#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kym s VAL 2 N 0.00 4.65 -0.06 6.31 1.01 -1.26 -4.16 120.40 126.90 3kym s VAL 2 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3kym s VAL 2 Cb 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3kym s VAL 2 CO 0.00 0.54 0.64 -1.58 0.00 0.00 0.00 175.10 174.69 3kym s GLN 3 N -0.27 1.00 -0.14 2.72 0.74 -1.00 -5.02 119.66 117.69 3kym s GLN 3 Ca 0.08 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.74 3kym s GLN 3 Cb -0.12 0.47 0.02 0.00 1.10 0.00 0.00 33.01 34.48 3kym s GLN 3 CO 0.02 -0.30 -0.13 -0.51 -0.55 0.00 0.00 175.29 173.82 3kym s LEU 4 N -1.11 1.62 -0.22 3.68 1.43 -1.26 -2.13 118.68 120.69 3kym s LEU 4 Ca -0.11 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3kym s LEU 4 Cb -0.01 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.12 3kym s LEU 4 CO 0.09 -0.07 -0.14 -0.76 0.23 0.00 0.00 176.35 175.69 3kym s LEU 5 N 1.53 2.71 0.27 1.79 1.43 -0.83 -4.25 118.68 121.33 3kym s LEU 5 Ca 0.05 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 3kym s LEU 5 Cb -0.13 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3kym s LEU 5 CO -0.10 -0.08 0.21 -1.83 0.23 0.00 0.00 176.35 174.78 3kym s GLU 6 N 1.25 2.84 -0.01 1.70 -1.05 -1.26 -2.30 118.70 119.86 3kym s GLU 6 Ca 0.00 -1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 53.40 3kym s GLU 6 Cb -0.16 -2.51 0.10 0.00 -0.44 0.00 0.00 34.13 31.12 3kym s GLU 6 CO -0.09 0.33 0.88 -1.54 0.95 0.00 0.00 175.26 175.79 3kym s SER 7 N -3.87 -0.38 0.00 0.83 1.04 -0.62 -4.89 113.70 105.81 3kym s SER 7 Ca 0.35 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3kym s SER 7 Cb -0.07 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3kym s SER 7 CO 0.25 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3kym n GLY 8 N -0.14 0.90 2.52 7.32 0.00 -1.26 -1.96 105.19 112.56 3kym n GLY 8 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3kym n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 9 N -1.06 -2.78 0.00 -0.02 0.00 -1.26 -4.83 105.19 95.23 3kym n GLY 9 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3kym n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 10 N -2.89 0.71 3.75 -0.02 0.00 -0.18 -4.98 105.19 101.58 3kym n GLY 10 Ca 0.11 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3kym n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kym s LEU 11 N 0.00 4.54 -0.00 0.99 2.96 -1.26 -2.44 118.68 123.47 3kym s LEU 11 Ca 0.00 1.71 0.02 0.00 -0.22 0.00 0.00 54.13 55.64 3kym s LEU 11 Cb 0.00 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 3kym s LEU 11 CO 0.00 0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.35 3kym s VAL 12 N -0.55 0.49 0.29 1.68 1.01 -0.12 -4.97 120.40 118.23 3kym s VAL 12 Ca 0.41 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3kym s VAL 12 Cb -0.23 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 3kym s VAL 12 CO 0.28 0.10 1.00 0.00 0.00 0.00 0.00 175.10 176.48 3kym s GLN 13 N -0.25 4.64 0.60 2.72 -2.07 -1.21 0.18 119.66 124.27 3kym s GLN 13 Ca 0.02 1.55 -0.18 0.00 -1.82 0.00 0.00 55.36 54.93 3kym s GLN 13 Cb -0.03 -3.06 -0.07 0.00 -1.09 0.00 0.00 33.01 28.77 3kym s GLN 13 CO -0.00 0.29 0.67 -2.30 -1.32 0.00 0.00 175.29 172.63 3kym n PRO 14 N 1.00 0.60 -0.28 9.60 -0.02 -1.26 -1.74 135.00 142.90 3kym n PRO 14 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3kym n PRO 14 Cb 0.47 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3kym n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kym n GLY 15 N 1.61 0.79 0.00 -1.23 0.00 0.38 -4.85 105.19 101.89 3kym n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kym n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 16 N -2.00 -1.92 3.12 -0.02 0.00 -0.71 -3.50 105.19 100.15 3kym n GLY 16 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 3kym n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kym s SER 17 N -1.39 -0.06 0.11 1.61 0.01 -1.26 0.06 113.70 112.77 3kym s SER 17 Ca 0.00 -0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 3kym s SER 17 Cb 0.00 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.52 3kym s SER 17 CO 0.00 -0.31 0.34 -0.76 0.41 0.00 0.00 173.24 172.92 3kym s LEU 18 N -1.04 0.70 -0.14 2.44 1.43 0.58 -4.98 118.68 117.67 3kym s LEU 18 Ca -0.11 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3kym s LEU 18 Cb -0.06 1.59 0.03 0.00 0.03 0.00 0.00 46.19 47.79 3kym s LEU 18 CO 0.02 -0.80 -0.06 -0.60 0.23 0.00 0.00 176.35 175.14 3kym s ARG 19 N -3.67 1.41 0.18 1.70 3.52 -1.26 0.32 118.95 121.15 3kym s ARG 19 Ca 0.03 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3kym s ARG 19 Cb 0.02 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.57 3kym s ARG 19 CO -0.11 -0.37 0.37 -0.51 -0.81 0.00 0.00 175.30 173.88 3kym s LEU 20 N 1.68 4.25 -0.04 -0.88 1.43 0.08 -4.80 118.68 120.40 3kym s LEU 20 Ca 0.03 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3kym s LEU 20 Cb -0.14 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3kym s LEU 20 CO -0.08 -0.01 -0.09 -0.44 0.23 0.00 0.00 176.35 175.96 3kym s SER 21 N -2.98 1.30 -0.00 2.29 0.01 -0.83 -0.92 113.70 112.57 3kym s SER 21 Ca 0.39 -0.20 0.08 0.00 1.31 0.00 0.00 55.95 57.52 3kym s SER 21 Cb -0.11 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 3kym s SER 21 CO 0.28 0.04 -0.24 0.00 0.41 0.00 0.00 173.24 173.72 3kym s ALA 23 N -0.69 1.31 -0.28 0.00 0.00 -0.97 -0.39 121.76 120.73 3kym s ALA 23 Ca 0.11 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 3kym s ALA 23 Cb -0.10 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 3kym s ALA 23 CO 0.00 -0.76 0.24 0.00 0.00 0.00 0.00 175.76 175.24 3kym s ALA 24 N 1.71 3.54 -0.15 0.00 0.00 -0.09 -1.96 121.76 124.81 3kym s ALA 24 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kym s ALA 24 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3kym s ALA 24 CO -0.07 -0.58 -0.13 -1.54 0.00 0.00 0.00 175.76 173.44 3kym s SER 25 N 1.73 2.64 0.00 0.00 1.04 -0.91 -4.83 113.70 113.37 3kym s SER 25 Ca 0.09 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3kym s SER 25 Cb -0.16 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.84 3kym s SER 25 CO 0.11 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.86 3kym n GLY 26 N 4.80 0.96 0.00 7.32 0.00 -1.26 -2.36 105.19 114.65 3kym n GLY 26 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3kym n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3kym n PHE 27 N 0.00 0.00 -1.81 1.61 -1.74 -1.26 -4.51 117.46 109.74 3kym n PHE 27 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 3kym n PHE 27 Cb 0.00 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 40.94 3kym n PHE 27 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 3kym n THR 28 N -0.02 1.99 -0.33 1.97 -1.04 -1.26 -4.76 114.28 110.83 3kym n THR 28 Ca 0.00 -1.97 0.24 0.00 -2.04 0.00 0.00 64.05 60.27 3kym n THR 28 Cb 0.00 -2.22 0.48 0.00 -1.82 0.00 0.00 70.33 66.76 3kym n THR 28 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3kym h PHE 29 N 9.05 0.93 -0.40 -1.42 3.04 -1.94 -2.12 116.94 124.08 3kym h PHE 29 Ca 0.29 0.04 0.12 0.00 3.98 0.00 0.00 57.97 62.39 3kym h PHE 29 Cb 0.85 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 3kym h PHE 29 CO 1.23 -0.17 0.49 0.77 -2.02 0.00 0.00 178.31 178.60 3kym h SER 30 N 0.33 0.00 -0.46 0.41 0.02 -1.87 -1.70 113.55 110.27 3kym h SER 30 Ca 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.69 3kym h SER 30 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 3kym h SER 30 CO -0.60 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 177.39 3kym n ILE 31 N -3.56 1.92 -5.02 3.27 -5.35 -0.80 -4.52 119.36 105.29 3kym n ILE 31 Ca 0.07 -1.39 -0.30 0.00 -0.27 0.00 0.00 62.75 60.86 3kym n ILE 31 Cb 0.66 0.