#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpr s VAL 4 N 0.00 4.54 0.22 1.61 1.01 -1.26 -4.43 120.40 122.09 3kpr s VAL 4 Ca 0.00 1.86 0.10 0.00 0.00 0.00 0.00 61.98 63.94 3kpr s VAL 4 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3kpr s VAL 4 CO 0.00 0.38 -0.20 -0.94 0.00 0.00 0.00 175.10 174.34 3kpr s SER 5 N -0.26 3.18 -0.02 3.32 1.04 -0.50 -4.35 113.70 116.11 3kpr s SER 5 Ca 0.42 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 3kpr s SER 5 Cb -0.22 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.68 3kpr s SER 5 CO 0.27 0.01 0.05 -1.10 0.98 0.00 0.00 173.24 173.45 3kpr s GLN 6 N -3.14 0.04 -0.00 4.02 -0.21 -1.26 -1.06 119.66 118.06 3kpr s GLN 6 Ca 0.23 0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.73 3kpr s GLN 6 Cb -0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 33.01 33.93 3kpr s GLN 6 CO 0.10 -0.03 -0.10 -1.54 -2.12 0.00 0.00 175.29 171.60 3kpr s SER 7 N 0.19 1.14 0.79 5.90 1.04 -0.68 -4.27 113.70 117.81 3kpr s SER 7 Ca -0.01 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 3kpr s SER 7 Cb -0.02 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 66.08 3kpr s SER 7 CO -0.01 0.10 1.13 -2.16 0.98 0.00 0.00 173.24 173.28 3kpr s PRO 8 N -0.35 1.78 0.10 4.02 0.04 -1.26 -1.65 135.00 137.68 3kpr s PRO 8 Ca 0.03 -0.23 -0.23 0.00 0.04 0.00 0.00 61.00 60.61 3kpr s PRO 8 Cb -0.04 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3kpr s PRO 8 CO -0.00 -1.60 1.72 0.00 0.04 0.00 0.00 177.00 177.16 3kpr h ARG 9 N -0.95 -0.08 -5.49 4.56 2.47 -1.83 -3.40 114.38 109.67 3kpr h ARG 9 Ca -0.44 0.01 -0.48 0.00 -1.26 0.00 0.00 59.98 57.80 3kpr h ARG 9 Cb 1.30 0.02 -0.26 0.00 -1.65 0.00 0.00 29.97 29.38 3kpr h ARG 9 CO 0.56 -0.05 -0.81 0.71 0.56 0.00 0.00 179.97 180.95 3kpr s TYR 10 N -6.18 1.36 -0.06 3.04 1.51 -1.26 -0.15 117.35 115.61 3kpr s TYR 10 Ca -0.14 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3kpr s TYR 10 Cb 0.07 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 3kpr s TYR 10 CO 0.66 0.04 0.08 0.21 -1.11 0.00 0.00 175.55 175.43 3kpr s LYS 11 N -1.04 -0.05 -0.21 -0.62 2.47 0.42 -4.93 119.74 115.78 3kpr s LYS 11 Ca 0.03 0.38 -0.10 0.00 -1.56 0.00 0.00 55.97 54.73 3kpr s LYS 11 Cb -0.08 -0.56 -0.05 0.00 -1.46 0.00 0.00 37.83 35.68 3kpr s LYS 11 CO 0.01 -0.35 0.13 0.54 0.16 0.00 0.00 175.35 175.83 3kpr s VAL 12 N 2.19 5.22 -0.01 4.02 0.11 -1.26 -0.71 120.40 129.96 3kpr s VAL 12 Ca 0.04 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.27 3kpr s VAL 12 Cb -0.12 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 3kpr s VAL 12 CO -0.04 0.40 -0.16 0.00 -3.33 0.00 0.00 175.10 171.98 3kpr s ALA 13 N 0.67 1.33 0.27 1.54 0.00 0.30 -4.97 121.76 120.91 3kpr s ALA 13 Ca 0.07 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3kpr s ALA 13 Cb -0.12 -0.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 3kpr s ALA 13 CO 0.01 0.32 1.11 0.21 0.00 0.00 0.00 175.76 177.42 3kpr s LYS 14 N -0.40 4.62 0.17 0.00 2.20 -1.26 -0.23 119.74 124.84 3kpr s LYS 14 Ca 0.06 1.82 -0.34 0.00 -0.36 0.00 0.00 55.97 57.15 3kpr s LYS 14 Cb -0.06 -3.19 -0.14 0.00 -1.51 0.00 0.00 37.83 32.93 3kpr s LYS 14 CO -0.01 0.18 1.53 -2.13 -0.36 0.00 0.00 175.35 174.57 3kpr n ARG 15 N 1.28 2.04 0.00 4.03 0.63 0.42 -2.30 116.66 122.77 3kpr n ARG 15 Ca -0.01 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3kpr n ARG 15 Cb 0.45 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.88 3kpr n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kpr n GLY 16 N 3.15 1.47 3.90 5.14 0.00 0.04 -4.93 105.19 113.95 3kpr n GLY 16 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3kpr n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kpr s GLN 17 N -0.91 3.61 0.08 1.61 -2.07 -0.97 -4.15 119.66 116.85 3kpr s GLN 17 Ca 0.00 0.17 -0.14 0.00 -1.82 0.00 0.00 55.36 53.58 