#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 7.36 0.00 6.43 -4.77 -1.26 -5.05 116.67 119.38 2kcx s ASP 2 Ca 0.00 1.64 0.00 0.00 -3.30 0.00 0.00 52.55 50.89 2kcx s ASP 2 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 2kcx s ASP 2 CO 0.00 -0.09 0.00 -1.20 0.70 0.00 0.00 175.17 174.58 2kcx n SER 3 N 3.10 1.62 -4.74 2.11 7.64 -1.26 -4.46 113.62 117.63 2kcx n SER 3 Ca 0.02 -0.64 -0.36 0.00 1.01 0.00 0.00 58.87 58.90 2kcx n SER 3 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 2kcx n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kcx s ASP 5 N 0.29 7.25 0.00 0.00 2.15 -1.26 -3.57 116.67 121.52 2kcx s ASP 5 Ca 0.11 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.62 2kcx s ASP 5 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2kcx s ASP 5 CO 0.00 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 2kcx n GLY 6 N 3.07 0.74 3.71 2.66 0.00 -1.26 -4.97 105.19 109.14 2kcx n GLY 6 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 4.27 -0.36 1.61 1.01 -1.23 -5.09 120.40 118.16 2kcx s VAL 7 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2kcx s VAL 7 Cb 0.00 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.51 2kcx s VAL 7 CO 0.00 0.32 0.14 -0.70 0.00 0.00 0.00 175.10 174.86 2kcx s GLU 8 N -1.74 2.42 -0.00 2.72 -6.30 -1.26 -4.77 118.70 109.77 2kcx s GLU 8 Ca 0.22 -1.42 0.00 0.00 -2.50 0.00 0.00 54.97 51.27 2kcx s GLU 8 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.53 2kcx s GLU 8 CO 0.13 -0.82 -0.01 0.00 0.02 0.00 0.00 175.26 174.58 2kcx n GLY 10 N 3.15 -1.07 1.68 0.00 0.00 0.44 -4.59 105.19 104.80 2kcx n GLY 10 Ca -0.14 0.46 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 2kcx n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kcx n PRO 11 N 0.00 1.18 0.00 1.61 -0.04 -1.26 -4.13 135.00 132.36 2kcx n PRO 11 Ca 0.00 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 2kcx n PRO 11 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2kcx n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcx n GLY 12 N 1.82 1.64 3.22 0.55 0.00 -1.23 -5.07 105.19 106.12 2kcx n GLY 12 Ca 0.11 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.08 -0.13 1.61 1.02 -1.26 -0.22 119.74 122.84 2kcx s LYS 13 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 2kcx s LYS 13 Cb 0.00 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2kcx s LYS 13 CO 0.00 0.38 -0.00 0.00 -0.92 0.00 0.00 175.35 174.80 2kcx s ALA 14 N -0.23 3.19 -0.05 5.17 0.00 -0.10 0.17 121.76 129.91 2kcx s ALA 14 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2kcx s ALA 14 Cb -0.11 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2kcx s ALA 14 CO 0.02 0.37 -0.15 0.00 0.00 0.00 0.00 175.76 175.99 2kcx s ARG 16 N -0.68 0.72 -0.52 0.00 3.52 -1.07 -4.43 118.95 116.49 2kcx s ARG 16 Ca 0.10 -1.15 -0.27 0.00 -0.13 0.00 0.00 55.73 54.29 2kcx s ARG 16 Cb -0.11 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 2kcx s ARG 16 CO 0.01 -0.18 1.06 -1.64 -0.81 0.00 0.00 175.30 173.74 2kcx s MET 17 N -3.91 3.53 -0.31 5.12 -1.94 -1.26 -2.05 119.30 118.47 2kcx s MET 17 Ca 0.08 0.20 0.02 0.00 -1.71 0.00 0.00 55.69 54.28 2kcx s MET 17 Cb 0.07 -3.98 0.09 0.00 2.01 0.00 0.00 34.83 