175.27 2kcx n GLY 32 N 3.87 0.44 3.39 9.45 0.00 -1.26 -5.06 105.19 116.03 2kcx n GLY 32 Ca -0.24 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.04 0.55 -0.25 0.99 0.05 -1.26 -5.12 118.68 110.61 2kcx s LEU 33 Ca 0.18 -0.60 -0.38 0.00 0.05 0.00 0.00 54.13 53.38 2kcx s LEU 33 Cb -0.08 1.67 -0.14 0.00 -2.05 0.00 0.00 46.19 45.59 2kcx s LEU 33 CO 0.23 -0.93 1.83 -2.65 -0.55 0.00 0.00 176.35 174.27 2kcx n PRO 34 N -0.25 1.38 -0.00 1.48 -0.02 -1.26 -4.84 135.00 131.48 2kcx n PRO 34 Ca -0.11 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2kcx n PRO 34 Cb 0.63 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 2kcx n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcx n ALA 35 N 6.16 3.22 0.00 3.55 0.00 -1.26 -1.45 120.51 130.74 2kcx n ALA 35 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kcx n ALA 35 Cb 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.25 1.97 -3.13 0.00 1.85 -1.26 -4.80 116.66 110.03 2kcx n ARG 36 Ca 0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.46 2kcx n ARG 36 Cb 0.16 -0.86 -0.07 0.00 -1.05 0.00 0.00 32.46 30.64 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 -2.41 4.06 0.58 2.89 0.20 -1.26 -4.86 118.68 117.88 2kcx s LEU 37 Ca 0.00 0.66 -0.20 0.00 0.69 0.00 0.00 54.13 55.28 2kcx s LEU 37 Cb 0.00 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 2kcx s LEU 37 CO 0.00 -0.36 1.25 -1.10 -0.29 0.00 0.00 176.35 175.85 2kcx s GLN 38 N 2.48 3.01 0.09 1.98 -0.21 -1.15 -4.21 119.66 121.65 2kcx s GLN 38 Ca 0.25 1.96 0.06 0.00 0.02 0.00 0.00 55.36 57.65 2kcx s GLN 38 Cb -0.15 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 2kcx s GLN 38 CO 0.09 -1.21 -0.15 0.14 -2.12 0.00 0.00 175.29 172.04 2kcx s VAL 39 N -1.48 1.24 -0.36 1.09 -7.23 -0.63 0.11 120.40 113.14 2kcx s VAL 39 Ca 0.76 -1.49 -0.13 0.00 -1.81 0.00 0.00 61.98 59.31 2kcx s VAL 39 Cb -0.34 -1.29 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 2kcx s VAL 39 CO 0.38 -0.29 0.25 0.00 -0.31 0.00 0.00 175.10 175.12 2kcx s GLY 41 N 1.69 1.54 0.00 0.00 0.00 -0.17 -1.54 107.32 108.85 2kcx s GLY 41 Ca 0.05 -0.64 0.09 0.00 0.00 0.00 0.00 44.72 44.22 2kcx s GLY 41 CO 0.10 -0.43 1.26 -1.14 0.00 0.00 0.00 173.10 172.89 2kcx n SER 42 N -2.35 0.00 -0.03 1.64 3.41 0.14 -1.22 113.62 115.21 2kcx n SER 42 Ca 0.02 0.45 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 2kcx n SER 42 Cb 0.56 -0.47 0.74 0.00 -0.26 0.00 0.00 64.21 64.78 2kcx n SER 42 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kcx n ASP 43 N -1.47 0.12 0.00 4.04 2.03 -1.26 -4.90 116.55 115.11 2kcx n ASP 43 Ca 0.02 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.01 2kcx n ASP 43 Cb 0.10 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 1.26 0.65 3.46 0.27 0.00 -0.36 -5.07 105.19 105.41 2kcx n GLY 44 Ca 0.15 -0.23 -0.30 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 2.61 -0.32 4.61 0.00 -1.25 -4.96 121.76 120.45 2kcx s ALA 45 Ca 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 2kcx s ALA 45 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2kcx s ALA 45 CO 0.00 0.58 0.24 0.99 0.00 0.00 0.00 175.76 177.57 2kcx s THR 46 N -1.05 5.28 0.25 0.00 2.01 -1.26 -1.00 115.64 119.86 2kcx s THR 46 Ca 0.16 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.09 2kcx s THR 46 