3kpr s GLN 17 Cb 0.00 -2.46 -0.06 0.00 -1.09 0.00 0.00 33.01 29.40 3kpr s GLN 17 CO 0.00 -0.05 0.47 -0.51 -1.32 0.00 0.00 175.29 173.88 3kpr s ASP 18 N -3.69 6.79 0.10 12.60 1.01 -1.26 -0.69 116.67 131.53 3kpr s ASP 18 Ca 0.47 0.98 0.05 0.00 0.71 0.00 0.00 52.55 54.76 3kpr s ASP 18 Cb -0.10 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 3kpr s ASP 18 CO 0.38 0.21 -0.13 0.68 0.21 0.00 0.00 175.17 176.51 3kpr s VAL 19 N -1.30 1.18 -0.11 -1.27 -7.23 -0.57 -4.96 120.40 106.14 3kpr s VAL 19 Ca 0.31 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3kpr s VAL 19 Cb -0.16 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.45 3kpr s VAL 19 CO 0.17 -0.38 -0.19 0.00 -0.31 0.00 0.00 175.10 174.39 3kpr s ALA 20 N -1.91 1.94 -0.20 1.32 0.00 -1.26 -1.46 121.76 120.18 3kpr s ALA 20 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 3kpr s ALA 20 Cb -0.06 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3kpr s ALA 20 CO 0.02 0.03 -0.08 -0.51 0.00 0.00 0.00 175.76 175.22 3kpr s LEU 21 N 0.77 2.75 -0.12 0.00 1.43 0.15 -4.74 118.68 118.93 3kpr s LEU 21 Ca -0.10 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3kpr s LEU 21 Cb -0.16 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3kpr s LEU 21 CO 0.01 0.00 0.06 -0.60 0.23 0.00 0.00 176.35 176.06 3kpr s ARG 22 N 1.32 3.35 -0.10 1.70 3.52 -0.66 -0.48 118.95 127.60 3kpr s ARG 22 Ca 0.04 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3kpr s ARG 22 Cb -0.14 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 3kpr s ARG 22 CO -0.04 0.64 -0.11 0.00 -0.81 0.00 0.00 175.30 174.99 3kpr s ASP 24 N 1.30 5.71 0.88 0.00 -0.00 -0.22 -0.69 116.67 123.65 3kpr s ASP 24 Ca -0.02 -1.51 -0.13 0.00 -0.00 0.00 0.00 52.55 50.90 3kpr s ASP 24 Cb -0.14 -2.02 0.15 0.00 -0.00 0.00 0.00 42.92 40.92 3kpr s ASP 24 CO -0.04 -0.56 1.23 -2.16 -0.00 0.00 0.00 175.17 173.63 3kpr s PRO 25 N 1.45 1.16 0.16 8.23 0.04 -1.26 -1.41 135.00 143.36 3kpr s PRO 25 Ca 0.03 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.41 3kpr s PRO 25 Cb -0.23 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3kpr s PRO 25 CO 0.03 -2.04 1.29 0.42 0.04 0.00 0.00 177.00 176.73 3kpr s ILE 26 N -3.69 3.43 0.25 0.56 1.01 -1.26 -4.85 121.20 116.63 3kpr s ILE 26 Ca 0.69 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 62.15 3kpr s ILE 26 Cb -0.06 -3.71 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 3kpr s ILE 26 CO 0.51 0.14 1.56 -0.24 0.00 0.00 0.00 174.94 176.90 3kpr n SER 27 N 3.10 3.47 0.00 3.58 2.88 -1.26 -2.43 113.62 122.96 3kpr n SER 27 Ca 0.07 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3kpr n SER 27 Cb 0.44 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 3kpr n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kpr n GLY 28 N 2.60 0.52 3.57 0.46 0.00 -1.26 -5.04 105.19 106.05 3kpr n GLY 28 Ca 0.12 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3kpr n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kpr s HIS 29 N -2.00 3.22 0.12 1.61 4.02 -1.02 -4.90 115.29 116.33 3kpr s HIS 29 Ca 0.00 0.20 -0.13 0.00 1.02 0.00 0.00 55.06 56.15 3kpr s HIS 29 Cb 0.00 -2.68 -0.06 0.00 -1.02 0.00 0.00 32.58 28.82 3kpr s HIS 29 CO 0.00 -0.37 1.45 0.28 1.02 0.00 0.00 174.74 177.13 3kpr h VAL 30 N 5.49 1.29 -3.28 -0.90 2.07 -1.77 -3.45 116.25 115.70 3kpr h VAL 30 Ca -0.30 -1.44 -0.59 0.00 0.82 0.00 0.00 66.70 65.19 3kpr h VAL 30 Cb 1.15 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 3kpr h VAL 30 CO 0.69 0.47 -0.29 -0.44 0.02 0.00 0.00 177.57 178.02 3kpr s SER 31 N -6.61 6.50 -0.06 0.57 0.01 -0.88 -0.55 113.70 112.67 3kpr s SER 31 Ca -0.12 0.58 0.02 0.00 1.31 0.00 0.00 55.95 57.74 3kpr s SER 31 Cb 0.10 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 64.14 3kpr s SER 31 CO 0.84 0.09 -0.10 -0.22 0.41 0.00 0.00 173.24 174.26 3kpr s LEU 32 N 