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.43 3kym n ILE 31 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3kym s TYR 32 N -2.08 2.20 0.42 4.28 1.51 -0.64 -4.91 117.35 118.13 3kym s TYR 32 Ca 0.43 -0.87 -0.25 0.00 -1.01 0.00 0.00 57.07 55.37 3kym s TYR 32 Cb 0.30 -1.50 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 3kym s TYR 32 CO 0.17 -0.37 1.23 -2.14 -1.11 0.00 0.00 175.55 173.33 3kym s PRO 33 N 0.42 3.91 0.15 -1.71 0.02 -1.26 -4.45 135.00 132.08 3kym s PRO 33 Ca -0.17 1.96 0.09 0.00 0.02 0.00 0.00 61.00 62.90 3kym s PRO 33 Cb -0.17 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 3kym s PRO 33 CO 0.07 -0.48 -0.20 -1.64 -0.33 0.00 0.00 177.00 174.42 3kym s MET 34 N -2.39 1.28 0.47 5.54 -1.94 -1.20 -1.88 119.30 119.18 3kym s MET 34 Ca 0.59 -1.37 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 3kym s MET 34 Cb -0.33 -1.45 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 3kym s MET 34 CO 0.42 0.31 0.26 -0.06 -0.01 0.00 0.00 175.02 175.93 3kym s PHE 35 N -1.74 2.16 -0.10 -0.03 0.08 0.58 -2.31 117.98 116.61 3kym s PHE 35 Ca 0.14 -0.72 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 3kym s PHE 35 Cb -0.07 -1.92 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3kym s PHE 35 CO 0.07 -0.08 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.50 3kym s TRP 36 N -2.69 1.09 0.31 0.36 0.52 -0.07 -3.20 118.94 115.26 3kym s TRP 36 Ca 0.34 -0.51 0.08 0.00 0.02 0.00 0.00 56.10 56.03 3kym s TRP 36 Cb 0.01 -1.02 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 3kym s TRP 36 CO 0.20 -0.44 0.23 0.08 0.02 0.00 0.00 176.95 177.04 3kym s VAL 37 N 1.84 3.69 0.12 4.03 1.01 0.18 -0.68 120.40 130.59 3kym s VAL 37 Ca 0.04 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 3kym s VAL 37 Cb -0.13 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.10 3kym s VAL 37 CO -0.07 -0.23 0.41 0.00 0.00 0.00 0.00 175.10 175.21 3kym s ARG 38 N -3.92 1.07 -0.16 2.72 1.70 -0.51 -0.25 118.95 119.59 3kym s ARG 38 Ca 0.38 -0.67 -0.05 0.00 -0.47 0.00 0.00 55.73 54.93 3kym s ARG 38 Cb -0.06 0.47 0.08 0.00 -0.57 0.00 0.00 34.95 34.87 3kym s ARG 38 CO 0.25 -0.42 0.29 -1.14 -1.08 0.00 0.00 175.30 173.20 3kym s GLN 39 N -3.69 0.20 0.14 3.89 0.74 -0.95 -0.84 119.66 119.14 3kym s GLN 39 Ca 0.02 0.66 -0.30 0.00 0.05 0.00 0.00 55.36 55.79 3kym s GLN 39 Cb 0.02 -0.26 -0.07 0.00 1.10 0.00 0.00 33.01 33.79 3kym s GLN 39 CO -0.11 -0.39 1.18 0.00 -0.55 0.00 0.00 175.29 175.41 3kym s ALA 40 N 2.44 3.41 -0.13 1.58 0.00 -1.26 -2.16 121.76 125.64 3kym s ALA 40 Ca 0.03 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 3kym s ALA 40 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3kym s ALA 40 CO -0.11 -0.36 0.37 -2.30 0.00 0.00 0.00 175.76 173.37 3kym n PRO 41 N 3.00 0.00 -3.48 0.00 -0.01 -1.26 -0.05 135.00 133.19 3kym n PRO 41 Ca 0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 63.50 63.36 3kym n PRO 41 Cb 0.46 -0.22 0.07 0.00 -0.01 0.00 0.00 33.50 33.79 3kym n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kym n GLY 42 N 1.01 -0.58 0.58 -1.23 0.00 -1.26 -5.04 105.19 98.66 3kym n GLY 42 Ca 0.09 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 3kym n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kym n LYS 43 N -3.96 0.09 -2.56 1.61 4.76 0.92 -5.15 118.16 113.86 3kym n LYS 43 Ca -0.23 -0.56 -0.40 0.00 -2.87 0.00 0.00 58.31 54.26 3kym n LYS 43 Cb 0.65 0.48 -0.05 0.00 -1.84 0.00 0.00 35.03 34.28 3kym n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kym s GLY 44 N -1.40 3.03 0.04 0.72 0.00 -1.26 -4.71 107.32 103.73 3kym s GLY 44 Ca 0.06 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 3kym s GLY 44 CO 0.05 1.36 1.82 1.08 0.00 0.00 0.00 173.10 177.41 3kym s LEU 45 N -1.57 4.39 -0.02 0.66 1.43 -1.26 -4.40 118.68 117.91 3kym s LEU 45 Ca 0.46 2.57 0.04 0.00 -1.03 0.00 0.00 54.13 56.17 3kym s LEU 45 Cb -0.29 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 3kym s LEU 45 CO 0.36 -0.99 -0.13 -1.83 0.23 0.00 0.00 176.35 174.00 3kym s GLU 46 N 3.68 1.17 0.39 1.70 -1.05 -0.02 -5.00 118.70 119.57 3kym s GLU 46 Ca 0.81 -0.46 -0.23 0.00 -0.15 0.00 0.00 54.97 54.95 3kym s GLU 46 Cb -0.41 -1.09 -0.11 0.00 -0.44 0.00 0.00 34.13 32.08 3kym s GLU 46 CO 0.36 0.24 0.95 -0.46 0.95 0.00 0.00 175.26 177.30 3kym s TRP 47 N -0.13 3.44 -0.04 4.83 -0.00 -1.26 -1.43 118.94 124.36 3kym s TRP 47 Ca 0.02 1.67 -0.02 0.00 -0.00 0.00 0.00 56.10 57.77 3kym s TRP 47 Cb -0.07 -2.88 -0.02 0.00 -0.00 0.00 0.00 33.47 30.51 3kym s TRP 47 CO 0.00 -0.00 -0.04 0.28 -0.00 0.00 0.00 176.95 177.18 3kym n VAL 48 N -0.22 0.19 -3.53 5.86 0.31 0.14 -4.75 118.33 116.34 3kym n VAL 48 Ca 0.05 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 3kym n VAL 48 Cb 0.53 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 3kym n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3kym s SER 49 N -5.21 -0.59 -0.03 4.52 0.15 -1.13 -2.88 113.70 108.54 3kym s SER 49 Ca -0.05 0.53 -0.11 0.00 0.70 0.00 0.00 55.95 57.02 3kym s SER 49 Cb 0.02 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.87 3kym s SER 49 CO 0.06 -0.65 0.25 0.86 1.20 0.00 0.00 173.24 174.96 3kym s TRP 50 N -1.64 -0.14 -0.03 3.44 -0.00 -0.88 -0.89 118.94 118.79 3kym s TRP 50 Ca -0.09 0.25 -0.05 0.00 -0.00 0.00 0.00 56.10 56.21 3kym s TRP 50 Cb -0.01 0.05 0.01 0.00 -0.00 0.00 0.00 33.47 33.52 3kym s TRP 50 CO 0.06 -0.30 0.13 -1.50 -0.00 0.00 0.00 176.95 175.34 3kym s ILE 51 N -0.98 0.03 0.78 5.86 2.07 -0.98 -1.10 121.20 126.89 3kym s ILE 51 Ca -0.11 -0.25 -0.11 0.00 -1.41 0.00 0.00 60.65 58.78 3kym s ILE 51 Cb -0.05 -0.27 0.06 0.00 0.13 0.00 0.00 42.46 42.33 3kym s ILE 51 CO 0.02 -0.14 1.10 -0.83 -1.91 0.00 0.00 174.94 173.19 3kym s GLY 52 N -0.43 1.70 0.60 1.50 0.00 0.58 -3.26 107.32 108.01 3kym s GLY 52 Ca -0.05 0.32 0.31 0.00 0.00 0.00 0.00 44.72 45.31 3kym s GLY 52 CO 0.01 0.68 2.23 -2.55 0.00 0.00 0.00 173.10 173.46 3kym h PRO 53 N -1.16 0.00 0.15 2.90 0.11 -1.86 -2.10 132.00 130.05 3kym h PRO 53 Ca -0.44 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 3kym h PRO 53 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kym h PRO 53 CO 0.50 0.00 -1.78 0.66 -0.21 0.00 0.00 178.00 177.18 3kym h SER 54 N 0.00 0.50 0.00 -2.05 4.64 -1.92 -3.43 113.55 111.29 3kym h SER 54 Ca 0.02 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 3kym h SER 54 Cb 0.13 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3kym h SER 54 CO -0.00 1.71 0.00 0.61 -0.87 0.00 0.00 176.83 178.28 3kym n GLY 55 N 1.85 1.12 0.21 -0.77 0.00 -0.79 -4.94 105.19 101.86 3kym n GLY 55 Ca -0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3kym n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kym h GLY 56 N 0.00 0.00 -6.85 -0.02 0.00 -1.93 -3.42 103.07 90.86 3kym h GLY 56 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3kym h GLY 56 CO 0.00 0.00 -0.79 -1.50 0.00 0.00 0.00 176.54 174.25 3kym s ILE 57 N -3.43 0.71 0.15 2.60 2.07 -1.26 -5.03 121.20 117.01 3kym s ILE 57 Ca 0.02 -0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.25 3kym s ILE 57 Cb 0.09 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 3kym s ILE 57 CO 0.66 0.31 -0.13 0.42 -1.91 0.00 0.00 174.94 174.29 3kym