#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 4.71 0.43 -3.46 1.01 -1.26 -5.13 116.67 112.97 2kcx s ASP 2 Ca 0.00 -1.07 -0.12 0.00 0.71 0.00 0.00 52.55 52.07 2kcx s ASP 2 Cb 0.00 -0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.83 2kcx s ASP 2 CO 0.00 -0.88 0.81 -0.44 0.21 0.00 0.00 175.17 174.88 2kcx s SER 3 N -4.17 6.54 -0.18 0.27 0.01 -1.26 -5.05 113.70 109.85 2kcx s SER 3 Ca 0.40 1.22 -0.11 0.00 1.31 0.00 0.00 55.95 58.76 2kcx s SER 3 Cb -0.01 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2kcx s SER 3 CO 0.23 -0.44 0.19 0.00 0.41 0.00 0.00 173.24 173.63 2kcx s ASP 5 N 0.30 6.51 0.00 0.00 2.15 -1.26 -3.71 116.67 120.66 2kcx s ASP 5 Ca 0.11 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.96 2kcx s ASP 5 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2kcx s ASP 5 CO 0.00 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.33 2kcx n GLY 6 N 4.78 0.53 3.68 2.66 0.00 -1.26 -4.92 105.19 110.65 2kcx n GLY 6 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.74 5.30 -0.46 1.61 1.01 -1.24 -5.06 120.40 119.81 2kcx s VAL 7 Ca 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 2kcx s VAL 7 Cb 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.86 2kcx s VAL 7 CO 0.00 0.33 0.37 -1.61 0.00 0.00 0.00 175.10 174.19 2kcx s GLU 8 N 1.00 2.93 0.09 2.72 2.02 -1.26 -4.68 118.70 121.52 2kcx s GLU 8 Ca 0.13 -1.36 -0.11 0.00 0.02 0.00 0.00 54.97 53.65 2kcx s GLU 8 Cb -0.14 -4.08 0.01 0.00 0.10 0.00 0.00 34.13 30.03 2kcx s GLU 8 CO 0.05 -1.01 0.26 0.00 0.02 0.00 0.00 175.26 174.58 2kcx n GLY 10 N 0.06 -0.42 3.56 0.00 0.00 -1.14 -4.99 105.19 102.27 2kcx n GLY 10 Ca -0.16 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 1.77 2.40 0.00 1.61 0.02 -1.26 -1.58 135.00 137.95 2kcx s PRO 11 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.54 2kcx s PRO 11 Cb 0.00 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 30.00 2kcx s PRO 11 CO 0.00 -2.94 0.00 0.41 -0.33 0.00 0.00 177.00 174.14 2kcx n GLY 12 N 5.92 0.33 2.96 0.52 0.00 -1.22 -4.95 105.19 108.74 2kcx n GLY 12 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.98 0.11 0.11 1.61 1.02 -0.62 -0.41 119.74 120.60 2kcx s LYS 13 Ca 0.00 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.27 2kcx s LYS 13 Cb 0.00 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 2kcx s LYS 13 CO 0.00 -0.07 -0.12 0.00 -0.92 0.00 0.00 175.35 174.24 2kcx s ALA 14 N 0.49 1.32 -0.20 5.17 0.00 -1.14 -2.89 121.76 124.50 2kcx s ALA 14 Ca -0.04 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 2kcx s ALA 14 Cb -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2kcx s ALA 14 CO -0.02 0.03 0.29 0.00 0.00 0.00 0.00 175.76 176.06 2kcx s ARG 16 N 1.01 1.95 -0.62 0.00 6.06 0.37 -4.91 118.95 122.81 2kcx s ARG 16 Ca 0.15 -0.75 -0.24 0.00 -2.50 0.00 0.00 55.73 52.39 2kcx s ARG 16 Cb -0.14 -1.75 0.05 0.00 0.06 0.00 0.00 34.95 33.17 2kcx s ARG 16 CO 0.06 0.37 1.01 -1.64 -2.50 0.00 0.00 175.30 172.60 2kcx s MET 17 N -0.24 3.23 -0.28 5.12 -1.94 -1.26 -1.09 119.30 122.83 2kcx s MET 17 Ca 0.01 -0.47 -0.06 0.00 -1.71 0.00 0.00 55.69 53.47 2kcx s MET 17 Cb -0.11 -4.14 0.01 0.00 2.01 0.00 0.00 34.83 32.60 2kcx s MET 17 CO 0.01 -1.73 0.06 -0.51 -0.01 0.00 0.00 175.02 172.84 