0.44 1.55 -0.04 2.44 0.20 -0.34 -0.73 118.68 122.20 3kpr s LEU 32 Ca 0.19 -0.26 0.07 0.00 0.69 0.00 0.00 54.13 54.82 3kpr s LEU 32 Cb -0.13 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3kpr s LEU 32 CO 0.05 0.00 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.52 3kpr s PHE 33 N 0.77 2.42 -0.11 5.38 0.40 0.28 -0.36 117.98 126.77 3kpr s PHE 33 Ca -0.13 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.69 3kpr s PHE 33 Cb -0.15 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3kpr s PHE 33 CO 0.02 -0.07 -0.02 -1.58 0.70 0.00 0.00 175.22 174.27 3kpr s TRP 34 N -0.47 3.07 0.12 0.36 0.52 -0.49 -0.22 118.94 121.84 3kpr s TRP 34 Ca 0.06 0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.25 3kpr s TRP 34 Cb -0.11 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 3kpr s TRP 34 CO 0.01 0.28 -0.16 0.71 0.02 0.00 0.00 176.95 177.81 3kpr s TYR 35 N -0.46 1.54 -0.12 -1.98 1.51 0.78 -0.77 117.35 117.86 3kpr s TYR 35 Ca 0.08 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3kpr s TYR 35 Cb -0.12 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3kpr s TYR 35 CO 0.02 0.19 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.36 3kpr s GLN 36 N -2.47 3.30 -0.32 -0.62 0.74 0.15 -0.57 119.66 119.88 3kpr s GLN 36 Ca 0.09 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.81 3kpr s GLN 36 Cb -0.07 -2.57 0.09 0.00 1.10 0.00 0.00 33.01 31.57 3kpr s GLN 36 CO 0.04 0.23 0.03 -1.14 -0.55 0.00 0.00 175.29 173.90 3kpr s GLN 37 N 0.30 1.44 0.28 1.67 0.74 0.60 0.43 119.66 125.13 3kpr s GLN 37 Ca -0.11 -1.60 -0.21 0.00 0.05 0.00 0.00 55.36 53.49 3kpr s GLN 37 Cb -0.16 -2.90 -0.09 0.00 1.10 0.00 0.00 33.01 30.96 3kpr s GLN 37 CO 0.06 -0.88 0.81 0.00 -0.55 0.00 0.00 175.29 174.74 3kpr s ALA 38 N 1.09 3.31 0.22 1.58 0.00 -1.26 -1.31 121.76 125.39 3kpr s ALA 38 Ca 0.07 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.00 3kpr s ALA 38 Cb -0.19 -2.95 -0.14 0.00 0.00 0.00 0.00 23.12 19.83 3kpr s ALA 38 CO -0.11 0.27 1.24 -0.11 0.00 0.00 0.00 175.76 177.05 3kpr n LEU 39 N 0.44 2.25 0.00 0.00 0.00 -1.26 -2.07 117.00 116.36 3kpr n LEU 39 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.16 3kpr n LEU 39 Cb 0.51 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.61 3kpr n LEU 39 CO 0.43 -0.97 0.00 0.61 0.00 0.00 0.00 177.39 177.46 3kpr n GLY 40 N 1.91 0.48 3.15 -3.96 0.00 -1.26 -5.03 105.19 100.48 3kpr n GLY 40 Ca 0.13 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 3kpr n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kpr s GLN 41 N -0.80 0.88 0.74 1.61 -0.21 -0.88 -5.17 119.66 115.83 3kpr s GLN 41 Ca 0.00 -1.40 -0.11 0.00 0.02 0.00 0.00 55.36 53.86 3kpr s GLN 41 Cb 0.00 0.13 0.04 0.00 1.00 0.00 0.00 33.01 34.18 3kpr s GLN 41 CO 0.00 -0.20 1.11 0.20 -2.12 0.00 0.00 175.29 174.29 3kpr s GLY 42 N -3.04 1.62 0.58 3.09 0.00 -1.26 -4.69 107.32 103.62 3kpr s GLY 42 Ca 0.20 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 3kpr s GLY 42 CO -0.01 -0.08 1.24 -4.14 0.00 0.00 0.00 173.10 170.12 3kpr s PRO 43 N -5.41 3.00 -0.08 2.90 0.02 -1.26 -4.61 135.00 129.56 3kpr s PRO 43 Ca 0.59 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.55 3kpr s PRO 43 Cb -0.11 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.42 3kpr s PRO 43 CO 0.50 -1.21 -0.09 -2.00 -0.33 0.00 0.00 177.00 173.88 3kpr s GLU 44 N -3.22 1.41 0.17 5.54 2.12 0.17 -4.90 118.70 120.00 3kpr s GLU 44 Ca 0.76 -0.27 -0.33 0.00 0.36 0.00 0.00 54.97 55.48 3kpr s GLU 44 Cb -0.33 -1.32 -0.14 0.00 0.26 0.00 0.00 34.13 32.60 3kpr s GLU 44 CO 0.36 -0.10 1.49 0.34 -0.54 0.00 0.00 175.26 176.82 3kpr n PHE 45 N 4.27 2.13 -0.01 5.30 7.35 -1.26 0.32 117.46 135.56 3kpr n PHE 45 Ca -0.19 0.37 -0.01 0.00 -0.76 0.00 0.00 57.45 56.85 3kpr n PHE 45 Cb 0.51 -2.49 -0.00 0.00 0.35 0.00 0.00 39.48 37.85 3kpr