s THR 58 N 1.84 3.06 0.03 4.00 -4.23 -1.26 -0.31 115.64 118.77 3kym s THR 58 Ca 0.05 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 3kym s THR 58 Cb -0.12 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3kym s THR 58 CO -0.07 -0.01 0.08 -0.54 -0.54 0.00 0.00 174.62 173.54 3kym s LYS 59 N -2.52 0.55 0.02 3.99 1.02 -0.26 -5.00 119.74 117.55 3kym s LYS 59 Ca 0.22 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.49 3kym s LYS 59 Cb -0.10 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.41 3kym s LYS 59 CO 0.13 -0.13 -0.04 0.71 -0.92 0.00 0.00 175.35 175.10 3kym s TYR 60 N -2.44 0.36 0.33 3.18 2.02 -1.26 -2.07 117.35 117.46 3kym s TYR 60 Ca -0.06 -0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 55.88 3kym s TYR 60 Cb -0.02 -0.24 -0.10 0.00 -0.40 0.00 0.00 41.96 41.20 3kym s TYR 60 CO -0.04 -0.15 0.98 0.00 -1.57 0.00 0.00 175.55 174.77 3kym s ALA 61 N -1.36 3.22 0.06 3.71 0.00 -1.14 -4.93 121.76 121.32 3kym s ALA 61 Ca -0.14 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 3kym s ALA 61 Cb -0.09 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 3kym s ALA 61 CO -0.01 0.07 1.27 -0.44 0.00 0.00 0.00 175.76 176.65 3kym h ASP 62 N 3.20 -0.92 0.00 0.00 3.32 -1.95 -0.77 116.42 119.30 3kym h ASP 62 Ca -0.47 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kym h ASP 62 Cb 1.20 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3kym h ASP 62 CO 0.65 -0.20 0.54 -1.54 -1.72 0.00 0.00 179.24 176.97 3kym n SER 63 N -4.01 0.00 -0.03 6.45 3.41 -1.26 -1.87 113.62 116.31 3kym n SER 63 Ca -0.02 0.18 -0.04 0.00 -0.26 0.00 0.00 58.87 58.73 3kym n SER 63 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3kym n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kym n VAL 64 N -1.32 0.38 -0.88 -3.33 0.31 -0.30 -5.05 118.33 108.15 3kym n VAL 64 Ca 0.00 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.82 3kym n VAL 64 Cb 0.54 -0.78 0.11 0.00 -0.91 0.00 0.00 33.84 32.80 3kym n VAL 64 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kym n LYS 65 N -2.55 -0.19 0.00 5.55 0.00 -0.78 -2.74 118.16 117.46 3kym n LYS 65 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3kym n LYS 65 Cb 0.64 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.82 3kym n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kym n GLY 66 N 1.54 0.93 0.14 2.58 0.00 -1.26 -4.42 105.19 104.70 3kym n GLY 66 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3kym n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kym h ARG 67 N 0.00 0.35 -5.54 1.61 3.08 -1.81 -3.47 114.38 108.61 3kym h ARG 67 Ca 0.00 -0.59 -0.65 0.00 0.07 0.00 0.00 59.98 58.81 3kym h ARG 67 Cb 0.00 0.22 -0.19 0.00 0.08 0.00 0.00 29.97 30.08 3kym h ARG 67 CO 0.00 1.25 -0.65 -0.06 -1.07 0.00 0.00 179.97 179.44 3kym s PHE 68 N -2.58 3.07 -0.14 3.04 2.99 -1.11 -0.37 117.98 122.87 3kym s PHE 68 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 56.93 56.66 3kym s PHE 68 Cb 0.06 -1.91 0.02 0.00 0.00 0.00 0.00 43.02 41.19 3kym s PHE 68 CO 0.84 0.13 -0.14 0.99 -0.00 0.00 0.00 175.22 177.05 3kym s THR 69 N -0.04 1.53 -0.26 0.64 2.01 0.14 -4.79 115.64 114.88 3kym s THR 69 Ca 0.02 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 3kym s THR 69 Cb -0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3kym s THR 69 CO 0.02 0.45 0.57 -0.51 -0.69 0.00 0.00 174.62 174.47 3kym s ILE 70 N 1.48 5.03 0.16 1.82 2.07 -1.26 -1.16 121.20 129.33 3kym s ILE 70 Ca 0.04 1.00 0.07 0.00 -1.41 0.00 0.00 60.65 60.36 3kym s ILE 70 Cb -0.13 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.54 3kym s ILE 70 CO -0.10 0.06 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.90 3kym s SER 71 N 1.51 2.28 0.30 4.50 1.04 -0.87 -4.95 113.70 117.51 3kym s SER 71 Ca 0.24 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.77 3kym s SER 71 Cb -0.16 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.81 3kym s SER 71 CO 0.09 -0.16 0.08 0.00 0.98 0.00 0.00 173.24 174.23 3kym s ARG 72 N -3.17 1.56 -0.36 4.02 1.70 -1.26 -1.13 118.95 120.30 3kym s ARG 72 Ca 0.16 -1.86 0.02 0.00 -0.47 0.00 0.00 55.73 53.58 3kym s ARG 72 Cb -0.03 -0.58 0.15 0.00 -0.57 0.00 0.00 34.95 33.92 3kym s ARG 72 CO 0.05 -0.25 0.34 0.34 -1.08 0.00 0.00 175.30 174.70 3kym s ASP 73 N -3.41 1.47 -0.03 -2.89 2.15 -0.53 -4.97 116.67 108.46 3kym s ASP 73 Ca 0.37 -1.60 -0.12 0.00 0.43 0.00 0.00 52.55 51.63 3kym s ASP 73 Cb 0.08 0.42 -0.07 0.00 -0.30 0.00 0.00 42.92 43.05 3kym s ASP 73 CO 0.15 -0.28 0.58 0.78 -0.17 0.00 0.00 175.17 176.23 3kym h ASN 74 N 7.16 -0.36 0.00 -0.34 2.35 -1.92 -0.75 115.58 121.71 3kym h ASN 74 Ca 0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3kym h ASN 74 Cb 1.04 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3kym h ASN 74 CO 0.22 -0.02 0.00 -1.54 -1.65 0.00 0.00 177.43 174.44 3kym n SER 75 N -4.45 0.43 0.00 5.81 3.41 -1.26 0.86 113.62 118.42 3kym n SER 75 Ca -0.05 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 3kym n SER 75 Cb 0.17 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3kym n SER 75 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3kym n LYS 76 N 0.72 0.47 -1.58 4.33 0.00 -1.20 -5.05 118.16 115.86 3kym n LYS 76 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 3kym n LYS 76 Cb 0.08 -0.04 -0.08 0.00 -0.00 0.00 0.00 35.03 34.99 3kym n LYS 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kym n ASN 77 N 0.00 -5.33 -4.47 -5.58 4.13 0.25 -4.92 115.26 99.34 3kym n ASN 77 Ca 0.00 0.47 -0.30 0.00 1.68 0.00 0.00 54.58 56.43 3kym n ASN 77 Cb 0.00 -4.52 -0.12 0.00 -1.54 0.00 0.00 39.78 33.59 3kym n ASN 77 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3kym s THR 78 N -2.72 2.83 -0.01 3.41 -1.32 -0.94 -0.91 115.64 115.97 3kym s THR 78 Ca 0.00 -1.28 0.06 0.00 -1.21 0.00 0.00 61.69 59.26 3kym s THR 78 Cb 0.00 -2.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 3kym s THR 78 CO 0.00 0.26 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.26 3kym s LEU 79 N -1.68 2.53 0.08 9.08 2.96 0.47 -1.45 118.68 130.67 3kym s LEU 79 Ca 0.16 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 3kym s LEU 79 Cb -0.11 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3kym s LEU 79 CO 0.07 0.31 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.91 3kym s TYR 80 N -0.77 1.58 -0.32 5.38 1.51 -0.28 0.36 117.35 124.81 3kym s TYR 80 Ca 0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3kym s TYR 80 Cb -0.10 -0.89 0.10 0.00 -0.11 0.00 0.00 41.96 40.96 3kym s TYR 80 CO 0.02 0.13 0.09 -1.17 -1.11 0.00 0.00 175.55 173.51 3kym s LEU 81 N -1.67 2.75 -0.45 -1.29 2.96 -0.09 -2.06 118.68 118.83 3kym s LEU 81 Ca 0.04 -1.76 -0.29 0.00 -0.22 0.00 0.00 54.13 51.90 3kym s LEU 81 Cb -0.10 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.59 3kym s LEU 81 CO 0.03 -0.41 1.36 -1.58 -1.32 0.00 0.00 176.35 174.43 3kym s GLN 82 N 1.45 3.57 -0.18 1.98 2.00 -0.31 -0.74 119.66 127.42 3kym s GLN 82 Ca 0.10 0.79 -0.06 0.00 -2.00 0.00 0.00 55.36 54.19 3kym s GLN 82 Cb -0.18 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.58 3kym s GLN 82 CO -0.21 -1.58 0.03 -1.64 -0.50 0.00 0.00 175.29 171.39 3kym s MET 83 N 4.92 3.83 0.10 1.67 -1.94 0.97 0.29 119.30 129.14 3kym s MET 83 Ca 0.57 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 54.19 3kym s MET 83 Cb -0.12 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 3kym s MET 83 CO 0.32 0.19 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.57 3kym s ASN 84 N 0.57 1.86 -1.16 3.03 0.01 0.50 0.21 114.94 119.96 3kym s ASN 84 Ca 0.01 -0.74 -0.07 0.00 -0.71 0.00 0.00 52.86 51.36 3kym s ASN 84 Cb -0.13 -0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.44 3kym s ASN 84 CO 0.02 -0.12 0.84 -0.24 -1.51 0.00 0.00 177.10 176.09 3kym n SER 85 N 0.83 -4.08 -4.74 -1.22 2.88 0.11 -4.66 113.62 102.74 3kym n SER 85 Ca -0.18 -0.79 -0.41 0.00 -1.33 0.00 0.00 58.87 56.16 3kym n SER 85 Cb 0.56 -4.49 -0.04 0.00 -0.75 0.00 0.00 64.21 59.50 3kym n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kym s LEU 86 N -6.14 4.48 0.26 2.46 1.43 -0.50 -4.55 118.68 116.11 3kym s LEU 86 Ca 0.26 2.21 0.07 0.00 -1.03 0.00 0.00 54.13 55.64 3kym s LEU 86 Cb -0.06 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3kym s LEU 86 CO 0.78 -0.30 0.22 -0.13 0.23 0.00 0.00 176.35 177.16 3kym s ARG 87 N -0.51 2.95 0.41 1.70 0.52 -1.26 0.15 118.95 122.90 3kym s ARG 87 Ca 0.50 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 3kym s ARG 87 Cb -0.32 -2.58 0.86 0.00 0.52 0.00 0.00 34.95 33.42 3kym s ARG 87 CO 0.37 0.37 2.05 0.00 0.02 0.00 0.00 175.30 178.11 3kym h ALA 88 N 1.44 1.69 0.00 2.13 0.00 -1.97 0.15 119.26 122.70 3kym h ALA 88 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kym h ALA 88 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kym h ALA 88 CO 0.60 0.27 0.00 -0.85 0.00 0.00 0.00 179.25 179.28 3kym n GLU 89 N -4.46 0.34 -0.00 0.00 0.00 -1.26 -2.25 120.64 113.00 3kym n GLU 89 Ca 0.03 0.08 0.14 0.00 0.00 0.00 0.00 57.16 57.42 3kym n GLU 89 Cb 0.07 -1.50 0.69 0.00 0.00 0.00 0.00 31.44 30.71 3kym n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kym n ASP 90 N -1.24 0.83 -4.67 -1.84 8.00 0.54 -4.88 116.55 113.30 3kym n ASP 90 Ca 0.10 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 3kym n ASP 90 Cb 0.14 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3kym n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kym s THR 91 N -1.99 3.91 -0.04 -3.53 2.01 -0.95 -4.92 115.64 110.12 3kym s THR 91 Ca 0.41 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 63.29 3kym s THR 91 Cb 0.21 -3.76 0.11 0.00 0.01 0.00 0.00 72.50 69.07 3kym s THR 91 CO 0.34 -0.06 1.32 0.00 -0.69 0.00 0.00 174.62 175.53 3kym s ALA 92 N 3.19 -2.48 -0.15 7.40 0.00 -0.91 -4.47 121.76 124.34 3kym s ALA 92 Ca 0.63 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3kym s ALA 92 Cb -0.28 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3kym s ALA 92 CO 0.23 -1.12 0.12 0.95 0.00 0.00 0.00 175.76 175.93 3kym s THR 93 N -2.10 5.29 -0.09 0.00 -4.23 -0.92 -0.56 115.64 113.03 3kym s THR 93 Ca 0.25 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3kym s THR 93 Cb 0.02 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 3kym s THR 93 CO -0.03 0.55 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.22 3kym s TYR 94 N -0.43 2.94 -0.03 3.99 1.51 0.10 -2.24 117.35 123.19 3kym s TYR 94 Ca 0.11 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.13 3kym s TYR 94 Cb -0.12 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 3kym s TYR 94 CO 0.02 0.19 -0.24 0.71 -1.11 0.00 0.00 175.55 175.12 3kym s TYR 95 N -0.44 2.40 0.24 2.71 1.51 0.65 -1.96 117.35 122.46 3kym s TYR 95 Ca 0.06 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3kym s TYR 95 Cb -0.12 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 3kym s TYR 95 CO 0.02 -0.00 0.39 0.00 -1.11 0.00 0.00 175.55 174.85 3kym s ALA 97 N -2.00 -1.44 -0.08 0.00 0.00 -1.20 -2.33 121.76 114.72 3kym s ALA 97 Ca 0.36 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3kym s ALA 97 Cb -0.10 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3kym s ALA 97 CO 0.30 -0.79 -0.19 0.50 0.00 0.00 0.00 175.76 175.59 3kym s ARG 98 N -3.78 2.85 0.35 0.00 3.52 -1.03 -0.31 118.95 120.54 3kym s ARG 98 Ca 0.03 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 3kym s ARG 98 Cb -0.01 -2.37 -0.12 0.00 -1.56 0.00 0.00 34.95 30.89 3kym s ARG 98 CO -0.10 0.36 1.25 -1.91 -0.81 0.00 0.00 175.30 174.09 3kym n GLU 99 N 3.05 2.00 0.00 5.12 2.13 -0.79 -1.44 120.64 130.71 3kym n GLU 99 Ca -0.18 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3kym n GLU 99 Cb 0.52 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.96 3kym n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kym n GLY 100 N 0.84 -3.10 0.00 8.31 0.00 0.45 -4.51 105.19 107.17 3kym n GLY 100 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3kym n GLY 100 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kym n HIS 101 N -1.82 0.00 0.79 1.61 -0.00 -1.26 -4.68 115.22 109.86 3kym n HIS 101 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 3kym n HIS 101 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 3kym n HIS 101 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3kym n ASN 102 N 0.00 0.66 -5.03 0.26 5.03 -1.26 -4.88 115.26 110.04 3kym n ASN 102 Ca 0.00 -0.38 -0.20 0.00 0.87 0.00 0.00 54.58 54.87 3kym n ASN 102 Cb 0.00 0.66 0.07 0.00 -1.02 0.00 0.00 39.78 39.49 3kym n ASN 102 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3kym s ASP 103 N -3.46 5.01 0.00 6.41 -0.00 -1.26 -5.12 116.67 118.25 3kym s ASP 103 Ca 0.07 -0.92 0.00 0.00 -0.00 0.00 0.00 52.55 51.70 3kym s ASP 103 Cb 0.16 0.43 0.00 0.00 -0.00 0.00 0.00 42.92 43.51 3kym s ASP 103 CO 0.78 -1.41 0.00 0.79 -0.00 0.00 0.00 175.17 175.33 3kym n TRP 104 N -2.27 0.00 -0.63 4.23 8.01 -1.26 -4.36 117.44 121.15 3kym n TRP 104 Ca 0.16 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.37 3kym n TRP 104 Cb 0.62 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.91 3kym n TRP 104 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 3kym n TYR 105 N 0.00 -0.43 -4.01 -5.99 0.18 -1.26 -3.23 117.16 102.42 3kym n TYR 105 Ca 0.00 0.24 -0.34 0.00 1.88 0.00 0.00 57.90 59.68 3kym n TYR 105 Cb 0.00 -0.39 -0.15 0.00 -0.38 0.00 0.00 39.34 38.43 3kym n TYR 105 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3kym s PHE 106 N -4.90 3.03 -2.28 -3.48 0.08 -1.26 -0.41 117.98 108.77 3kym s PHE 106 Ca 0.00 -1.69 0.27 0.00 0.12 0.00 0.00 56.93 55.63 3kym s PHE 106 Cb 0.00 -2.01 0.95 0.00 -0.57 0.00 0.00 43.02 41.39 3kym s PHE 106 CO 0.00 -0.77 1.69 -0.40 -0.10 0.00 0.00 175.22 175.64 3kym n ASP 107 N 4.62 1.37 -3.69 1.36 5.75 -0.52 -4.84 116.55 120.60 3kym n ASP 107 Ca -0.17 -1.32 -0.14 0.00 -0.01 0.00 0.00 54.79 53.15 3kym n ASP 107 Cb 0.47 0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 3kym n ASP 107 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3kym s LEU 108 N -2.15 0.18 0.25 -2.12 2.96 -1.25 -4.99 118.68 111.55 3kym s LEU 108 Ca 0.34 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3kym s LEU 108 Cb 0.20 1.70 -0.05 0.00 0.50 0.00 0.00 46.19 48.55 3kym s LEU 108 CO 0.39 -0.28 0.09 0.26 -1.32 0.00 0.00 176.35 175.49 3kym s TRP 109 N -0.26 1.48 0.48 5.38 0.52 -1.26 -2.48 118.94 122.80 3kym s TRP 109 Ca -0.04 -1.19 0.07 0.00 0.02 0.00 0.00 56.10 54.95 3kym s TRP 109 Cb -0.03 -0.85 0.00 0.00 -1.15 0.00 0.00 33.47 31.44 3kym s TRP 109 CO 0.03 -0.36 0.37 0.20 0.02 0.00 0.00 176.95 177.20 3kym s GLY 110 N -3.29 2.27 0.18 0.98 0.00 -0.98 -4.39 107.32 102.09 3kym s GLY 110 Ca 0.37 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 3kym s GLY 110 CO 0.13 -1.85 1.44 -0.09 0.00 0.00 0.00 173.10 172.73 3kym h ARG 111 N 0.94 0.36 0.00 2.90 2.43 -1.92 -3.45 114.38 115.64 3kym h ARG 111 Ca -0.39 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 3kym h ARG 111 Cb 1.28 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kym