Cb -0.10 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2kcx s THR 46 CO 0.08 0.05 0.43 -0.31 -0.69 0.00 0.00 174.62 174.17 2kcx s TYR 47 N 1.77 3.48 0.45 4.92 1.51 0.21 -4.92 117.35 124.78 2kcx s TYR 47 Ca 0.07 0.29 0.15 0.00 -1.01 0.00 0.00 57.07 56.56 2kcx s TYR 47 Cb -0.17 -1.82 1.08 0.00 -0.11 0.00 0.00 41.96 40.94 2kcx s TYR 47 CO 0.11 0.32 2.01 0.00 -1.11 0.00 0.00 175.55 176.88 2kcx h ARG 48 N 1.53 0.32 -2.80 -0.62 3.08 -1.93 -1.66 114.38 112.31 2kcx h ARG 48 Ca -0.49 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.61 2kcx h ARG 48 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2kcx h ARG 48 CO 0.65 0.21 0.37 0.16 -1.07 0.00 0.00 179.97 180.30 2kcx s ASP 49 N -6.38 -0.06 0.21 7.04 1.47 -1.26 -2.91 116.67 114.78 2kcx s ASP 49 Ca -0.07 -0.85 0.07 0.00 1.18 0.00 0.00 52.55 52.88 2kcx s ASP 49 Cb 0.19 0.70 0.13 0.00 -0.34 0.00 0.00 42.92 43.60 2kcx s ASP 49 CO 0.74 -1.36 1.47 -0.08 0.68 0.00 0.00 175.17 176.62 2kcx h GLU 50 N 2.00 0.07 -0.49 2.11 4.81 -1.42 -1.79 114.58 119.86 2kcx h GLU 50 Ca -0.28 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2kcx h GLU 50 Cb 1.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2kcx h GLU 50 CO 0.35 0.80 -0.01 0.00 -0.73 0.00 0.00 179.01 179.42 2kcx h GLU 52 N 0.77 -0.32 -0.26 0.00 4.57 -1.85 0.13 114.58 117.63 2kcx h GLU 52 Ca 0.15 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 2kcx h GLU 52 Cb 0.47 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 2kcx h GLU 52 CO 0.02 -0.21 -0.18 1.25 -1.18 0.00 0.00 179.01 178.71 2kcx h LEU 53 N -0.33 -0.60 -1.09 1.64 5.85 -0.86 -0.89 115.31 119.03 2kcx h LEU 53 Ca 0.03 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2kcx h LEU 53 Cb 0.36 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2kcx h LEU 53 CO -0.12 -0.22 -0.37 0.03 -0.34 0.00 0.00 178.44 177.41 2kcx h ARG 54 N -0.17 0.00 -0.04 1.25 3.08 -0.67 -0.32 114.38 117.51 2kcx h ARG 54 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2kcx h ARG 54 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2kcx h ARG 54 CO -0.36 0.37 -0.02 0.00 -1.07 0.00 0.00 179.97 178.90 2kcx h ALA 55 N 1.63 0.05 -0.19 0.04 0.00 -0.24 -2.41 119.26 118.13 2kcx h ALA 55 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kcx h ALA 55 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kcx h ALA 55 CO 0.05 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.16 2kcx h ALA 56 N 0.62 1.79 0.07 0.00 0.00 -0.97 -0.21 119.26 120.56 2kcx h ALA 56 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kcx h ALA 56 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kcx h ALA 56 CO 0.00 0.18 -0.10 -0.09 0.00 0.00 0.00 179.25 179.24 2kcx h ARG 57 N 0.26 -0.20 -0.05 0.00 2.43 -0.90 -2.08 114.38 113.85 2kcx h ARG 57 Ca 0.07 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 2kcx h ARG 57 Cb 0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2kcx h ARG 57 CO -0.01 -0.13 -0.59 0.00 -1.51 0.00 0.00 179.97 177.73 2kcx h ARG 59 N 0.11 -0.07 0.00 0.00 2.43 -0.82 -3.43 114.38 112.60 2kcx h ARG 59 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kcx h ARG 59 Cb 1.