#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 -0.51 0.04 6.43 1.47 -1.26 -5.06 116.67 117.78 2kcx s ASP 2 Ca 0.00 0.46 -0.06 0.00 1.18 0.00 0.00 52.55 54.13 2kcx s ASP 2 Cb 0.00 0.44 -0.01 0.00 -0.34 0.00 0.00 42.92 43.01 2kcx s ASP 2 CO 0.00 -0.54 0.12 -0.94 0.68 0.00 0.00 175.17 174.49 2kcx s SER 3 N -1.44 0.15 -0.19 2.11 1.04 -1.26 -4.69 113.70 109.42 2kcx s SER 3 Ca -0.05 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 2kcx s SER 3 Cb -0.00 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2kcx s SER 3 CO 0.03 -0.53 0.13 0.00 0.98 0.00 0.00 173.24 173.84 2kcx s ASP 5 N 0.26 6.89 0.00 0.00 2.15 -1.26 -4.38 116.67 120.33 2kcx s ASP 5 Ca 0.08 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.15 2kcx s ASP 5 Cb -0.11 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kcx s ASP 5 CO -0.02 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 2kcx n GLY 6 N 3.48 2.31 3.77 2.66 0.00 -1.26 -4.98 105.19 111.17 2kcx n GLY 6 Ca 0.02 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.10 2.64 -0.49 1.61 1.01 -1.26 -4.99 120.40 118.83 2kcx s VAL 7 Ca 0.00 0.64 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 2kcx s VAL 7 Cb 0.00 -3.41 0.09 0.00 0.00 0.00 0.00 36.38 33.06 2kcx s VAL 7 CO 0.00 0.15 0.41 -1.61 0.00 0.00 0.00 175.10 174.05 2kcx s GLU 8 N -1.74 2.92 -0.17 2.72 2.02 -1.26 -4.98 118.70 118.22 2kcx s GLU 8 Ca 0.50 -1.49 -0.15 0.00 0.02 0.00 0.00 54.97 53.85 2kcx s GLU 8 Cb -0.41 -4.14 0.04 0.00 0.10 0.00 0.00 34.13 29.73 2kcx s GLU 8 CO 0.53 -1.12 0.44 0.00 0.02 0.00 0.00 175.26 175.13 2kcx n GLY 10 N 3.01 2.70 0.06 0.00 0.00 -0.13 -4.69 105.19 106.14 2kcx n GLY 10 Ca -0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2kcx n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kcx h PRO 11 N 0.00 0.02 -0.25 1.61 0.11 -2.01 -3.36 132.00 128.12 2kcx h PRO 11 Ca 0.00 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 2kcx h PRO 11 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kcx h PRO 11 CO 0.00 0.55 -0.23 0.78 -0.21 0.00 0.00 178.00 178.89 2kcx h GLY 12 N -0.52 0.66 -4.93 -0.55 0.00 -1.97 -3.41 103.07 92.36 2kcx h GLY 12 Ca 0.00 -0.66 -0.50 0.00 0.00 0.00 0.00 47.33 46.17 2kcx h GLY 12 CO 0.00 0.60 -0.82 0.54 0.00 0.00 0.00 176.54 176.87 2kcx s LYS 13 N -4.37 1.18 -0.13 4.80 1.02 -1.26 -0.91 119.74 120.07 2kcx s LYS 13 Ca -0.13 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 2kcx s LYS 13 Cb 0.08 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 2kcx s LYS 13 CO 0.81 0.31 -0.03 0.00 -0.92 0.00 0.00 175.35 175.52 2kcx s ALA 14 N -0.46 3.10 -0.15 5.17 0.00 0.68 -0.95 121.76 129.15 2kcx s ALA 14 Ca 0.05 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 2kcx s ALA 14 Cb -0.06 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2kcx s ALA 14 CO -0.00 0.36 0.13 0.00 0.00 0.00 0.00 175.76 176.24 2kcx s ARG 16 N -0.54 1.07 -0.61 0.00 0.52 0.36 -4.29 118.95 115.46 2kcx s ARG 16 Ca 0.12 -1.51 -0.22 0.00 -0.52 0.00 0.00 55.73 53.61 2kcx s ARG 16 Cb -0.12 -0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.15 2kcx s ARG 16 CO 0.02 -0.11 0.87 -1.64 0.02 0.00 0.00 175.30 174.46 2kcx s MET 17 N -3.90 3.13 -0.30 3.54 -1.94 -1.26 -0.13 119.30 118.44 2kcx s MET 17 Ca 0.22 -0.85 -0.08 0.00 -1.71 0.00 0.00 55.69 53.27 2kcx s MET 17 Cb 0.06 -4.19 -0.00 0.00 2.01 0.00 0.00 34.83 32.70 2kcx s MET 17 CO 0.03 -1.65 0.12 -0.51 -0.01 0.00 0.00 175.02 173.00 2kcx s LEU 18 N 3.61 3.97 -1.41 -0.03 1.02 0.82 -4.60 118.68 122.06 2kcx s LEU 18 Ca 0.20 -0.59 -0.10 0.00 0.02 0.00 0.00 54.13 53.66 2kcx s LEU 18 Cb -0.18 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.12 2kcx s LEU 18 CO 0.11 -0.19 1.11 0.61 0.02 0.00 0.00 176.35 178.01 2kcx n GLY 19 N 4.93 -0.52 2.60 -3.19 0.00 -1.26 -1.25 105.19 106.51 2kcx n GLY 19 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.87 0.57 3.12 -0.02 0.00 -1.26 -5.01 105.19 100.71 2kcx n GLY 20 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 2.37 -0.48 1.61 0.52 -0.38 -5.10 118.95 117.18 2kcx s ARG 21 Ca 0.00 -0.64 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 2kcx s ARG 21 Cb 0.00 -1.85 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 2kcx s ARG 21 CO 0.00 0.10 1.61 -1.25 0.02 0.00 0.00 175.30 175.77 2kcx s PRO 22 N 0.52 3.22 0.00 3.54 0.04 -1.26 -0.13 135.00 140.93 2kcx s PRO 22 Ca -0.16 0.83 0.06 0.00 0.04 0.00 0.00 61.00 61.76 2kcx s PRO 22 Cb -0.17 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.16 2kcx s PRO 22 CO 0.06 -2.01 -0.16 1.03 0.04 0.00 0.00 177.00 175.95 2kcx s ARG 23 N 5.76 2.27 -0.05 4.56 1.81 0.82 -4.90 118.95 129.21 2kcx s ARG 23 Ca 0.64 -0.85 -0.02 0.00 -1.72 0.00 0.00 55.73 53.78 2kcx s ARG 23 Cb -0.15 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 2kcx s ARG 23 CO 0.28 0.58 0.08 0.00 -0.68 0.00 0.00 175.30 175.55 2kcx s GLU 25 N -1.36 0.54 0.08 0.00 -1.05 -0.62 -4.98 118.70 111.32 2kcx s GLU 25 Ca 0.19 -0.67 -0.35 0.00 -0.15 0.00 0.00 54.97 53.99 2kcx s GLU 25 Cb -0.12 0.21 -0.15 0.00 -0.44 0.00 0.00 34.13 33.64 2kcx s GLU 25 CO 0.09 -0.13 1.56 0.00 0.95 0.00 0.00 175.26 177.72 2kcx s ALA 27 N 1.32 3.61 -1.72 0.00 0.00 -0.09 -4.70 121.76 120.18 2kcx s ALA 27 Ca 0.83 -0.77 0.31 0.00 0.00 0.00 0.00 51.96 52.33 2kcx s ALA 27 Cb -0.78 -2.18 1.72 0.00 0.00 0.00 0.00 23.12 21.88 2kcx s ALA 27 CO 0.44 0.04 2.14 -0.35 0.00 0.00 0.00 175.76 178.03 2kcx n PRO 28 N 3.79 0.71 -0.88 0.00 -0.04 -1.26 -4.78 135.00 132.54 2kcx n PRO 28 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kcx n PRO 28 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2kcx n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kcx n ASP 29 N -1.14 -4.10 -4.55 3.54 2.03 -1.26 -4.72 116.55 106.35 2kcx n ASP 29 Ca 0.19 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.09 2kcx n ASP 29 Cb 0.17 -2.92 -0.03 0.00 -0.72 0.00 0.00 41.12 37.63 2kcx n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kcx n SER 31 N 8.89 0.00 -2.53 0.00 3.41 -1.26 -4.96 113.62 117.17 2kcx n SER 31 Ca 0.25 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 2kcx n SER 31 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 2kcx n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kcx n GLY 32 N 0.98 4.54 3.22 5.00 0.00 -1.26 -4.91 105.19 112.75 2kcx n GLY 32 Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.48 2.50 -0.10 0.99 0.05 -1.26 -5.12 118.68 113.26 2kcx s LEU 33 Ca 0.57 -0.97 -0.29 0.00 0.05 0.00 0.00 54.13 53.48 2kcx s LEU 33 Cb 0.39 -0.28 -0.04 0.00 -2.05 