h ARG 111 CO 0.59 0.94 0.00 0.41 -1.51 0.00 0.00 179.97 180.40 3kym n GLY 112 N 0.56 2.65 3.01 2.80 0.00 -1.26 -4.99 105.19 107.97 3kym n GLY 112 Ca -0.04 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3kym n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kym s THR 113 N -1.99 0.13 -0.38 2.61 -4.23 -0.83 -4.76 115.64 106.20 3kym s THR 113 Ca 0.00 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 3kym s THR 113 Cb 0.00 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.35 3kym s THR 113 CO 0.00 -0.58 0.66 -0.22 -0.54 0.00 0.00 174.62 173.94 3kym s LEU 114 N -1.71 4.28 -0.23 4.79 2.96 -1.26 -0.72 118.68 126.78 3kym s LEU 114 Ca -0.12 0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 3kym s LEU 114 Cb -0.07 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 3kym s LEU 114 CO -0.02 -0.66 0.42 -0.69 -1.32 0.00 0.00 176.35 174.07 3kym s VAL 115 N 2.80 5.16 -0.18 1.68 1.01 0.28 -1.01 120.40 130.15 3kym s VAL 115 Ca 0.25 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.95 3kym s VAL 115 Cb -0.14 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.52 3kym s VAL 115 CO 0.16 0.19 -0.19 -0.89 0.00 0.00 0.00 175.10 174.37 3kym s THR 116 N 1.74 2.04 -0.40 3.92 2.01 -1.02 -2.14 115.64 121.78 3kym s THR 116 Ca 0.18 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 3kym s THR 116 Cb -0.15 -1.85 0.07 0.00 0.01 0.00 0.00 72.50 70.58 3kym s THR 116 CO 0.09 0.52 0.22 -0.69 -0.69 0.00 0.00 174.62 174.07 3kym s VAL 117 N 1.30 4.05 -0.13 3.82 1.01 -1.26 -0.95 120.40 128.24 3kym s VAL 117 Ca 0.05 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.36 3kym s VAL 117 Cb -0.13 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.85 3kym s VAL 117 CO -0.13 -0.45 0.65 -0.55 0.00 0.00 0.00 175.10 174.62 3kym s SER 118 N 1.94 -0.64 0.26 3.32 0.15 0.13 -4.68 113.70 114.17 3kym s SER 118 Ca 0.02 0.94 0.24 0.00 0.70 0.00 0.00 55.95 57.85 3kym s SER 118 Cb -0.22 0.87 0.43 0.00 -1.71 0.00 0.00 66.02 65.39 3kym s SER 118 CO 0.02 -0.44 1.50 0.77 1.20 0.00 0.00 173.24 176.28 3kym h SER 119 N 3.92 0.00 -2.01 5.45 4.64 -1.94 -3.22 113.55 120.39 3kym h SER 119 Ca -0.28 -0.05 -0.63 0.00 -0.47 0.00 0.00 61.79 60.36 3kym h SER 119 Cb 1.15 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.28 3kym h SER 119 CO 0.26 0.03 0.91 0.00 -0.87 0.00 0.00 176.83 177.15 3kym n ALA 120 N -1.95 0.70 -1.98 5.18 0.00 -1.26 -4.95 120.51 116.25 3kym n ALA 120 Ca 0.04 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.61 3kym n ALA 120 Cb 0.48 -2.37 0.05 0.00 0.00 0.00 0.00 19.45 17.61 3kym n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kym s SER 121 N 2.59 5.08 0.28 0.00 1.04 -1.26 -4.97 113.70 116.47 3kym s SER 121 Ca 0.88 0.32 -0.29 0.00 0.48 0.00 0.00 55.95 57.34 3kym s SER 121 Cb -0.76 -1.11 -0.10 0.00 0.10 0.00 0.00 66.02 64.15 3kym s SER 121 CO 0.48 -1.36 1.20 0.42 0.98 0.00 0.00 173.24 174.96 3kym s THR 122 N -3.04 3.19 -0.01 2.02 -4.23 -1.26 -4.78 115.64 107.53 3kym s THR 122 Ca 0.58 1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 3kym s THR 122 Cb -0.11 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.01 3kym s THR 122 CO 0.42 0.26 0.03 -0.75 -0.54 0.00 0.00 174.62 174.04 3kym s LYS 123 N -1.35 0.01 0.18 3.99 2.20 0.28 -4.97 119.74 120.09 3kym s LYS 123 Ca 0.48 0.08 -0.25 0.00 -0.36 0.00 0.00 55.97 55.92 3kym s LYS 123 Cb -0.35 -0.06 -0.08 0.00 -1.51 0.00 0.00 37.83 35.82 3kym s LYS 123 CO 0.45 -0.05 0.80 0.20 -0.36 0.00 0.00 175.35 176.38 3kym s GLY 124 N 0.33 2.92 0.99 5.54 0.00 -1.26 -1.36 107.32 114.47 3kym s GLY 124 Ca -0.03 0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.91 3kym s GLY 124 CO -0.01 0.88 1.32 2.56 0.00 0.00 0.00 173.10 177.85 3kym s PRO 125 N -1.25 0.45 0.02 2.90 0.04 -1.26 -4.70 135.00 131.21 3kym s PRO 125 Ca 0.37 -0.41 0.05 0.00 0.04 0.00 0.00 61.00 61.06 3kym s PRO 125 Cb -0.23 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3kym s PRO 125 CO 0.26 -2.54 -0.14 -1.12 0.04 0.00 0.00 177.00 173.51 3kym s SER 126 N -4.84 4.12 -0.26 6.66 0.01 -0.28 -4.95 113.70 114.16 3kym s SER 126 Ca 0.74 -0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.67 3kym s SER 126 Cb -0.04 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.41 3kym s SER 126 CO 0.53 0.27 -0.02 -0.69 0.41 0.00 0.00 173.24 173.75 3kym s VAL 127 N -0.94 3.18 -0.10 3.43 1.01 -1.26 -1.27 120.40 124.46 3kym s VAL 127 Ca 0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3kym s VAL 127 Cb -0.11 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3kym s VAL 127 CO 0.06 0.15 -0.04 -0.36 0.00 0.00 0.00 175.10 174.91 3kym s PHE 128 N 1.37 3.03 0.12 5.22 0.08 -0.29 -4.92 117.98 122.58 3kym s PHE 128 Ca 0.00 -0.00 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 3kym s PHE 128 Cb -0.17 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.43 3kym s PHE 128 CO -0.02 0.28 0.97 -1.25 -0.10 0.00 0.00 175.22 175.10 3kym s PRO 129 N -0.54 4.70 -0.40 0.24 0.04 -1.26 0.46 135.00 138.23 3kym s PRO 129 Ca 0.09 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 3kym s PRO 129 Cb -0.12 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 31.07 3kym s PRO 129 CO 0.02 0.22 0.37 -0.51 0.04 0.00 0.00 177.00 177.14 3kym s LEU 130 N -0.04 4.89 -0.07 -3.56 1.43 0.36 -4.86 118.68 116.82 3kym s LEU 130 Ca 0.47 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3kym s LEU 130 Cb -0.24 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.72 3kym s LEU 130 CO 0.30 -0.49 -0.02 0.00 0.23 0.00 0.00 176.35 176.37 3kym s ALA 131 N 1.94 0.78 0.39 4.21 0.00 -1.26 -1.19 121.76 126.63 3kym s ALA 131 Ca 0.09 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 3kym s ALA 131 Cb -0.18 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 3kym s ALA 131 CO 0.12 -0.34 1.44 -1.25 0.00 0.00 0.00 175.76 175.73 3kym s PRO 132 N 1.67 4.03 0.00 0.00 0.04 -1.26 -4.84 135.00 134.64 3kym s PRO 132 Ca 0.01 2.46 0.14 0.00 0.04 0.00 0.00 61.00 63.65 3kym s PRO 132 Cb -0.13 -2.89 0.81 0.00 0.04 0.00 0.00 34.50 32.33 3kym s PRO 132 CO -0.04 -0.55 1.46 0.00 0.04 0.00 0.00 177.00 177.91 3kym n SER 134 N -0.73 -1.07 -2.53 0.00 2.88 -1.26 -4.98 113.62 105.93 3kym n SER 134 Ca 0.10 0.84 -0.17 0.00 -1.33 0.00 0.00 58.87 58.32 3kym n SER 134 Cb 0.05 -0.72 0.02 0.00 -0.75 0.00 0.00 64.21 62.80 3kym n SER 134 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3kym n ARG 135 N 0.79 2.43 0.00 -1.46 -4.01 -1.26 -5.09 116.66 108.06 3kym n ARG 135 Ca 0.13 -3.90 0.00 0.00 -1.04 0.00 0.00 57.85 53.05 3kym n ARG 135 Cb 0.20 -1.82 0.00 0.00 -3.04 0.00 0.00 32.46 27.81 3kym n ARG 135 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3kym n SER 136 N -0.37 0.00 -1.15 2.89 3.41 -1.26 -5.20 113.62 111.94 3kym n SER 136 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3kym n SER 136 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3kym n SER 136 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kym n THR 137 N 0.00 -4.08 -1.39 6.66 -2.24 -1.26 -4.97 114.28 107.00 3kym n THR 137 Ca 0.00 1.71 0.00 0.00 -2.27 0.00 0.00 64.05 63.49 3kym n THR 137 Cb 0.00 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 3kym n THR 137 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kym n SER 138 N -0.71 -1.40 -2.74 3.42 2.88 -1.26 -4.97 113.62 108.84 3kym n SER 138 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3kym n SER 138 Cb 0.00 -0.42 0.09 0.00 -0.75 0.00 0.00 64.21 63.13 3kym n SER 138 