n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kpr n LEU 46 N 2.94 0.37 -3.90 -2.13 4.77 0.05 -4.26 117.00 114.84 3kpr n LEU 46 Ca 0.16 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 3kpr n LEU 46 Cb 0.28 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 3kpr n LEU 46 CO 0.63 -0.49 -0.15 0.28 -1.33 0.00 0.00 177.39 176.32 3kpr s THR 47 N -1.36 0.14 -0.00 -5.08 -1.32 -1.19 -1.98 115.64 104.84 3kpr s THR 47 Ca -0.04 -1.16 0.06 0.00 -1.21 0.00 0.00 61.69 59.33 3kpr s THR 47 Cb 0.01 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 3kpr s THR 47 CO 0.06 -0.64 -0.18 -0.47 -2.21 0.00 0.00 174.62 171.17 3kpr s TYR 48 N -3.27 1.62 -0.16 9.09 5.04 0.22 -1.39 117.35 128.51 3kpr s TYR 48 Ca 0.00 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 3kpr s TYR 48 Cb 0.02 -1.02 0.01 0.00 0.35 0.00 0.00 41.96 41.32 3kpr s TYR 48 CO -0.08 -0.00 -0.20 -0.06 -1.34 0.00 0.00 175.55 173.87 3kpr s PHE 49 N -0.51 2.73 -0.43 4.97 0.40 0.52 -2.63 117.98 123.02 3kpr s PHE 49 Ca 0.07 -1.43 -0.15 0.00 -0.60 0.00 0.00 56.93 54.82 3kpr s PHE 49 Cb -0.07 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.62 3kpr s PHE 49 CO -0.00 -0.67 0.34 -1.14 0.70 0.00 0.00 175.22 174.45 3kpr s GLN 50 N 1.01 2.99 4.57 0.44 0.74 0.34 -1.20 119.66 128.55 3kpr s GLN 50 Ca -0.02 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.32 3kpr s GLN 50 Cb -0.15 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 29.95 3kpr s GLN 50 CO -0.06 -0.83 0.00 0.09 -0.55 0.00 0.00 175.29 173.94 3kpr n ASN 51 N 5.23 0.00 -0.00 6.67 4.13 0.28 -1.08 115.26 130.49 3kpr n ASN 51 Ca -0.11 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.28 3kpr n ASN 51 Cb 0.46 0.00 0.45 0.00 -1.54 0.00 0.00 39.78 39.16 3kpr n ASN 51 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3kpr n GLU 52 N 14.00 0.03 -3.02 3.52 0.00 -1.26 -4.57 120.64 129.33 3kpr n GLU 52 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.75 3kpr n GLU 52 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 29.89 3kpr n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kpr s ALA 53 N -2.98 3.48 -0.68 -1.84 0.00 -0.24 -4.64 121.76 114.86 3kpr s ALA 53 Ca 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 3kpr s ALA 53 Cb 0.18 -3.05 0.10 0.00 0.00 0.00 0.00 23.12 20.35 3kpr s ALA 53 CO 0.60 -0.46 0.87 -1.14 0.00 0.00 0.00 175.76 175.63 3kpr s GLN 54 N 1.68 3.18 -0.00 0.00 0.74 -1.26 -0.50 119.66 123.49 3kpr s GLN 54 Ca 0.34 -1.26 0.22 0.00 0.05 0.00 0.00 55.36 54.70 3kpr s GLN 54 Cb -0.17 -4.37 -0.23 0.00 1.10 0.00 0.00 33.01 29.35 3kpr s GLN 54 CO 0.13 -1.67 0.79 1.28 -0.55 0.00 0.00 175.29 175.27 3kpr n LEU 55 N 6.77 0.65 -3.51 3.68 4.77 -1.08 -4.84 117.00 123.44 3kpr n LEU 55 Ca -0.01 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 3kpr n LEU 55 Cb 0.45 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3kpr n LEU 55 CO 0.58 0.15 -0.11 -0.62 -1.33 0.00 0.00 177.39 176.07 3kpr s ASP 56 N -3.55 0.52 -0.24 -1.43 2.15 -1.25 -5.02 116.67 107.84 3kpr s ASP 56 Ca 0.03 0.30 0.15 0.00 0.43 0.00 0.00 52.55 53.46 3kpr s ASP 56 Cb 0.15 0.84 0.47 0.00 -0.30 0.00 0.00 42.92 44.08 3kpr s ASP 56 CO 0.87 -0.28 1.16 2.29 -0.17 0.00 0.00 175.17 179.04 3kpr n LYS 57 N 5.35 2.34 0.07 4.34 2.85 -1.26 -0.61 118.16 131.23 3kpr n LYS 57 Ca -0.05 -3.62 0.11 0.00 -1.05 0.00 0.00 58.31 53.70 3kpr n LYS 57 Cb 0.50 -1.74 0.44 0.00 -0.65 0.00 0.00 35.03 33.58 3kpr n LYS 57 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3kpr n SER 58 N -0.60 0.40 0.01 -5.58 3.41 -1.26 -3.03 113.62 106.98 3kpr n SER 58 Ca 0.24 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 3kpr n SER 58 Cb 0.89 -0.67 0.16 0.00 -0.26 0.00 0.00 64.21 64.33 3kpr n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kpr n GLY 59 N 0.47 -1.21 3.68 5.00 0.00 -0.84 -4.92 105.19 107.36 3kpr n GLY 59 Ca 0.04 