0.00 0.00 46.19 44.20 2kcx s LEU 33 CO -0.24 -0.34 1.58 -2.84 -0.55 0.00 0.00 176.35 173.95 2kcx s PRO 34 N -3.57 4.12 -1.33 1.48 0.02 -1.26 -4.92 135.00 129.53 2kcx s PRO 34 Ca 0.13 2.00 -0.09 0.00 0.02 0.00 0.00 61.00 63.07 2kcx s PRO 34 Cb 0.02 -3.95 0.12 0.00 0.02 0.00 0.00 34.50 30.71 2kcx s PRO 34 CO -0.01 -0.90 2.14 0.00 -0.33 0.00 0.00 177.00 177.90 2kcx n ALA 35 N 7.28 5.98 -0.13 -1.55 0.00 -1.26 -4.34 120.51 126.49 2kcx n ALA 35 Ca 0.17 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.45 2kcx n ALA 35 Cb 0.44 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 3.39 1.63 -3.92 0.00 5.12 -1.26 -5.06 116.66 116.56 2kcx n ARG 36 Ca 0.50 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 56.14 2kcx n ARG 36 Cb 0.32 -0.14 -0.16 0.00 -1.16 0.00 0.00 32.46 31.32 2kcx n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kcx s LEU 37 N 0.00 1.60 0.77 0.55 2.96 -1.26 -5.05 118.68 118.26 2kcx s LEU 37 Ca 0.00 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 2kcx s LEU 37 Cb 0.00 -0.97 0.05 0.00 0.50 0.00 0.00 46.19 45.77 2kcx s LEU 37 CO 0.00 -0.15 1.11 0.00 -1.32 0.00 0.00 176.35 175.99 2kcx n GLN 38 N 4.86 0.34 -3.95 1.98 6.02 -1.15 -3.32 117.38 122.16 2kcx n GLN 38 Ca -0.13 0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 2kcx n GLN 38 Cb 0.48 -2.36 -0.11 0.00 1.02 0.00 0.00 30.24 29.27 2kcx n GLN 38 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2kcx s VAL 39 N -1.98 0.09 -0.33 5.09 -7.23 -0.40 -0.23 120.40 115.42 2kcx s VAL 39 Ca 0.74 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 60.04 2kcx s VAL 39 Cb -0.31 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 2kcx s VAL 39 CO 0.50 -0.41 0.23 0.00 -0.31 0.00 0.00 175.10 175.11 2kcx s GLY 41 N 1.73 1.56 0.56 0.00 0.00 -1.08 -2.38 107.32 107.70 2kcx s GLY 41 Ca 0.06 -0.57 0.26 0.00 0.00 0.00 0.00 44.72 44.48 2kcx s GLY 41 CO 0.11 -0.34 2.02 1.48 0.00 0.00 0.00 173.10 176.36 2kcx h SER 42 N 0.01 0.00 -0.32 1.64 4.64 -0.71 -0.24 113.55 118.58 2kcx h SER 42 Ca -0.46 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2kcx h SER 42 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2kcx h SER 42 CO 0.61 0.00 0.15 -0.78 -0.87 0.00 0.00 176.83 175.94 2kcx h ASP 43 N 0.00 0.22 0.00 4.97 3.58 -1.85 -3.48 116.42 119.86 2kcx h ASP 43 Ca 0.18 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kcx h ASP 43 Cb 0.84 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kcx h ASP 43 CO -0.00 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 2kcx n GLY 44 N -1.19 1.47 3.75 -0.78 0.00 -0.10 -5.12 105.19 103.22 2kcx n GLY 44 Ca -0.00 0.00 -0.40 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 -1.15 3.34 -0.20 4.61 0.00 -1.26 -4.80 121.76 122.30 2kcx s ALA 45 Ca 0.00 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 2kcx s ALA 45 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2kcx s ALA 45 CO 0.00 0.20 0.74 0.99 0.00 0.00 0.00 175.76 177.69 2kcx s THR 46 N -1.15 4.93 0.23 0.00 2.01 -1.26 -2.63 115.64 117.76 2kcx s THR 46 Ca 0.41 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 2kcx s THR 46 Cb -0.26 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2kcx s THR 46 CO 0.32 0.04 0.45 -0.31 -0.69 0.00 0.00 174.62 174.44 2kcx s