33.02 2kcx s MET 17 CO -0.09 -1.46 0.04 -0.51 -0.01 0.00 0.00 175.02 172.98 2kcx s LEU 18 N 4.35 3.82 -1.17 -0.03 1.02 -1.06 -4.86 118.68 120.75 2kcx s LEU 18 Ca 0.40 -1.86 -0.02 0.00 0.02 0.00 0.00 54.13 52.67 2kcx s LEU 18 Cb -0.09 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 2kcx s LEU 18 CO 0.26 -0.36 0.97 0.61 0.02 0.00 0.00 176.35 177.85 2kcx n GLY 19 N 4.45 -0.56 3.89 -3.19 0.00 -1.26 -3.19 105.19 105.33 2kcx n GLY 19 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.18 1.44 3.73 -0.02 0.00 -1.26 -4.95 105.19 102.96 2kcx n GLY 20 Ca -0.23 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2kcx n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kcx s ARG 21 N 0.00 4.29 0.24 1.61 1.70 -1.19 -5.01 118.95 120.59 2kcx s ARG 21 Ca 0.00 0.36 -0.28 0.00 -0.47 0.00 0.00 55.73 55.34 2kcx s ARG 21 Cb 0.00 -3.42 -0.09 0.00 -0.57 0.00 0.00 34.95 30.87 2kcx s ARG 21 CO 0.00 0.22 0.90 -1.25 -1.08 0.00 0.00 175.30 174.09 2kcx s PRO 22 N 0.46 4.72 -0.18 3.89 0.04 -1.26 -2.55 135.00 140.12 2kcx s PRO 22 Ca 0.23 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 2kcx s PRO 22 Cb -0.15 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kcx s PRO 22 CO 0.09 0.48 -0.09 1.03 0.04 0.00 0.00 177.00 178.54 2kcx s ARG 23 N -1.38 3.33 -0.24 4.56 0.52 -0.87 -4.91 118.95 119.95 2kcx s ARG 23 Ca 0.42 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2kcx s ARG 23 Cb -0.24 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 2kcx s ARG 23 CO 0.29 -0.06 0.05 0.00 0.02 0.00 0.00 175.30 175.59 2kcx s GLU 25 N 1.58 1.68 -0.64 0.00 -1.05 -0.82 -4.80 118.70 114.65 2kcx s GLU 25 Ca 0.06 -1.72 -0.26 0.00 -0.15 0.00 0.00 54.97 52.90 2kcx s GLU 25 Cb -0.15 -1.79 -0.11 0.00 -0.44 0.00 0.00 34.13 31.64 2kcx s GLU 25 CO 0.02 0.34 2.42 0.00 0.95 0.00 0.00 175.26 179.00 2kcx s ALA 27 N 12.87 2.09 0.87 0.00 0.00 0.69 -4.41 121.76 133.86 2kcx s ALA 27 Ca 0.98 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2kcx s ALA 27 Cb -0.21 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2kcx s ALA 27 CO 0.21 0.30 0.00 -0.35 0.00 0.00 0.00 175.76 175.91 2kcx n PRO 28 N 3.44 1.48 -2.92 0.00 -0.04 -1.26 -3.57 135.00 132.13 2kcx n PRO 28 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 2kcx n PRO 28 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.00 6.22 0.00 3.54 2.15 -1.26 -4.82 116.67 121.50 2kcx s ASP 29 Ca 0.00 -0.88 0.20 0.00 0.43 0.00 0.00 52.55 52.30 2kcx s ASP 29 Cb 0.00 -2.39 0.32 0.00 -0.30 0.00 0.00 42.92 40.55 2kcx s ASP 29 CO 0.00 -1.28 1.28 0.00 -0.17 0.00 0.00 175.17 175.00 2kcx h SER 31 N 3.92 0.42 -0.37 0.00 0.87 -2.04 -3.33 113.55 113.02 2kcx h SER 31 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2kcx h SER 31 Cb 0.88 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2kcx h SER 31 CO 0.00 1.