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3kpr n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpr s LEU 60 N -3.16 4.32 0.24 0.99 1.43 -1.15 -4.63 118.68 116.72 3kpr s LEU 60 Ca 0.09 2.20 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 3kpr s LEU 60 Cb 0.17 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 43.07 3kpr s LEU 60 CO 0.74 -0.84 1.91 -0.65 0.23 0.00 0.00 176.35 177.75 3kpr h PRO 61 N 8.62 1.20 -3.64 1.29 0.11 -1.92 -3.45 132.00 134.21 3kpr h PRO 61 Ca -0.38 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3kpr h PRO 61 Cb 1.18 -0.27 -0.10 0.00 0.11 0.00 0.00 31.00 31.92 3kpr h PRO 61 CO 0.93 0.80 -0.12 -1.54 -0.21 0.00 0.00 178.00 177.86 3kpr s SER 62 N -6.02 -0.09 0.00 -2.05 1.04 -1.26 -5.02 113.70 100.29 3kpr s SER 62 Ca -0.13 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 55.46 3kpr s SER 62 Cb 0.17 0.57 0.22 0.00 0.10 0.00 0.00 66.02 67.08 3kpr s SER 62 CO 0.81 -1.11 0.82 -0.90 0.98 0.00 0.00 173.24 173.84 3kpr n ASP 63 N -0.36 0.00 0.17 7.02 5.68 -1.26 -1.99 116.55 125.81 3kpr n ASP 63 Ca -0.03 -1.18 0.05 0.00 -0.50 0.00 0.00 54.79 53.13 3kpr n ASP 63 Cb 0.62 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.78 3kpr n ASP 63 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3kpr h ARG 64 N 0.00 0.00 -6.11 0.11 3.08 -1.95 -3.43 114.38 106.08 3kpr h ARG 64 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3kpr h ARG 64 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 3kpr h ARG 64 CO 0.00 0.42 0.76 -0.06 -1.07 0.00 0.00 179.97 180.02 3kpr s PHE 65 N -3.24 2.66 -0.24 3.04 0.40 -0.84 -2.17 117.98 117.59 3kpr s PHE 65 Ca 0.02 0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.35 3kpr s PHE 65 Cb 0.09 -4.31 -0.03 0.00 0.51 0.00 0.00 43.02 39.28 3kpr s PHE 65 CO 0.71 -1.55 0.06 0.12 0.70 0.00 0.00 175.22 175.26 3kpr s PHE 66 N 4.51 3.09 0.00 0.36 5.36 0.94 -4.98 117.98 127.26 3kpr s PHE 66 Ca 0.34 -0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.00 3kpr s PHE 66 Cb -0.11 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3kpr s PHE 66 CO 0.20 -0.31 -0.22 0.00 -1.46 0.00 0.00 175.22 173.43 3kpr s ALA 67 N 1.45 2.37 0.05 11.12 0.00 -1.26 0.57 121.76 136.07 3kpr s ALA 67 Ca 0.06 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 3kpr s ALA 67 Cb -0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3kpr s ALA 67 CO 0.03 0.54 0.13 -1.83 0.00 0.00 0.00 175.76 174.64 3kpr s GLU 68 N -0.95 0.68 -0.45 0.00 -1.05 0.12 -5.01 118.70 112.04 3kpr s GLU 68 Ca 0.12 -0.82 0.07 0.00 -0.15 0.00 0.00 54.97 54.19 3kpr s GLU 68 Cb -0.10 0.27 0.27 0.00 -0.44 0.00 0.00 34.13 34.13 3kpr s GLU 68 CO 0.01 -0.18 0.84 -2.13 0.95 0.00 0.00 175.26 174.75 3kpr n ARG 69 N 0.48 0.84 -0.06 -4.83 0.63 -1.26 -0.36 116.66 112.09 3kpr n ARG 69 Ca -0.17 -2.31 0.05 0.00 -0.92 0.00 0.00 57.85 54.50 3kpr n ARG 69 Cb 0.60 -1.34 0.41 0.00 0.45 0.00 0.00 32.46 32.58 3kpr n ARG 69 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3kpr h PRO 70 N 3.66 0.59 -0.40 -0.14 0.11 -1.87 -2.16 132.00 131.80 3kpr h PRO 70 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3kpr h PRO 70 Cb 1.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kpr h PRO 70 CO 0.33 0.39 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 3kpr n GLU 71 N -4.47 2.48 -0.96 1.05 4.71 -1.26 -4.88 120.64 117.30 3kpr n GLU 71 Ca 0.06 -2.12 0.00 0.00 -0.01 0.00 0.00 57.16 55.09 3kpr n GLU 71 Cb 0.13 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3kpr n GLU 71 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kpr n GLY 72 N 0.95 0.52 0.00 0.62 0.00 -0.81 -4.88 105.19 101.59 3kpr n GLY 72 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kpr n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kpr n SER 73 N 0.00 0.00 -4.70 1.61 3.41 -1.26 -4.74 113.62 107.94 3kpr n SER 73 