TYR 47 N 2.19 3.48 0.51 4.92 1.51 0.55 -4.92 117.35 125.58 2kcx s TYR 47 Ca 0.33 0.50 0.27 0.00 -1.01 0.00 0.00 57.07 57.16 2kcx s TYR 47 Cb -0.16 -1.98 1.59 0.00 -0.11 0.00 0.00 41.96 41.30 2kcx s TYR 47 CO 0.11 0.31 2.16 0.00 -1.11 0.00 0.00 175.55 177.01 2kcx h ARG 48 N 2.03 0.00 -1.95 -0.62 3.08 -1.91 -1.04 114.38 113.96 2kcx h ARG 48 Ca -0.47 0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.74 2kcx h ARG 48 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.07 2kcx h ARG 48 CO 0.68 0.06 0.62 0.34 -1.07 0.00 0.00 179.97 180.60 2kcx s ASP 49 N -6.27 -0.27 0.28 7.04 2.15 -1.25 -2.92 116.67 115.42 2kcx s ASP 49 Ca -0.04 0.00 0.01 0.00 0.43 0.00 0.00 52.55 52.95 2kcx s ASP 49 Cb 0.14 0.29 0.54 0.00 -0.30 0.00 0.00 42.92 43.59 2kcx s ASP 49 CO 0.58 -0.46 1.83 -0.08 -0.17 0.00 0.00 175.17 176.87 2kcx h GLU 50 N 2.01 0.96 -0.83 4.34 4.81 -1.85 -0.81 114.58 123.19 2kcx h GLU 50 Ca -0.17 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2kcx h GLU 50 Cb 1.21 -0.22 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 2kcx h GLU 50 CO 0.28 0.63 0.43 0.00 -0.73 0.00 0.00 179.01 179.62 2kcx h GLU 52 N 0.65 0.49 0.40 0.00 4.81 -1.60 -2.98 114.58 116.36 2kcx h GLU 52 Ca 0.44 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2kcx h GLU 52 Cb 0.57 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2kcx h GLU 52 CO -0.33 1.06 -0.44 1.25 -0.73 0.00 0.00 179.01 179.82 2kcx h LEU 53 N 0.06 -1.21 -1.16 1.64 5.85 -0.69 0.11 115.31 119.91 2kcx h LEU 53 Ca -0.04 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kcx h LEU 53 Cb 1.19 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 2kcx h LEU 53 CO 0.11 -0.58 -0.27 0.03 -0.34 0.00 0.00 178.44 177.38 2kcx h ARG 54 N -0.87 0.00 -0.09 1.25 3.08 -1.44 -1.98 114.38 114.33 2kcx h ARG 54 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2kcx h ARG 54 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2kcx h ARG 54 CO -0.09 0.27 -0.33 0.00 -1.07 0.00 0.00 179.97 178.75 2kcx h ALA 55 N 1.73 0.17 -0.56 0.04 0.00 -1.35 -2.93 119.26 116.36 2kcx h ALA 55 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2kcx h ALA 55 Cb 0.74 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2kcx h ALA 55 CO 0.04 0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.89 2kcx h ALA 56 N 0.47 1.93 -0.20 0.00 0.00 -0.50 0.42 119.26 121.38 2kcx h ALA 56 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kcx h ALA 56 Cb 0.97 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2kcx h ALA 56 CO 0.07 -0.03 -0.05 -0.09 0.00 0.00 0.00 179.25 179.15 2kcx h ARG 57 N 0.46 -0.00 0.00 0.00 2.43 -1.34 -2.56 114.38 113.37 2kcx h ARG 57 Ca 0.25 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2kcx h ARG 57 Cb 0.39 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2kcx h ARG 57 CO -0.07 -0.00 -0.07 0.00 -1.51 0.00 0.00 179.97 178.31 2kcx n ARG 59 N -3.34 1.32 -0.17 0.00 1.74 -0.57 -4.72 116.66 110.92 2kcx n ARG 59 Ca -0.01 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 2kcx n ARG 59 Cb 0.25 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2kcx n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kcx n GLY 60 N 0.11 1.72 2.46 -0.13 0.00 -1.11 -5.04 105.19 103.20 2kcx n GLY 60 Ca 0.15 