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.30 2kcx n GLY 32 N 1.58 0.84 3.27 5.77 0.00 -1.26 -4.92 105.19 110.47 2kcx n GLY 32 Ca -0.11 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.09 2.45 -0.18 0.99 0.05 -1.25 -5.13 118.68 114.51 2kcx s LEU 33 Ca 0.28 -0.88 -0.24 0.00 0.05 0.00 0.00 54.13 53.34 2kcx s LEU 33 Cb 0.15 -0.58 -0.02 0.00 -2.05 0.00 0.00 46.19 43.69 2kcx s LEU 33 CO 0.20 -0.16 0.78 -2.16 -0.55 0.00 0.00 176.35 174.46 2kcx s PRO 34 N -3.00 4.26 0.00 1.48 0.04 -1.26 -4.95 135.00 131.57 2kcx s PRO 34 Ca 0.13 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2kcx s PRO 34 Cb -0.03 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2kcx s PRO 34 CO 0.04 -0.33 0.57 0.00 0.04 0.00 0.00 177.00 177.32 2kcx n ALA 35 N 5.28 2.18 -0.06 8.56 0.00 -1.26 -2.73 120.51 132.48 2kcx n ALA 35 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 2kcx n ALA 35 Cb 0.49 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.21 2.96 -3.70 0.00 1.74 -1.26 -4.74 116.66 111.44 2kcx n ARG 36 Ca 0.00 -1.68 -0.38 0.00 -0.77 0.00 0.00 57.85 55.02 2kcx n ARG 36 Cb 0.09 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.01 5.38 0.37 0.55 1.98 -1.10 -5.02 118.68 119.83 2kcx s LEU 37 Ca 0.08 -1.98 -0.28 0.00 -2.89 0.00 0.00 54.13 49.05 2kcx s LEU 37 Cb 0.04 -1.89 -0.11 0.00 0.66 0.00 0.00 46.19 44.89 2kcx s LEU 37 CO 0.05 -0.59 1.51 -1.10 -1.89 0.00 0.00 176.35 174.33 2kcx s GLN 38 N 1.22 4.10 0.27 1.98 -0.21 -1.18 -3.23 119.66 122.61 2kcx s GLN 38 Ca 0.07 2.59 0.05 0.00 0.02 0.00 0.00 55.36 58.09 2kcx s GLN 38 Cb -0.24 -2.97 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 2kcx s GLN 38 CO -0.03 -0.56 -0.01 0.14 -2.12 0.00 0.00 175.29 172.71 2kcx s VAL 39 N -0.97 1.27 -0.17 1.09 -7.23 -1.02 -0.00 120.40 113.37 2kcx s VAL 39 Ca 0.54 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2kcx s VAL 39 Cb -0.47 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.00 2kcx s VAL 39 CO 0.62 -0.25 -0.15 0.00 -0.31 0.00 0.00 175.10 175.01 2kcx s GLY 41 N 0.95 1.42 0.61 0.00 0.00 -0.61 -0.95 107.32 108.74 2kcx s GLY 41 Ca -0.03 -0.96 0.30 0.00 0.00 0.00 0.00 44.72 44.03 2kcx s GLY 41 CO -0.02 -0.86 2.05 1.48 0.00 0.00 0.00 173.10 175.75 2kcx h SER 42 N 0.63 0.00 0.19 1.64 4.64 -0.66 0.94 113.55 120.93 2kcx h SER 42 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2kcx h SER 42 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2kcx h SER 42 CO 0.60 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.89 2kcx n ASP 43 N -3.55 0.00 0.00 4.97 2.03 -1.26 -4.87 116.55 113.87 2kcx n ASP 43 Ca 0.02 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.88 2kcx n ASP 43 Cb 0.38 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.59 0.38 3.36 0.27 0.00 0.32 -5.06 105.19 105.05 2kcx n GLY 44 Ca 0.15 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.44 4.61 0.00 -1.24 -4.95 121.76 120.20 2kcx s ALA 45 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 2kcx s ALA 45 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.20 2kcx s ALA 45 CO 0.00 0.39 0.86 0.99 0.00 0.00 0.00 175.76 178.00 2kcx s THR 46 N -0.11 4.57 0.40 0.00 2.01 -1.26 -1.58 115.64 119.68 2kcx s THR 46 Ca -0.03 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 2kcx s THR 46 Cb -0.14 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2kcx s THR 46 CO 0.04 -0.72 0.65 -0.31 -0.69 0.00 0.00 174.62 173.59 2kcx s TYR 47 N 3.50 3.53 0.30 4.92 2.02 0.16 -4.92 117.35 126.86 2kcx s TYR 47 Ca 0.34 0.56 0.04 0.00 -0.37 0.00 0.00 57.07 57.65 2kcx s TYR 47 Cb -0.11 -2.08 0.66 