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 3kpr n SER 73 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3kpr n SER 73 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kpr n VAL 74 N 0.00 0.18 -5.05 -3.33 0.31 -1.26 -4.55 118.33 104.63 3kpr n VAL 74 Ca 0.00 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 3kpr n VAL 74 Cb 0.00 -1.77 -0.14 0.00 -0.91 0.00 0.00 33.84 31.02 3kpr n VAL 74 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3kpr s SER 75 N 0.93 3.56 -0.09 4.52 0.15 0.13 -4.28 113.70 118.62 3kpr s SER 75 Ca 0.75 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.08 3kpr s SER 75 Cb -0.58 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.14 3kpr s SER 75 CO 0.37 0.32 -0.18 -0.89 1.20 0.00 0.00 173.24 174.06 3kpr s THR 76 N -0.70 1.65 -0.40 6.45 2.01 0.51 -0.17 115.64 124.98 3kpr s THR 76 Ca 0.11 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 3kpr s THR 76 Cb -0.10 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 71.00 3kpr s THR 76 CO 0.00 0.47 0.24 -0.22 -0.69 0.00 0.00 174.62 174.42 3kpr s LEU 77 N 0.60 4.95 -0.25 4.42 2.96 0.37 -0.70 118.68 131.04 3kpr s LEU 77 Ca -0.14 -1.25 -0.13 0.00 -0.22 0.00 0.00 54.13 52.38 3kpr s LEU 77 Cb -0.17 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3kpr s LEU 77 CO 0.04 -0.47 0.30 -0.54 -1.32 0.00 0.00 176.35 174.36 3kpr s LYS 78 N 1.50 4.06 -0.38 1.98 1.02 0.19 -0.67 119.74 127.44 3kpr s LYS 78 Ca 0.02 -0.05 -0.09 0.00 0.02 0.00 0.00 55.97 55.87 3kpr s LYS 78 Cb -0.21 -3.60 0.05 0.00 -0.52 0.00 0.00 37.83 33.55 3kpr s LYS 78 CO 0.04 -0.11 0.20 0.42 -0.92 0.00 0.00 175.35 174.98 3kpr s ILE 79 N 1.57 4.21 0.37 2.17 1.01 -0.53 -0.04 121.20 129.95 3kpr s ILE 79 Ca 0.13 -1.15 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 3kpr s ILE 79 Cb -0.15 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 3kpr s ILE 79 CO 0.08 -0.33 0.95 -1.10 0.00 0.00 0.00 174.94 174.55 3kpr s GLN 80 N 1.46 4.40 -1.04 2.79 -0.21 -0.92 -1.51 119.66 124.63 3kpr s GLN 80 Ca 0.01 1.25 -0.18 0.00 0.02 0.00 0.00 55.36 56.47 3kpr s GLN 80 Cb -0.21 -2.52 0.02 0.00 1.00 0.00 0.00 33.01 31.30 3kpr s GLN 80 CO 0.04 0.11 0.69 0.54 -2.12 0.00 0.00 175.29 174.55 3kpr n ARG 81 N -0.00 -0.95 -1.70 2.91 1.74 -1.19 -4.80 116.66 112.67 3kpr n ARG 81 Ca 0.04 0.48 -0.43 0.00 -0.77 0.00 0.00 57.85 57.17 3kpr n ARG 81 Cb 0.52 -3.05 -0.02 0.00 -1.02 0.00 0.00 32.46 28.89 3kpr n ARG 81 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kpr n THR 82 N -3.85 1.19 -4.27 0.55 -2.24 0.13 -4.48 114.28 101.31 3kpr n THR 82 Ca -0.17 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.08 3kpr n THR 82 Cb 0.61 -1.65 -0.08 0.00 -2.10 0.00 0.00 70.33 67.11 3kpr n THR 82 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kpr s GLN 83 N -0.75 2.18 0.41 -0.78 -1.52 -1.26 -0.78 119.66 117.16 3kpr s GLN 83 Ca 0.64 -1.62 0.14 0.00 -1.95 0.00 0.00 55.36 52.57 3kpr s GLN 83 Cb -0.58 -2.04 1.00 0.00 -0.22 0.00 0.00 33.01 31.17 3kpr s GLN 83 CO 0.52 0.19 1.91 1.96 -0.25 0.00 0.00 175.29 179.62 3kpr h GLN 84 N 1.78 0.47 0.00 2.91 7.50 -1.96 -1.38 115.11 124.43 3kpr h GLN 84 Ca -0.43 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 58.69 3kpr h GLN 84 Cb 1.25 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 28.68 3kpr h GLN 84 CO 0.64 0.31 -0.00 1.05 -1.50 0.00 0.00 178.83 179.32 3kpr h GLU 85 N 0.48 0.00 0.00 1.46 4.11 -1.96 -2.85 114.58 115.82 3kpr h GLU 85 Ca 0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.78 3kpr h GLU 85 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3kpr h GLU 85 CO -0.14 0.00 -0.20 -0.44 0.07 0.00 0.00 179.01 178.30 3kpr h ASP 86 N 0.00 0.00 -1.63 3.06 3.32 -1.66 -3.45 116.42 116.07 3kpr h ASP 86 Ca -0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 3kpr h ASP 86 Cb 0.46 