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3kym n GLU 139 N -1.62 1.48 0.00 -1.46 4.07 -1.26 -5.11 120.64 116.74 3kym n GLU 139 Ca 0.00 -2.32 0.00 0.00 -0.06 0.00 0.00 57.16 54.78 3kym n GLU 139 Cb 0.28 -0.54 0.00 0.00 -0.06 0.00 0.00 31.44 31.12 3kym n GLU 139 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3kym n SER 140 N -0.99 0.00 -4.92 4.31 3.41 -1.26 -4.68 113.62 109.49 3kym n SER 140 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.28 3kym n SER 140 Cb 0.84 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3kym n SER 140 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kym s THR 141 N 0.00 5.12 0.10 6.66 -4.23 -1.26 -0.91 115.64 121.12 3kym s THR 141 Ca 0.00 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 3kym s THR 141 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 3kym s THR 141 CO 0.00 -0.24 -0.09 0.00 -0.54 0.00 0.00 174.62 173.75 3kym s ALA 142 N -1.97 1.05 0.17 3.99 0.00 0.12 -4.86 121.76 120.26 3kym s ALA 142 Ca 0.41 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 51.25 3kym s ALA 142 Cb -0.11 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3kym s ALA 142 CO 0.29 -0.11 -0.23 0.00 0.00 0.00 0.00 175.76 175.72 3kym s ALA 143 N -2.81 2.54 0.26 0.00 0.00 -1.26 -1.32 121.76 119.16 3kym s ALA 143 Ca 0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.40 3kym s ALA 143 Cb -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3kym s ALA 143 CO -0.01 0.48 0.38 -0.48 0.00 0.00 0.00 175.76 176.12 3kym s LEU 144 N -2.48 0.73 0.00 0.00 0.05 -1.01 -4.54 118.68 111.43 3kym s LEU 144 Ca 0.19 -1.20 -0.05 0.00 0.05 0.00 0.00 54.13 53.12 3kym s LEU 144 Cb -0.09 1.31 0.02 0.00 -2.05 0.00 0.00 46.19 45.38 3kym s LEU 144 CO 0.09 -1.10 0.24 0.61 -0.55 0.00 0.00 176.35 175.65 3kym n GLY 145 N -0.40 0.36 3.07 -3.48 0.00 -0.33 -0.69 105.19 103.73 3kym n GLY 145 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3kym n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kym s LEU 147 N -0.20 4.03 -0.51 0.00 2.96 0.17 -1.59 118.68 123.54 3kym s LEU 147 Ca 0.03 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 3kym s LEU 147 Cb -0.06 -2.05 0.13 0.00 0.50 0.00 0.00 46.19 44.71 3kym s LEU 147 CO -0.00 0.13 0.38 -0.69 -1.32 0.00 0.00 176.35 174.85 3kym s VAL 148 N 0.68 4.21 0.16 1.68 1.01 0.13 -1.13 120.40 127.13 3kym s VAL 148 Ca 0.06 -1.98 0.07 0.00 0.00 0.00 0.00 61.98 60.13 3kym s VAL 148 Cb -0.12 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3kym s VAL 148 CO 0.01 -0.80 -0.01 -0.75 0.00 0.00 0.00 175.10 173.54 3kym s LYS 149 N 1.10 2.38 -1.22 2.72 2.20 -0.40 -1.24 119.74 125.28 3kym s LYS 149 Ca 0.08 -1.07 -0.03 0.00 -0.36 0.00 0.00 55.97 54.58 3kym s LYS 149 Cb -0.24 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 3kym s LYS 149 CO -0.02 0.47 0.81 -0.25 -0.36 0.00 0.00 175.35 176.00 3kym n ASP 150 N 0.05 -2.65 -4.54 1.43 8.00 -0.95 -1.12 116.55 116.77 3kym n ASP 150 Ca -0.10 -0.78 -0.24 0.00 0.71 0.00 0.00 54.79 54.37 3kym n ASP 150 Cb 0.54 -4.39 -0.09 0.00 -0.02 0.00 0.00 41.12 37.16 3kym n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3kym s TYR 151 N -3.54 2.42 -0.28 1.24 -0.85 -0.83 -4.30 117.35 111.22 3kym s TYR 151 Ca 0.12 -0.36 -0.26 0.00 -0.52 0.00 0.00 57.07 56.06 3kym s TYR 151 Cb -0.03 -1.18 0.17 0.00 0.38 0.00 0.00 41.96 41.30 3kym s TYR 151 CO 0.79 0.64 1.30 0.12 -1.52 0.00 0.00 175.55 176.88 3kym s PHE 152 N -2.50 -0.18 0.00 -3.49 5.36 -0.47 -0.62 117.98 116.09 3kym s PHE 152 Ca 0.31 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 3kym s PHE 152 Cb -0.03 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 3kym s PHE 152 CO 0.17 -0.10 0.00 -0.35 -1.46 0.00 0.00 175.22 173.48 3kym n PRO 153 N 1.52 1.04 -1.68 10.12 -0.04 -1.26 0.10 135.00 144.80 3kym n PRO 153 Ca -0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 3kym n PRO 153 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 3kym n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kym s GLU 154 N -0.57 2.63 0.52 0.54 2.02 -1.26 -4.75 118.70 117.83 3kym s GLU 154 Ca 0.00 0.67 0.03 0.00 0.02 0.00 0.00 54.97 55.69 3kym s GLU 154 Cb 0.00 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3kym s GLU 154 CO 0.00 -1.25 0.73 -1.25 0.02 0.00 0.00 175.26 173.51 3kym s PRO 155 N -5.19 2.58 -0.03 0.39 0.04 -1.26 -4.97 135.00 126.56 3kym s PRO 155 Ca 0.59 -0.93 0.06 0.00 0.04 0.00 0.00 61.00 60.75 3kym s PRO 155 Cb -0.13 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3kym s PRO 155 CO 0.54 -0.63 -0.21 0.08 0.04 0.00 0.00 177.00 176.82 3kym s VAL 156 N -2.67 1.69 0.14 -0.36 1.01 -1.26 -4.59 120.40 114.36 3kym s VAL 156 Ca 0.57 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3kym s VAL 156 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kym s VAL 156 CO 0.37 0.48 0.01 0.42 0.00 0.00 0.00 175.10 176.38 3kym s THR 157 N -0.27 3.91 -0.01 3.92 -4.23 -1.01 -5.02 115.64 112.93 3kym s THR 157 Ca 0.02 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 3kym s THR 157 Cb -0.10 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.81 3kym s THR 157 CO 0.01 -0.02 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.36 3kym s VAL 158 N -1.57 0.16 0.26 2.29 1.01 -1.26 -2.04 120.40 119.25 3kym s VAL 158 Ca 0.27 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3kym s VAL 158 Cb -0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 3kym s VAL 158 CO 0.19 0.07 -0.02 -0.94 0.00 0.00 0.00 175.10 174.40 3kym s SER 159 N 0.20 2.23 -0.20 3.32 1.04 -0.77 -4.96 113.70 114.56 3kym s SER 159 Ca -0.02 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 3kym s SER 159 Cb -0.04 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 3kym s SER 159 CO -0.01 -0.46 -0.09 0.26 0.98 0.00 0.00 173.24 173.93 3kym s TRP 160 N -3.25 2.90 -1.36 5.02 0.52 -1.26 0.37 118.94 121.88 3kym s TRP 160 Ca 0.29 -1.07 -0.07 0.00 0.02 0.00 0.00 56.10 55.28 3kym s TRP 160 Cb 0.05 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3kym s TRP 160 CO 0.10 -0.57 0.90 0.09 0.02 0.00 0.00 176.95 177.50 3kym n ASN 161 N 4.61 -6.05 -0.95 2.95 3.02 0.72 -1.90 115.26 117.66 3kym n ASN 161 Ca -0.19 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 3kym n ASN 161 Cb 0.51 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 34.91 3kym n ASN 161 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kym n SER 162 N -2.56 -3.70 0.00 6.41 7.64 -1.26 -2.73 113.62 117.42 3kym n SER 162 Ca -0.04 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3kym n SER 162 Cb 0.58 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.22 3kym n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kym n GLY 163 N -1.36 0.77 0.18 0.23 0.00 -1.14 -4.93 105.19 98.95 3kym n GLY 163 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 3kym n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kym h ALA 164 N 0.00 0.92 -2.92 4.61 0.00 -1.51 -3.41 119.26 116.95 3kym h ALA 164 Ca 0.00 -0.50 -0.68 0.00 0.00 0.00 0.00 54.91 53.73 3kym h ALA 164 Cb 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 17.46 3kym h ALA 164 CO 0.00 0.68 -0.57 -1.17 0.00 0.00 0.00 179.25 178.19 3kym s LEU 165 N -8.08 4.16 0.00 0.00 2.96 -0.80 -4.89 118.68 112.03 3kym s LEU 165 Ca -0.04 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 3kym s LEU 165 Cb 0.12 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3kym s LEU 165 CO 0.79 -0.24 0.00 0.35 -1.32 0.00 0.00 176.35 175.93 3kym n THR 166 N 4.94 0.00 -3.47 3.68 -2.24 -1.26 -4.14 114.28 111.78 3kym n THR 166 Ca -0.14 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 3kym n THR 166 Cb 0.48 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3kym n THR 166 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kym s SER 167 N -0.63 6.56 0.00 3.42 0.01 -1.26 -3.64 113.70 118.16 3kym s SER 167 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 3kym s SER 167 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3kym s SER 167 CO 0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3kym n GLY 168 N 3.11 1.39 3.72 3.44 0.00 -1.26 -4.79 105.19 110.80 3kym n GLY 168 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kym n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kym s VAL 169 N -3.44 3.90 -0.10 1.61 1.01 -1.24 -2.42 120.40 119.72 3kym s VAL 169 Ca 0.00 1.