0.00 -0.40 0.00 0.00 41.96 40.03 2kcx s TYR 47 CO 0.23 -0.05 1.81 0.00 -1.57 0.00 0.00 175.55 175.97 2kcx h ARG 48 N 0.55 0.84 0.00 -0.62 2.47 -1.92 -2.70 114.38 112.99 2kcx h ARG 48 Ca -0.48 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.23 2kcx h ARG 48 Cb 1.21 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 2kcx h ARG 48 CO 0.62 0.56 0.36 -0.40 0.56 0.00 0.00 179.97 181.66 2kcx n ASP 49 N -4.67 -1.75 -0.06 7.04 5.75 -1.26 -3.09 116.55 118.50 2kcx n ASP 49 Ca 0.21 -2.10 -0.08 0.00 -0.01 0.00 0.00 54.79 52.81 2kcx n ASP 49 Cb 0.47 2.89 0.08 0.00 -1.03 0.00 0.00 41.12 43.53 2kcx n ASP 49 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2kcx h GLU 50 N 0.00 0.72 -0.55 0.11 4.81 -1.79 -2.66 114.58 115.21 2kcx h GLU 50 Ca -0.26 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.56 2kcx h GLU 50 Cb 1.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2kcx h GLU 50 CO 0.34 0.94 0.06 0.00 -0.73 0.00 0.00 179.01 179.63 2kcx h GLU 52 N 0.81 -0.11 0.32 0.00 4.57 -1.91 0.37 114.58 118.63 2kcx h GLU 52 Ca 0.16 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2kcx h GLU 52 Cb 0.45 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2kcx h GLU 52 CO 0.02 -0.07 -0.16 1.25 -1.18 0.00 0.00 179.01 178.87 2kcx h LEU 53 N -0.11 -0.37 -1.84 1.64 6.46 -1.34 -2.23 115.31 117.52 2kcx h LEU 53 Ca 0.18 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2kcx h LEU 53 Cb 0.39 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2kcx h LEU 53 CO -0.43 -0.13 -0.09 0.03 -0.62 0.00 0.00 178.44 177.21 2kcx h ARG 54 N -0.61 0.00 -0.21 1.25 3.08 -0.87 0.31 114.38 117.33 2kcx h ARG 54 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2kcx h ARG 54 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2kcx h ARG 54 CO 0.07 0.09 -0.40 0.00 -1.07 0.00 0.00 179.97 178.66 2kcx h ALA 55 N 1.91 0.33 -0.73 0.04 0.00 -0.22 -0.38 119.26 120.22 2kcx h ALA 55 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kcx h ALA 55 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kcx h ALA 55 CO 0.01 0.43 0.35 0.00 0.00 0.00 0.00 179.25 180.04 2kcx h ALA 56 N 0.61 1.24 -0.15 0.00 0.00 -0.70 -0.86 119.26 119.40 2kcx h ALA 56 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kcx h ALA 56 Cb 1.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kcx h ALA 56 CO 0.09 0.58 0.06 -0.09 0.00 0.00 0.00 179.25 179.89 2kcx h ARG 57 N 1.03 0.23 -0.66 0.00 2.43 -0.90 -3.06 114.38 113.45 2kcx h ARG 57 Ca 0.25 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 2kcx h ARG 57 Cb 0.11 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2kcx h ARG 57 CO -0.03 0.33 0.33 0.00 -1.51 0.00 0.00 179.97 179.09 2kcx n ARG 59 N -4.86 3.91 -1.30 0.00 0.63 -0.36 -4.55 116.66 110.14 2kcx n ARG 59 Ca 0.09 -2.78 0.00 0.00 -0.92 0.00 0.00 57.85 54.25 2kcx n ARG 59 Cb 0.23 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 30.33 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 2.95 0.55 2.38 5.14 0.00 -1.21 -4.94 105.19 110.07 2kcx n GLY 60 Ca 0.67 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.21 0.42 0.26 1.61 8.25 -0.39 -4.96 115.22 117.20 2kcx n HIS 61 Ca 0.00 -3.64 0.15 0.00 -0.26 0.00 0.00 57.72 53.96 