2kcx s LEU 18 N 4.31 3.67 -1.82 -0.03 2.01 -0.03 -4.59 118.68 122.20 2kcx s LEU 18 Ca 0.28 -0.66 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2kcx s LEU 18 Cb -0.13 -1.85 0.00 0.00 0.01 0.00 0.00 46.19 44.21 2kcx s LEU 18 CO 0.15 -0.16 0.00 0.61 1.01 0.00 0.00 176.35 177.96 2kcx n GLY 19 N 4.85 0.10 1.72 -3.19 0.00 -1.26 -1.34 105.19 106.06 2kcx n GLY 19 Ca -0.15 -0.04 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 -0.90 1.11 3.45 -0.02 0.00 -1.26 -5.05 105.19 102.52 2kcx n GLY 20 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.43 3.59 -0.62 1.61 0.52 -0.45 -5.05 118.95 118.13 2kcx s ARG 21 Ca 0.00 -0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 54.39 2kcx s ARG 21 Cb 0.00 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.53 2kcx s ARG 21 CO 0.00 0.10 1.25 -1.25 0.02 0.00 0.00 175.30 175.42 2kcx s PRO 22 N 0.74 3.40 0.25 3.54 0.04 -1.26 -0.85 135.00 140.86 2kcx s PRO 22 Ca -0.01 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.19 2kcx s PRO 22 Cb -0.14 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 2kcx s PRO 22 CO 0.02 -1.85 0.42 -0.98 0.04 0.00 0.00 177.00 174.66 2kcx s ARG 23 N 5.25 3.48 -0.22 4.56 1.70 -0.25 -4.80 118.95 128.67 2kcx s ARG 23 Ca 0.42 -0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 55.17 2kcx s ARG 23 Cb -0.08 -2.81 -0.01 0.00 -0.57 0.00 0.00 34.95 31.48 2kcx s ARG 23 CO 0.23 0.34 -0.03 0.00 -1.08 0.00 0.00 175.30 174.76 2kcx s GLU 25 N 1.46 2.82 -0.67 0.00 0.41 -1.09 -4.90 118.70 116.73 2kcx s GLU 25 Ca 0.05 -1.12 -0.26 0.00 -0.41 0.00 0.00 54.97 53.23 2kcx s GLU 25 Cb -0.14 -2.49 -0.07 0.00 -1.78 0.00 0.00 34.13 29.64 2kcx s GLU 25 CO -0.02 0.38 2.19 0.00 -0.49 0.00 0.00 175.26 177.33 2kcx s ALA 27 N 11.71 3.49 -0.44 0.00 0.00 0.46 -4.93 121.76 132.04 2kcx s ALA 27 Ca 0.84 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 2kcx s ALA 27 Cb -0.13 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 2kcx s ALA 27 CO 0.16 -0.61 2.38 -0.35 0.00 0.00 0.00 175.76 177.34 2kcx n PRO 28 N 5.05 1.23 -1.67 0.00 -0.04 -1.26 -3.45 135.00 134.86 2kcx n PRO 28 Ca -0.14 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.06 2kcx n PRO 28 Cb 0.52 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.54 2kcx n PRO 28 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kcx s ASP 29 N 11.44 4.66 -0.15 3.54 2.15 -1.26 -4.74 116.67 132.30 2kcx s ASP 29 Ca 0.99 0.93 0.24 0.00 0.43 0.00 0.00 52.55 55.14 2kcx s ASP 29 Cb -0.21 -2.51 0.47 0.00 -0.30 0.00 0.00 42.92 40.37 2kcx s ASP 29 CO 0.28 -2.74 1.14 0.00 -0.17 0.00 0.00 175.17 173.68 2kcx h SER 31 N 1.89 0.86 -1.20 0.00 0.87 -2.02 -2.68 113.55 111.27 2kcx h SER 31 Ca -0.17 -0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.73 2kcx h SER 31 Cb 1.54 -0.19 -0.34 0.00 -0.44 0.00 0.00 62.40 62.98 2kcx h SER 31 CO 0.15 0.58 0.30 0.61 -0.53 0.00 0.00 176.83 177.93 2kcx n GLY 32 N -1.41 5.96 3.20 5.77 0.00 -1.26 -4.99 105.19 112.46 2kcx n GLY 32 Ca 0.11 -2.49 -0.18 0.00 0.00 0.00 0.00 46.02 43.47 2kcx n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcx s LEU 33 N -3.79 2.35 -0.14 0.99 1.43 -1.01 -5.12 118.68 113.39 2kcx s LEU 33 Ca 0.57 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2kcx s LEU 33 Cb 