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.04 3kpr h ASP 86 CO 0.00 0.20 0.84 -1.20 -1.72 0.00 0.00 179.24 177.37 3kpr n SER 87 N -3.26 2.38 0.00 6.45 7.64 -1.08 -4.88 113.62 120.87 3kpr n SER 87 Ca 0.01 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3kpr n SER 87 Cb 0.48 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 3kpr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kpr n ALA 88 N 4.96 0.00 -2.69 -0.43 0.00 -0.62 -4.87 120.51 116.86 3kpr n ALA 88 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 3kpr n ALA 88 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 3kpr n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kpr s VAL 89 N -2.00 5.13 -0.23 0.00 1.01 -0.43 -1.10 120.40 122.78 3kpr s VAL 89 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 3kpr s VAL 89 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3kpr s VAL 89 CO 0.00 0.32 0.01 -0.31 0.00 0.00 0.00 175.10 175.13 3kpr s TYR 90 N 0.55 3.03 -0.14 5.22 1.51 0.62 -0.29 117.35 127.84 3kpr s TYR 90 Ca 0.29 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3kpr s TYR 90 Cb -0.16 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3kpr s TYR 90 CO 0.13 -0.40 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.60 3kpr s LEU 91 N 1.42 3.14 -0.15 -1.29 1.43 0.27 -1.00 118.68 122.50 3kpr s LEU 91 Ca 0.05 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3kpr s LEU 91 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3kpr s LEU 91 CO 0.01 0.19 0.05 0.00 0.23 0.00 0.00 176.35 176.83 3kpr s ALA 93 N -0.16 1.04 0.07 0.00 0.00 0.69 -0.25 121.76 123.15 3kpr s ALA 93 Ca 0.07 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.53 3kpr s ALA 93 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3kpr s ALA 93 CO 0.01 0.25 -0.19 -1.54 0.00 0.00 0.00 175.76 174.29 3kpr s SER 94 N -0.39 2.23 0.09 0.00 1.04 -0.36 0.10 113.70 116.41 3kpr s SER 94 Ca 0.04 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3kpr s SER 94 Cb -0.05 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3kpr s SER 94 CO -0.00 0.07 -0.04 -0.94 0.98 0.00 0.00 173.24 173.31 3kpr s SER 95 N -1.50 0.81 0.00 7.02 1.04 0.09 -1.13 113.70 120.03 3kpr s SER 95 Ca 0.05 -1.03 0.13 0.00 0.48 0.00 0.00 55.95 55.57 3kpr s SER 95 Cb -0.09 0.16 0.68 0.00 0.10 0.00 0.00 66.02 66.86 3kpr s SER 95 CO 0.03 -0.55 1.30 -0.11 0.98 0.00 0.00 173.24 174.89 3kpr n LEU 96 N -0.00 0.00 0.00 2.42 7.94 -1.26 -2.07 117.00 124.02 3kpr n LEU 96 Ca -0.12 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3kpr n LEU 96 Cb 0.61 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.34 3kpr n LEU 96 CO 0.30 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 3kpr n GLY 97 N -0.19 1.89 0.51 -3.96 0.00 -1.26 -4.47 105.19 97.71 3kpr n GLY 97 Ca 0.07 -0.77 0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kpr n GLY 97 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kpr h GLN 98 N 0.00 0.07 -0.01 1.61 3.07 -1.95 -1.56 115.11 116.33 3kpr h GLN 98 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kpr h GLN 98 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.55 3kpr h GLN 98 CO 0.00 0.04 -0.19 0.00 0.09 0.00 0.00 178.83 178.77 3kpr n ALA 99 N -2.72 2.83 -1.92 0.06 0.00 -1.26 -5.01 120.51 112.49 3kpr n ALA 99 Ca 0.26 -0.