2kcx n HIS 61 Cb 0.22 -0.19 0.44 0.00 1.12 0.00 0.00 29.99 31.58 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 4.79 0.00 0.00 -0.41 0.13 -1.90 -3.04 132.00 131.56 2kcx h PRO 62 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2kcx h PRO 62 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 2kcx h PRO 62 CO 0.51 0.00 -0.25 0.22 -0.23 0.00 0.00 178.00 178.25 2kcx h ASP 63 N 0.00 0.00 -3.23 1.44 3.58 -1.93 -3.43 116.42 112.85 2kcx h ASP 63 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2kcx h ASP 63 Cb 0.74 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.74 2kcx h ASP 63 CO 0.00 0.25 1.04 -0.22 -2.88 0.00 0.00 179.24 177.43 2kcx s LEU 64 N -6.34 3.69 0.01 2.28 2.96 -1.15 -4.87 118.68 115.26 2kcx s LEU 64 Ca 0.05 0.96 0.07 0.00 -0.22 0.00 0.00 54.13 54.99 2kcx s LEU 64 Cb 0.06 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 2kcx s LEU 64 CO 0.71 -1.32 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.28 2kcx s SER 65 N 3.58 2.38 -0.28 3.68 1.04 -1.26 -4.80 113.70 118.04 2kcx s SER 65 Ca 0.60 -0.42 -0.29 0.00 0.48 0.00 0.00 55.95 56.32 2kcx s SER 65 Cb -0.15 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 2kcx s SER 65 CO 0.30 0.21 1.50 0.54 0.98 0.00 0.00 173.24 176.77 2kcx s VAL 66 N -0.60 3.84 0.02 5.02 0.11 -1.26 0.12 120.40 127.65 2kcx s VAL 66 Ca 0.07 0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 59.88 2kcx s VAL 66 Cb -0.08 -3.92 -0.26 0.00 -1.53 0.00 0.00 36.38 30.59 2kcx s VAL 66 CO 0.00 -0.43 1.08 0.24 -3.33 0.00 0.00 175.10 172.66 2kcx h MET 67 N 10.48 0.50 -2.10 1.54 2.86 -1.34 -3.48 114.93 123.40 2kcx h MET 67 Ca -0.30 -0.61 0.17 0.00 -2.06 0.00 0.00 59.70 56.89 2kcx h MET 67 Cb 1.13 0.19 -0.14 0.00 0.06 0.00 0.00 31.60 32.84 2kcx h MET 67 CO 1.03 1.24 0.57 1.52 1.06 0.00 0.00 176.91 182.33 2kcx s TYR 68 N -3.05 -0.24 0.25 -0.22 -0.85 -1.22 -5.06 117.35 106.97 2kcx s TYR 68 Ca -0.12 0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.47 2kcx s TYR 68 Cb 0.04 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.89 2kcx s TYR 68 CO 0.87 -0.53 0.50 1.03 -1.52 0.00 0.00 175.55 175.90 2kcx s ARG 69 N -2.99 3.63 0.00 -3.49 3.00 -1.26 -1.54 118.95 116.29 2kcx s ARG 69 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 55.73 55.76 2kcx s ARG 69 Cb -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 34.95 32.24 2kcx s ARG 69 CO -0.05 0.29 0.00 0.41 0.00 0.00 0.00 175.30 175.94 2kcx n GLY 70 N -0.70 0.50 1.37 -3.53 0.00 1.00 -4.89 105.19 98.93 2kcx n GLY 70 Ca -0.02 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.03 2kcx n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcx n ARG 71 N -0.30 -2.93 -2.67 1.61 1.74 -0.59 -4.67 116.66 108.86 2kcx n ARG 71 Ca 0.00 2.14 -0.43 0.00 -0.77 0.00 0.00 57.85 58.79 2kcx n ARG 71 Cb 0.15 -3.51 -0.03 0.00 -1.02 0.00 0.00 32.46 28.06 2kcx n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kcx s ARG 73 N 4.02 1.97 0.00 0.00 0.52 -1.26 -5.06 118.95 119.13 2kcx s ARG 73 Ca 0.44 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2kcx s ARG 73 Cb -0.09 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2kcx s ARG 73 CO 0.25 -0.78 0.21 1.17 0.02 0.00 0.00 175.30 176.17