0.46 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 2kcx s LEU 33 CO -0.10 -0.13 1.37 -2.16 0.23 0.00 0.00 176.35 175.55 2kcx s PRO 34 N -2.33 4.21 -0.19 1.29 0.04 -1.26 -4.91 135.00 131.86 2kcx s PRO 34 Ca 0.04 1.79 0.16 0.00 0.04 0.00 0.00 61.00 63.03 2kcx s PRO 34 Cb -0.07 -3.82 0.78 0.00 0.04 0.00 0.00 34.50 31.43 2kcx s PRO 34 CO 0.02 -0.75 1.70 0.00 0.04 0.00 0.00 177.00 178.02 2kcx n ALA 35 N 6.76 3.57 0.00 8.56 0.00 -1.26 -4.13 120.51 134.02 2kcx n ALA 35 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.77 2kcx n ALA 35 Cb 0.44 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.80 0.70 -3.28 0.00 1.85 -1.26 -4.78 116.66 110.69 2kcx n ARG 36 Ca 0.27 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.73 2kcx n ARG 36 Cb 1.08 -0.98 -0.08 0.00 -1.05 0.00 0.00 32.46 31.43 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 -3.00 4.07 0.34 2.89 0.20 -1.25 -4.91 118.68 117.01 2kcx s LEU 37 Ca 0.00 0.48 -0.27 0.00 0.69 0.00 0.00 54.13 55.03 2kcx s LEU 37 Cb 0.00 -2.60 -0.09 0.00 -0.43 0.00 0.00 46.19 43.07 2kcx s LEU 37 CO 0.00 -0.24 1.11 -1.10 -0.29 0.00 0.00 176.35 175.83 2kcx s GLN 38 N 2.11 4.38 0.18 1.98 -0.21 -1.17 -3.86 119.66 123.07 2kcx s GLN 38 Ca 0.20 1.74 0.06 0.00 0.02 0.00 0.00 55.36 57.38 2kcx s GLN 38 Cb -0.16 -2.90 -0.05 0.00 1.00 0.00 0.00 33.01 30.91 2kcx s GLN 38 CO 0.09 -0.01 -0.12 0.14 -2.12 0.00 0.00 175.29 173.27 2kcx s VAL 39 N -1.35 1.47 -0.19 1.09 -7.23 -0.29 -1.08 120.40 112.82 2kcx s VAL 39 Ca 0.51 -2.13 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2kcx s VAL 39 Cb -0.29 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2kcx s VAL 39 CO 0.37 -0.66 0.03 0.00 -0.31 0.00 0.00 175.10 174.53 2kcx s GLY 41 N 0.67 1.90 0.48 0.00 0.00 -0.04 -1.39 107.32 108.93 2kcx s GLY 41 Ca 0.01 -0.10 0.21 0.00 0.00 0.00 0.00 44.72 44.85 2kcx s GLY 41 CO 0.02 0.13 1.94 0.23 0.00 0.00 0.00 173.10 175.41 2kcx h SER 42 N 0.83 0.21 0.27 1.64 0.87 -1.49 0.78 113.55 116.65 2kcx h SER 42 Ca -0.47 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2kcx h SER 42 Cb 1.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kcx h SER 42 CO 0.63 0.10 -0.03 -0.67 -0.53 0.00 0.00 176.83 176.33 2kcx n ASP 43 N -4.42 0.21 0.00 6.23 2.03 -1.26 -4.88 116.55 114.46 2kcx n ASP 43 Ca 0.14 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2kcx n ASP 43 Cb 0.63 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 1.17 0.75 3.76 0.27 0.00 0.27 -5.07 105.19 106.33 2kcx n GLY 44 Ca 0.18 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 3.66 -0.20 4.61 0.00 -1.24 -4.85 121.76 121.73 2kcx s ALA 45 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 2kcx s ALA 45 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 2kcx s ALA 45 CO 0.00 0.21 0.78 0.99 0.00 0.00 0.00 175.76 177.74 2kcx s THR 46 N 0.08 4.90 0.06 0.00 2.01 -1.26 -0.86 115.64 120.57 2kcx s THR 46 Ca 0.16 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.72 2kcx s THR 46 Cb -0.13 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2kcx s THR 46 CO 0.04 0.02 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.57 2kcx s TYR 47 N 2.31 2.75 -0.17 4.92 2.02 -0.57 -4.99 117.35 123.63 2kcx s TYR 47 Ca 0.35 -0.14 0.28 0.00 -0.37 0.00 0.00 