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3kym s VAL 169 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.50 3kym s VAL 169 CO 0.00 0.15 0.01 -1.00 0.00 0.00 0.00 175.10 174.26 3kym s HIS 170 N 0.70 0.72 -0.37 5.22 3.76 0.14 -4.99 115.29 120.46 3kym s HIS 170 Ca 0.57 -0.30 -0.06 0.00 -0.15 0.00 0.00 55.06 55.12 3kym s HIS 170 Cb -0.30 -0.84 0.06 0.00 1.11 0.00 0.00 32.58 32.61 3kym s HIS 170 CO 0.31 -0.39 0.15 0.99 -0.85 0.00 0.00 174.74 174.95 3kym s THR 171 N 1.96 3.68 0.43 1.30 2.01 -1.26 -0.61 115.64 123.14 3kym s THR 171 Ca 0.04 -1.41 -0.25 0.00 0.31 0.00 0.00 61.69 60.38 3kym s THR 171 Cb -0.13 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 3kym s THR 171 CO -0.06 -0.34 1.23 -0.36 -0.69 0.00 0.00 174.62 174.40 3kym s PHE 172 N 1.34 2.86 0.70 4.92 0.40 -0.95 -4.99 117.98 122.27 3kym s PHE 172 Ca 0.01 1.48 -0.16 0.00 -0.60 0.00 0.00 56.93 57.66 3kym s PHE 172 Cb -0.21 -3.53 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 3kym s PHE 172 CO 0.01 -1.78 0.79 -0.35 0.70 0.00 0.00 175.22 174.58 3kym n PRO 173 N -0.12 0.46 -2.65 0.24 -0.04 -1.26 -4.67 135.00 126.96 3kym n PRO 173 Ca 0.05 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 3kym n PRO 173 Cb 0.46 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 3kym n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kym s ALA 174 N -1.82 3.29 0.03 0.55 0.00 -1.26 -4.88 121.76 117.67 3kym s ALA 174 Ca 0.71 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.36 3kym s ALA 174 Cb -0.36 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3kym s ALA 174 CO 0.53 -0.08 -0.02 0.08 0.00 0.00 0.00 175.76 176.26 3kym s VAL 175 N -0.12 3.93 -0.39 0.00 1.01 -1.11 -4.97 120.40 118.76 3kym s VAL 175 Ca 0.48 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 3kym s VAL 175 Cb -0.26 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3kym s VAL 175 CO 0.32 0.30 0.61 -0.22 0.00 0.00 0.00 175.10 176.11 3kym s LEU 176 N -1.74 4.37 1.06 3.92 0.20 -1.26 -2.66 118.68 122.57 3kym s LEU 176 Ca 0.20 -0.08 -0.15 0.00 0.69 0.00 0.00 54.13 54.79 3kym s LEU 176 Cb -0.11 -2.72 0.22 0.00 -0.43 0.00 0.00 46.19 43.15 3kym s LEU 176 CO 0.12 -0.64 1.12 -1.10 -0.29 0.00 0.00 176.35 175.56 3kym s GLN 177 N 2.68 -0.10 -0.00 1.98 -0.21 -0.32 -4.91 119.66 118.78 3kym s GLN 177 Ca 0.22 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.79 3kym s GLN 177 Cb -0.15 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.16 3kym s GLN 177 CO 0.16 -3.01 0.62 -1.13 -2.12 0.00 0.00 175.29 169.81 3kym n SER 178 N -4.31 1.47 -0.15 5.90 3.41 -1.26 -2.48 113.62 116.20 3kym n SER 178 Ca 0.09 -2.01 0.02 0.00 -0.26 0.00 0.00 58.87 56.71 3kym n SER 178 Cb 0.59 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3kym n SER 178 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kym n SER 179 N 0.11 1.62 -0.04 4.04 3.41 -1.26 -4.97 113.62 116.53 3kym n SER 179 Ca 0.00 -1.44 -0.00 0.00 -0.26 0.00 0.00 58.87 57.17 3kym n SER 179 Cb 0.31 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3kym n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kym n GLY 180 N 0.04 0.46 3.54 5.00 0.00 -1.04 -5.03 105.19 108.17 3kym n GLY 180 Ca 0.02 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3kym n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kym s LEU 181 N -0.11 2.99 0.66 0.99 1.43 -1.26 -4.90 118.68 118.47 3kym s LEU 181 Ca 0.00 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3kym s LEU 181 Cb 0.00 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3kym s LEU 181 CO 0.00 0.35 1.01 -0.31 0.23 0.00 0.00 176.35 177.63 3kym s TYR 182 N -0.80 3.27 -0.24 0.29 1.51 0.21 -1.18 117.35 120.41 3kym s TYR 182 Ca 0.12 0.84 -0.27 0.00 -1.01 0.00 0.00 57.07 56.76 3kym s TYR 182 Cb -0.11 -2.94 0.13 0.00 -0.11 0.00 0.00 41.96 38.93 3kym s TYR 182 CO 0.02 -1.04 1.03 0.45 -1.11 0.00 0.00 175.55 174.90 3kym s SER 183 N -4.34 -0.41 0.16 2.29 0.15 -1.09 -1.96 113.70 108.50 3kym s SER 183 Ca 0.56 0.70 -0.15 0.00 0.70 0.00 0.00 55.95 57.76 3kym s SER 183 Cb -0.11 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 3kym s SER 183 CO 0.49 -0.21 0.44 -1.48 1.20 0.00 0.00 173.24 173.67 3kym s LEU 184 N -0.20 0.35 0.08 3.45 0.05 -0.37 -2.76 118.68 119.28 3kym s LEU 184 Ca 0.02 -0.48 0.06 0.00 0.05 0.00 0.00 54.13 53.78 3kym s LEU 184 Cb -0.04 1.87 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 3kym s LEU 184 CO -0.04 -0.95 -0.09 -0.55 -0.55 0.00 0.00 176.35 174.17 3kym s SER 185 N -2.86 4.45 -0.04 1.48 0.15 -1.26 0.21 113.70 115.83 3kym s SER 185 Ca 0.08 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.44 3kym s SER 185 Cb 0.01 -0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 63.42 3kym s SER 185 CO -0.06 0.20 -0.17 -0.55 1.20 0.00 0.00 173.24 173.86 3kym s SER 186 N -2.05 2.13 0.05 5.45 0.15 -0.62 -2.23 113.70 116.59 3kym s SER 186 Ca 0.21 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.47 3kym s SER 186 Cb -0.11 -0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 3kym s SER 186 CO 0.13 0.16 0.05 0.68 1.20 0.00 0.00 173.24 175.45 3kym s VAL 187 N -0.01 0.17 -0.16 4.45 -7.23 0.22 -0.58 120.40 117.27 3kym s VAL 187 Ca -0.03 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 3kym s VAL 187 Cb -0.11 -1.24 0.08 0.00 0.56 0.00 0.00 36.38 35.67 3kym s VAL 187 CO 0.02 -0.79 0.30 0.54 -0.31 0.00 0.00 175.10 174.85 3kym s VAL 188 N -3.41 -0.46 0.35 1.32 0.11 0.14 0.23 120.40 118.68 3kym s VAL 188 Ca 0.02 0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 59.06 3kym s VAL 188 Cb 0.04 -0.54 -0.10 0.00 -1.53 0.00 0.00 36.38 34.25 3kym s VAL 188 CO -0.08 0.06 0.86 0.42 -3.33 0.00 0.00 175.10 173.03 3kym s THR 189 N 2.46 4.45 -0.17 5.04 -4.23 -1.01 -2.39 115.64 119.78 3kym s THR 189 Ca 0.02 1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 61.64 3kym s THR 189 Cb -0.13 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.09 3kym s THR 189 CO -0.10 -0.12 0.87 0.68 -0.54 0.00 0.00 174.62 175.41 3kym s VAL 190 N -1.92 0.00 0.80 2.29 -7.23 -0.44 -4.64 120.40 109.26 3kym s VAL 190 Ca 0.55 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.60 3kym s VAL 190 Cb -0.12 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.89 3kym s VAL 190 CO 0.17 0.00 1.11 -2.84 -0.31 0.00 0.00 175.10 173.24 3kym s PRO 191 N -0.58 2.09 0.12 4.82 0.02 -1.26 0.14 135.00 140.35 3kym s PRO 191 Ca -0.03 0.50 -0.04 0.00 0.02 0.00 0.00 61.00 61.44 3kym s PRO 191 Cb -0.02 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 3kym s PRO 191 CO 0.02 -1.58 1.29 0.77 -0.33 0.00 0.00 177.00 177.17 3kym h SER 192 N -1.06 0.53 -0.18 2.53 0.02 -1.36 -3.30 113.55 110.73 