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.06 0.35 0.27 1.61 8.25 0.09 -4.98 115.22 119.76 2kcx n HIS 61 Ca 0.00 -3.62 0.16 0.00 -0.26 0.00 0.00 57.72 54.00 2kcx n HIS 61 Cb 0.04 -0.08 0.71 0.00 1.12 0.00 0.00 29.99 31.77 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 5.19 0.00 0.00 -0.41 0.13 -1.92 -2.47 132.00 132.52 2kcx h PRO 62 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 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 0.05 0.00 -0.44 -0.23 0.00 0.00 178.00 177.87 2kcx h ASP 63 N 0.00 0.00 -3.00 1.44 3.32 -1.93 -3.45 116.42 112.80 2kcx h ASP 63 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2kcx h ASP 63 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2kcx h ASP 63 CO 0.01 0.00 1.11 -0.22 -1.72 0.00 0.00 179.24 178.42 2kcx s LEU 64 N -5.45 3.69 0.17 1.55 2.96 -0.93 -4.74 118.68 115.93 2kcx s LEU 64 Ca 0.09 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 2kcx s LEU 64 Cb 0.08 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2kcx s LEU 64 CO 0.64 -1.39 0.01 -0.44 -1.32 0.00 0.00 176.35 173.84 2kcx s SER 65 N 4.30 1.16 -0.24 3.68 0.01 -1.26 -4.80 113.70 116.55 2kcx s SER 65 Ca 0.67 -1.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 2kcx s SER 65 Cb -0.19 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2kcx s SER 65 CO 0.31 -0.58 1.07 -0.69 0.41 0.00 0.00 173.24 173.76 2kcx s VAL 66 N -3.68 4.60 -0.11 3.43 1.01 -1.26 0.04 120.40 124.42 2kcx s VAL 66 Ca 0.24 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 64.08 2kcx s VAL 66 Cb 0.06 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2kcx s VAL 66 CO 0.04 -0.24 0.05 0.24 0.00 0.00 0.00 175.10 175.20 2kcx h MET 67 N 7.68 0.00 -2.84 2.72 2.86 -1.76 -3.46 114.93 120.13 2kcx h MET 67 Ca -0.20 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2kcx h MET 67 Cb 1.06 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.60 2kcx h MET 67 CO 0.99 0.13 0.27 1.52 1.06 0.00 0.00 176.91 180.88 2kcx s TYR 68 N -1.75 -0.47 0.20 -0.22 -0.85 -1.23 -5.08 117.35 107.95 2kcx s TYR 68 Ca -0.05 0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.45 2kcx s TYR 68 Cb 0.00 0.57 -0.08 0.00 0.38 0.00 0.00 41.96 42.83 2kcx s TYR 68 CO 0.12 -0.82 1.02 1.03 -1.52 0.00 0.00 175.55 175.38 2kcx s ARG 69 N -3.63 4.71 0.00 -3.49 0.52 -1.26 -2.75 118.95 113.05 2kcx s ARG 69 Ca 0.03 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 2kcx s ARG 69 Cb -0.01 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.17 2kcx s ARG 69 CO -0.10 0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.90 2kcx n GLY 70 N 1.77 1.07 3.70 -3.53 0.00 0.69 -4.87 105.19 104.01 2kcx n GLY 70 Ca 0.00 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.77 1.83 -0.83 1.61 3.52 -1.26 -1.60 118.95 120.44 2kcx s ARG 71 Ca 0.00 1.84 -0.21 0.00 -0.13 0.00 0.00 55.73 57.23 2kcx s ARG 71 Cb 0.00 -1.79 -0.18 0.00 -1.56 0.00 0.00 34.95 31.42 2kcx s ARG 71 CO 0.00 -2.09 2.08 0.00 -0.81 0.00 0.00 175.30 174.48 2kcx s ARG 73 N 8.07 1.96 0.00 0.00 0.52 -1.26 -5.13 118.95 123.11 2kcx s ARG 73 Ca 0.81 -1.02 0.11 0.00 -0.52 0.00 0.00 55.73 55.11 2kcx s ARG 73 Cb -0.16 -2.04 0.09 0.00 0.52 0.00 0.00 34.95 33.35 2kcx s ARG 73 CO 0.17 0.54 0.84 1.63 0.02 0.00 0.00 175.30 178.50