57.07 57.18 2kcx s TYR 47 Cb -0.16 -1.49 0.81 0.00 -0.40 0.00 0.00 41.96 40.72 2kcx s TYR 47 CO 0.10 0.38 1.78 0.00 -1.57 0.00 0.00 175.55 176.24 2kcx h ARG 48 N 4.05 0.00 -2.60 -0.62 2.47 -1.89 -0.76 114.38 115.02 2kcx h ARG 48 Ca -0.48 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.30 2kcx h ARG 48 Cb 1.16 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.36 2kcx h ARG 48 CO 0.52 0.03 0.37 0.16 0.56 0.00 0.00 179.97 181.60 2kcx s ASP 49 N -5.99 -0.42 0.26 7.04 1.47 -1.25 -3.05 116.67 114.73 2kcx s ASP 49 Ca 0.04 -0.08 -0.03 0.00 1.18 0.00 0.00 52.55 53.65 2kcx s ASP 49 Cb 0.07 0.50 0.37 0.00 -0.34 0.00 0.00 42.92 43.52 2kcx s ASP 49 CO 0.61 -0.83 1.88 -0.08 0.68 0.00 0.00 175.17 177.44 2kcx h GLU 50 N 2.00 1.13 -0.84 2.11 4.22 -1.72 -1.95 114.58 119.52 2kcx h GLU 50 Ca -0.27 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.12 2kcx h GLU 50 Cb 1.27 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2kcx h GLU 50 CO 0.32 0.75 0.55 0.00 -2.18 0.00 0.00 179.01 178.45 2kcx h GLU 52 N 1.11 0.69 -0.19 0.00 4.81 -1.77 -2.01 114.58 117.21 2kcx h GLU 52 Ca 0.31 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2kcx h GLU 52 Cb -0.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2kcx h GLU 52 CO -0.08 0.73 0.04 1.25 -0.73 0.00 0.00 179.01 180.22 2kcx h LEU 53 N 0.55 0.30 -1.28 1.64 6.46 -0.96 -1.76 115.31 120.27 2kcx h LEU 53 Ca 0.13 -0.24 0.12 0.00 -0.12 0.00 0.00 57.88 57.76 2kcx h LEU 53 Cb 0.37 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 2kcx h LEU 53 CO 0.01 0.46 0.56 -0.09 -0.62 0.00 0.00 178.44 178.76 2kcx h ARG 54 N 0.12 0.73 -0.15 1.25 2.43 -0.65 0.74 114.38 118.85 2kcx h ARG 54 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2kcx h ARG 54 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kcx h ARG 54 CO 0.00 0.48 0.02 0.00 -1.51 0.00 0.00 179.97 178.96 2kcx h ALA 55 N 1.59 0.20 -0.87 2.80 0.00 -1.14 -2.45 119.26 119.39 2kcx h ALA 55 Ca 0.42 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2kcx h ALA 55 Cb 0.56 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2kcx h ALA 55 CO -0.18 -0.12 0.57 0.00 0.00 0.00 0.00 179.25 179.52 2kcx h ALA 56 N 0.79 1.51 0.04 0.00 0.00 -0.30 0.18 119.26 121.50 2kcx h ALA 56 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kcx h ALA 56 Cb 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kcx h ALA 56 CO 0.00 0.37 -0.02 -0.09 0.00 0.00 0.00 179.25 179.51 2kcx h ARG 57 N 1.02 -0.06 0.00 0.00 2.43 -0.84 -2.56 114.38 114.37 2kcx h ARG 57 Ca 0.37 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2kcx h ARG 57 Cb 0.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2kcx h ARG 57 CO -0.13 -0.00 -0.20 0.00 -1.51 0.00 0.00 179.97 178.13 2kcx h ARG 59 N 0.00 1.09 0.00 0.00 2.43 -0.30 -3.44 114.38 114.16 2kcx h ARG 59 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2kcx h ARG 59 Cb 0.37 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2kcx h ARG 59 CO 0.03 0.82 0.00 0.41 -1.51 0.00 0.00 179.97 179.72 2kcx n GLY 60 N -1.12 0.00 2.48 2.80 0.00 -0.96 -5.09 105.19 103.30 2kcx n GLY 60 Ca 0.08 0.00 -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 0.00 0.35 0.18 1.61 8.25 -0.12 -4.97 115.22 120.52 2kcx n HIS 61 Ca 0.00 -3.62 0.03 