3kym h SER 192 Ca -0.47 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.09 3kym h SER 192 Cb 1.28 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 3kym h SER 192 CO 0.61 1.24 -0.13 0.77 -1.14 0.00 0.00 176.83 178.19 3kym h SER 193 N 0.22 -0.41 -0.04 3.07 4.64 -1.94 -2.38 113.55 116.71 3kym h SER 193 Ca -0.08 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3kym h SER 193 Cb 1.61 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3kym h SER 193 CO 0.17 -0.16 0.06 0.78 -0.87 0.00 0.00 176.83 176.80 3kym h ASN 194 N -0.13 0.00 -0.21 4.97 2.35 -1.98 0.61 115.58 121.20 3kym h ASN 194 Ca 0.11 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3kym h ASN 194 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3kym h ASN 194 CO -0.26 0.00 0.22 -0.26 -1.65 0.00 0.00 177.43 175.47 3kym h PHE 195 N 0.00 0.00 -0.90 1.19 0.04 -1.51 -0.71 116.94 115.05 3kym h PHE 195 Ca 0.02 0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.01 3kym h PHE 195 Cb 0.14 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.17 3kym h PHE 195 CO 0.00 0.00 0.40 0.78 -0.60 0.00 0.00 178.31 178.89 3kym h GLY 196 N 0.00 1.54 0.00 -1.45 0.00 0.19 -3.34 103.07 100.01 3kym h GLY 196 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kym h GLY 196 CO -0.00 -0.25 -0.06 -1.30 0.00 0.00 0.00 176.54 174.92 3kym n THR 197 N -5.03 0.00 -3.43 4.70 -2.24 -0.93 -5.10 114.28 102.25 3kym n THR 197 Ca 0.22 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 3kym n THR 197 Cb 0.65 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 3kym n THR 197 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3kym s GLN 198 N -0.58 3.56 0.09 -0.78 -0.44 -0.32 -5.10 119.66 116.09 3kym s GLN 198 Ca 0.00 -0.18 0.08 0.00 -2.50 0.00 0.00 55.36 52.76 3kym s GLN 198 Cb 0.00 -2.69 -0.04 0.00 -1.64 0.00 0.00 33.01 28.64 3kym s GLN 198 CO 0.00 0.23 -0.14 0.99 0.50 0.00 0.00 175.29 176.87 3kym s THR 199 N -2.11 3.10 -0.39 -0.34 2.01 -1.26 -4.83 115.64 111.82 3kym s THR 199 Ca 0.41 -1.32 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3kym s THR 199 Cb -0.10 -2.41 0.12 0.00 0.01 0.00 0.00 72.50 70.11 3kym s THR 199 CO 0.32 0.16 0.17 -0.31 -0.69 0.00 0.00 174.62 174.26 3kym s TYR 200 N -1.13 2.15 -0.12 4.92 1.51 -1.26 -5.00 117.35 118.41 3kym s TYR 200 Ca 0.19 -2.30 -0.05 0.00 -1.01 0.00 0.00 57.07 53.90 3kym s TYR 200 Cb -0.11 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3kym s TYR 200 CO 0.11 -0.83 0.07 -0.08 -1.11 0.00 0.00 175.55 173.71 3kym s THR 201 N 0.80 4.90 -0.10 -0.71 -1.32 -1.26 -1.21 115.64 116.74 3kym s THR 201 Ca 0.14 -0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.53 3kym s THR 201 Cb -0.22 -3.13 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 3kym s THR 201 CO -0.09 0.57 0.18 0.00 -2.21 0.00 0.00 174.62 173.08 3kym s ASN 203 N -1.09 5.04 -0.18 0.00 -0.87 0.16 -2.34 114.94 115.66 3kym s ASN 203 Ca 0.17 -1.07 -0.06 0.00 -1.57 0.00 0.00 52.86 50.33 3kym s ASN 203 Cb -0.13 -1.80 -0.03 0.00 -0.02 0.00 0.00 41.25 39.27 3kym s ASN 203 CO 0.06 -0.26 0.03 -0.69 -2.57 0.00 0.00 177.10 173.67 3kym s VAL 204 N 1.37 4.43 -0.19 1.60 1.01 -0.51 -1.85 120.40 126.25 3kym s VAL 204 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kym s VAL 204 Cb -0.19 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.25 3kym s VAL 204 CO 0.01 0.46 -0.06 -0.62 0.00 0.00 0.00 175.10 174.89 3kym s ASP 205 N 0.50 3.26 -0.19 3.32 2.15 -0.87 -0.27 116.67 124.57 3kym s ASP 205 Ca 0.01 -0.87 0.01 0.00 0.43 0.00 0.00 52.55 52.12 3kym s ASP 205 Cb -0.13 -1.04 0.04 0.00 -0.30 0.00 0.00 42.92 41.49 3kym s ASP 205 CO 0.02 -0.20 -0.10 -2.28 -0.17 0.00 0.00 175.17 172.44 3kym s HIS 206 N 1.53 2.30 -0.05 -5.34 5.65 0.35 -2.41 115.29 117.32 3kym s HIS 206 Ca -0.02 -1.51 0.01 0.00 0.25 0.00 0.00 55.06 53.80 3kym s HIS 206 Cb -0.17 -1.59 -0.25 0.00 -1.18 0.00 0.00 32.58 29.39 3kym s HIS 206 CO -0.07 -0.72 0.64 0.87 -0.65 0.00 0.00 174.74 174.80 3kym h LYS 207 N 8.00 0.16 0.00 2.88 1.57 -1.84 0.22 116.57 127.56 3kym h LYS 207 Ca -0.27 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3kym h LYS 207 Cb 1.10 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kym h LYS 207 CO 0.46 0.93 0.00 -2.30 -0.57 0.00 0.00 179.45 177.97 3kym n PRO 208 N -3.32 0.15 -0.46 3.15 -0.02 -1.26 -2.28 135.00 130.95 3kym n PRO 208 Ca -0.21 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3kym n PRO 208 Cb 1.05 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 33.03 3kym n PRO 208 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kym n SER 209 N -1.30 0.11 -3.92 2.55 3.41 -1.24 -4.97 113.62 108.26 3kym n SER 209 Ca 0.05 -2.02 -0.25 0.00 -0.26 0.00 0.00 58.87 56.39 3kym n SER 209 Cb 0.09 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 3kym n SER 209 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kym n ASN 210 N -0.07 -0.89 -4.39 4.04 5.15 -0.84 -4.90 115.26 113.37 3kym n ASN 210 Ca 0.01 -0.96 -0.45 0.00 -0.60 0.00 0.00 54.58 52.58 3kym n ASN 210 Cb 0.69 -3.27 -0.06 0.00 -0.53 0.00 0.00 39.78 36.61 3kym n ASN 210 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kym s THR 211 N -3.83 5.03 -0.23 -0.44 2.01 0.72 -4.99 115.64 113.92 3kym s THR 211 Ca 0.09 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 3kym s THR 211 Cb -0.05 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3kym s THR 211 CO 0.87 -0.82 0.14 -0.54 -0.69 0.00 0.00 174.62 173.58 3kym s LYS 212 N 2.16 4.02 -0.00 4.92 3.01 -1.26 -0.50 119.74 132.10 3kym s LYS 212 Ca 0.09 -0.30 0.03 0.00 -1.01 0.00 0.00 55.97 54.78 3kym s LYS 212 Cb -0.24 -3.47 -0.01 0.00 -1.01 0.00 0.00 37.83 33.10 3kym s LYS 212 CO 0.07 0.08 -0.11 0.08 0.51 0.00 0.00 175.35 175.98 3kym s VAL 213 N 0.98 0.86 -0.31 3.17 1.01 0.63 -5.00 120.40 121.75 3kym s VAL 213 Ca 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kym s VAL 213 Cb -0.13 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.61 3kym s VAL 213 CO 0.04 0.18 0.06 -1.81 0.00 0.00 0.00 175.10 173.57 3kym s ASP 214 N -0.41 4.28 -0.21 3.32 1.01 -1.26 -1.42 116.67 121.97 3kym s ASP 214 Ca 0.03 -1.77 0.01 0.00 0.71 0.00 0.00 52.55 51.54 3kym s ASP 214 Cb -0.05 -1.20 0.04 0.00 1.01 0.00 0.00 42.92 42.73 3kym s ASP 214 CO -0.00 -0.38 -0.11 -0.75 0.21 0.00 0.00 175.17 174.14 3kym s LYS 215 N 1.31 2.14 -0.02 8.23 2.20 -0.99 -4.98 119.74 127.64 3kym s LYS 215 Ca 0.08 -0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 3kym s LYS 215 Cb -0.18 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 3kym s LYS 215 CO -0.16 -0.45 0.36 0.95 -0.36 0.00 0.00 175.35 175.70 3kym s THR 216 N 1.33 5.12 -0.34 3.43 -4.23 -1.26 -0.95 115.64 118.73 3kym s THR 216 Ca -0.02 0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 3kym s THR 216 Cb -0.17 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 3kym s THR 216 CO -0.08 0.57 0.58 -0.69 -0.54 0.00 0.00 174.62 174.46 3kym s VAL 217 N -1.09 4.95 0.99 2.29 1.01 -0.35 -4.94 120.40 123.26 3kym s VAL 217 Ca 0.23 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 3kym s VAL 217 Cb -0.16 -4.01 0.13 0.00 0.00 0.00 0.00 36.38 32.34 3kym s VAL 217 CO 0.12 -0.23 0.76 -0.62 0.00 0.00 0.00 175.10 175.13 3kym n GLU 218 N 5.88 -0.84 0.00 2.72 -0.58 -1.26 -4.62 120.64 121.94 3kym n GLU 218 Ca -0.03 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 3kym n GLU 218 Cb 0.49 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3kym n GLU 218 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54