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2kcx h ARG 59 CO 0.09 -0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 2kcx n GLY 60 N -1.10 0.68 2.37 2.80 0.00 -0.81 -5.05 105.19 104.08 2kcx n GLY 60 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 0.22 0.30 1.61 8.25 -0.50 -4.98 115.22 120.12 2kcx n HIS 61 Ca 0.00 -3.60 0.17 0.00 -0.26 0.00 0.00 57.72 54.02 2kcx n HIS 61 Cb 0.34 -0.15 0.92 0.00 1.12 0.00 0.00 29.99 32.21 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 4.83 0.00 0.00 -0.41 0.13 -1.80 -1.13 132.00 133.62 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 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kcx h PRO 62 CO 0.49 0.04 -0.38 -0.40 -0.23 0.00 0.00 178.00 177.53 2kcx n ASP 63 N -3.50 0.69 -4.61 1.44 5.75 -1.26 -4.88 116.55 110.18 2kcx n ASP 63 Ca -0.02 0.27 -0.43 0.00 -0.01 0.00 0.00 54.79 54.59 2kcx n ASP 63 Cb 0.15 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kcx s LEU 64 N -4.18 3.68 0.16 -2.12 2.96 -0.43 -4.91 118.68 113.86 2kcx s LEU 64 Ca 0.08 1.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 2kcx s LEU 64 Cb 0.14 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 2kcx s LEU 64 CO 0.67 -1.62 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.58 2kcx s SER 65 N 6.30 1.59 0.01 3.68 0.01 -1.26 -4.82 113.70 119.21 2kcx s SER 65 Ca 0.87 -1.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2kcx s SER 65 Cb -0.30 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2kcx s SER 65 CO 0.34 -0.43 1.01 0.54 0.41 0.00 0.00 173.24 175.10 2kcx s VAL 66 N -3.45 4.77 -0.15 3.43 0.11 -1.26 0.28 120.40 124.12 2kcx s VAL 66 Ca 0.20 1.99 -0.14 0.00 -2.93 0.00 0.00 61.98 61.10 2kcx s VAL 66 Cb 0.04 -4.27 -0.11 0.00 -1.53 0.00 0.00 36.38 30.51 2kcx s VAL 66 CO 0.02 0.15 0.17 0.24 -3.33 0.00 0.00 175.10 172.36 2kcx h MET 67 N 6.80 0.00 -2.74 1.54 2.86 -1.57 -3.47 114.93 118.36 2kcx h MET 67 Ca -0.41 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.11 2kcx h MET 67 Cb 1.22 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.64 2kcx h MET 67 CO 0.76 0.47 -0.23 1.52 1.06 0.00 0.00 176.91 180.48 2kcx s TYR 68 N -2.09 -0.45 -0.05 -0.22 1.13 -1.24 -5.08 117.35 109.35 2kcx s TYR 68 Ca -0.15 1.11 -0.30 0.00 -1.41 0.00 0.00 57.07 56.31 2kcx s TYR 68 Cb 0.01 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2kcx s TYR 68 CO 0.36 -0.22 1.19 1.03 -2.51 0.00 0.00 175.55 175.40 2kcx s ARG 69 N 0.21 4.36 0.00 -3.49 0.52 -1.26 -2.40 118.95 116.89 2kcx s ARG 69 Ca -0.00 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 2kcx s ARG 69 Cb -0.03 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.90 2kcx s ARG 69 CO 0.01 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.30 2kcx n GLY 70 N 3.35 3.39 3.77 -3.53 0.00 0.12 -4.91 105.19 107.37 2kcx n GLY 70 Ca 0.11 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.84 4.21 -0.79 1.61 0.52 -1.26 -2.23 118.95 118.17 2kcx s ARG 71 Ca 0.00 2.43 -0.28 0.00 -0.52 0.00 0.00 55.73 57.35 2kcx s ARG 71 Cb 0.00 -3.02 -0.16 0.00 0.52 0.00 0.00 34.95 32.28 2kcx s ARG 71 CO 0.00 -0.42 2.57 0.00 0.02 0.00 0.00 175.30 177.47 2kcx s ARG 73 N 8.67 3.17 0.00 0.00 1.70 -1.26 -5.12 118.95 126.11 2kcx s ARG 73 Ca 1.20 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 2kcx s ARG 73 Cb -0.80 -2.48 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 2kcx s ARG 73 CO 0.39 0.12 0.00 1.63 -1.08 0.00 0.00 175.30 176.36