0.00 -0.26 0.00 0.00 57.72 53.87 2kcx n HIS 61 Cb 0.00 -0.07 0.34 0.00 1.12 0.00 0.00 29.99 31.38 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 5.27 0.00 0.00 -0.41 0.13 -1.90 -2.75 132.00 132.34 2kcx h PRO 62 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kcx h PRO 62 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kcx h PRO 62 CO 0.49 0.41 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.29 2kcx n ASP 63 N -3.85 0.38 -4.56 1.44 9.92 -1.26 -4.79 116.55 113.84 2kcx n ASP 63 Ca -0.01 0.38 -0.41 0.00 -0.53 0.00 0.00 54.79 54.21 2kcx n ASP 63 Cb 0.47 -0.42 -0.07 0.00 -0.64 0.00 0.00 41.12 40.46 2kcx n ASP 63 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kcx s LEU 64 N -3.59 4.32 0.16 0.64 0.20 -1.04 -4.66 118.68 114.72 2kcx s LEU 64 Ca 0.12 0.03 -0.06 0.00 0.69 0.00 0.00 54.13 54.91 2kcx s LEU 64 Cb 0.16 -2.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 2kcx s LEU 64 CO 0.59 -0.51 0.21 -0.44 -0.29 0.00 0.00 176.35 175.92 2kcx s SER 65 N 1.76 0.13 -0.30 3.68 0.01 -1.26 -4.71 113.70 113.01 2kcx s SER 65 Ca 0.20 -1.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 2kcx s SER 65 Cb -0.15 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 2kcx s SER 65 CO 0.14 -0.86 1.71 -0.69 0.41 0.00 0.00 173.24 173.95 2kcx s VAL 66 N -4.02 3.58 -0.14 3.43 1.01 -1.26 -1.38 120.40 121.62 2kcx s VAL 66 Ca 0.23 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 2kcx s VAL 66 Cb 0.05 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 2kcx s VAL 66 CO 0.03 -0.41 0.41 0.24 0.00 0.00 0.00 175.10 175.37 2kcx h MET 67 N 12.01 0.00 -4.03 2.72 2.86 -1.54 -3.49 114.93 123.47 2kcx h MET 67 Ca -0.33 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.18 2kcx h MET 67 Cb 1.16 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 2kcx h MET 67 CO 1.03 0.63 -0.42 1.52 1.06 0.00 0.00 176.91 180.72 2kcx s TYR 68 N -2.03 0.49 0.15 -0.22 1.13 -1.26 -5.04 117.35 110.58 2kcx s TYR 68 Ca -0.14 -0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 54.62 2kcx s TYR 68 Cb -0.01 -0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.63 2kcx s TYR 68 CO 0.44 -0.64 0.35 1.03 -2.51 0.00 0.00 175.55 174.22 2kcx s ARG 69 N -3.98 3.55 0.00 -3.49 0.52 -1.26 -1.49 118.95 112.80 2kcx s ARG 69 Ca 0.17 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2kcx s ARG 69 Cb 0.05 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.64 2kcx s ARG 69 CO -0.01 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.19 2kcx n GLY 70 N -0.16 0.61 2.03 -3.53 0.00 -0.24 -4.91 105.19 98.99 2kcx n GLY 70 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2kcx n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kcx n ARG 71 N -0.02 -0.63 -2.96 1.61 0.00 -1.14 -4.48 116.66 109.05 2kcx n ARG 71 Ca 0.00 0.41 -0.43 0.00 -0.00 0.00 0.00 57.85 57.83 2kcx n ARG 71 Cb 0.01 -0.76 -0.05 0.00 -0.00 0.00 0.00 32.46 31.66 2kcx n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kcx s ARG 73 N 3.43 3.06 0.00 0.00 1.70 -1.26 -4.91 118.95 120.97 2kcx s ARG 73 Ca 0.24 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2kcx s ARG 73 Cb -0.15 -2.46 0.00 0.00 -0.57 0.00 0.00 34.95 31.76 2kcx s ARG 73 CO 0.16 0.30 0.00 0.36 -1.08 0.00 0.00 175.30 175.04