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 3kpr n ALA 99 Cb 1.21 -0.39 0.11 0.00 0.00 0.00 0.00 19.45 20.37 3kpr n ALA 99 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kpr s TYR 100 N -1.38 2.56 0.21 0.00 1.51 -0.59 -4.98 117.35 114.68 3kpr s TYR 100 Ca 0.10 0.50 -0.31 0.00 -1.01 0.00 0.00 57.07 56.36 3kpr s TYR 100 Cb 0.09 -3.53 -0.10 0.00 -0.11 0.00 0.00 41.96 38.31 3kpr s TYR 100 CO 0.26 -1.87 1.53 -1.83 -1.11 0.00 0.00 175.55 172.53 3kpr s GLU 105 N -5.53 4.22 -0.08 -0.62 -1.05 -1.26 -4.82 118.70 109.56 3kpr s GLU 105 Ca 0.64 2.37 -0.22 0.00 -0.15 0.00 0.00 54.97 57.62 3kpr s GLU 105 Cb -0.09 -3.12 -0.04 0.00 -0.44 0.00 0.00 34.13 30.44 3kpr s GLU 105 CO 0.48 -0.55 0.62 -0.65 0.95 0.00 0.00 175.26 176.12 3kpr s GLN 106 N 0.41 4.40 -0.26 -4.83 -0.21 -1.26 -4.48 119.66 113.42 3kpr s GLN 106 Ca 0.65 0.73 -0.10 0.00 0.02 0.00 0.00 55.36 56.67 3kpr s GLN 106 Cb -0.44 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 3kpr s GLN 106 CO 0.37 0.10 0.14 0.71 -2.12 0.00 0.00 175.29 174.49 3kpr s TYR 107 N 0.74 3.19 0.05 0.91 1.51 -0.29 -4.91 117.35 118.54 3kpr s TYR 107 Ca 0.34 -0.05 -0.06 0.00 -1.01 0.00 0.00 57.07 56.28 3kpr s TYR 107 Cb -0.17 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 3kpr s TYR 107 CO 0.15 -0.19 0.30 -0.06 -1.11 0.00 0.00 175.55 174.65 3kpr s PHE 108 N 1.57 3.55 1.02 2.71 0.40 -1.26 -1.22 117.98 124.75 3kpr s PHE 108 Ca 0.07 0.57 -0.17 0.00 -0.60 0.00 0.00 56.93 56.79 3kpr s PHE 108 Cb -0.15 -2.00 0.23 0.00 0.51 0.00 0.00 43.02 41.61 3kpr s PHE 108 CO 0.07 0.56 1.31 0.20 0.70 0.00 0.00 175.22 178.07 3kpr s GLY 109 N -1.92 1.78 0.00 4.36 0.00 0.65 -4.61 107.32 107.58 3kpr s GLY 109 Ca 0.32 -1.26 0.31 0.00 0.00 0.00 0.00 44.72 44.09 3kpr s GLY 109 CO 0.19 -0.43 2.19 -1.05 0.00 0.00 0.00 173.10 174.01 3kpr n PRO 110 N -3.98 0.93 -0.00 2.90 -0.02 -1.26 -4.79 135.00 128.78 3kpr n PRO 110 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3kpr n PRO 110 Cb 0.59 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3kpr n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpr n GLY 111 N 1.01 -2.73 3.39 -1.23 0.00 -1.26 -4.95 105.19 99.42 3kpr n GLY 111 Ca 0.23 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 3kpr n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpr s THR 112 N -3.61 3.74 -0.46 2.61 2.01 -0.17 -4.65 115.64 115.10 3kpr s THR 112 Ca 0.00 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 3kpr s THR 112 Cb 0.00 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.84 3kpr s THR 112 CO 0.00 0.41 0.64 -0.60 -0.69 0.00 0.00 174.62 174.38 3kpr s ARG 113 N 1.28 3.22 -0.20 4.92 6.06 0.79 -0.28 118.95 134.74 3kpr s ARG 113 Ca 0.04 -0.54 -0.09 0.00 -2.50 0.00 0.00 55.73 52.64 3kpr s ARG 113 Cb -0.15 -4.00 -0.05 0.00 0.06 0.00 0.00 34.95 30.82 3kpr s ARG 113 CO 0.00 -1.09 0.10 -1.17 -2.50 0.00 0.00 175.30 170.64 3kpr s LEU 114 N 2.79 3.99 -0.16 -0.88 2.96 -0.26 -0.44 118.68 126.69 3kpr s LEU 114 Ca 0.20 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3kpr s LEU 114 Cb -0.16 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3kpr s LEU 114 CO 0.17 0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.34 3kpr s THR 115 N 0.45 1.58 -0.26 3.68 2.01 0.11 -1.59 115.64 121.62 3kpr s THR 115 Ca 0.05 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 3kpr s THR 115 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3kpr s THR 115 CO -0.00 0.40 0.26 -0.69 -0.69 0.00 0.00 174.62 173.90 3kpr s VAL 116 N 1.47 5.27 0.17 3.82 1.01 -1.26 -0.54 120.40 130.35 3kpr s VAL 116 Ca 0.04 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.47 3kpr s VAL 116 Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kpr s VAL 116 CO -0.10 0.24 -0.20 0.28 0.00 0.00 0.00 175.10 175.32 3kpr s THR 117 N 1.65 2.62 0.09 3.92 -1.32 0.69 -4.66 115.64 118.63 3kpr s THR 117 Ca 0.11 -1.83 -0.17 0.00 -1.21 0.00 0.00 61.69 58.59 3kpr s THR 117 Cb -0.15 -2.25 -0.07 0.00 -1.51 0.00 0.00 72.50 68.52 3kpr s THR 117 CO 0.09 -0.06 1.50 -0.08 -2.21 0.00 0.00 174.62 173.86 3kpr h GLU 118 N 3.29 0.55 -3.81 7.08 4.57 -1.96 0.12 114.58 124.43 3kpr h GLU 118 Ca -0.48 -0.21 -0.26 0.00 -1.18 0.00 0.00 59.36 57.23 3kpr h GLU 118 Cb 1.20 -0.03 -0.29 0.00 -0.16 0.00 0.00 28.75 29.46 3kpr h GLU 118 CO 0.48 0.75 -0.73 0.34 -1.18 0.00 0.00 179.01 178.67 3kpr s ASP 119 N -6.14 0.15 0.00 1.04 -1.08 -1.26 -4.33 116.67 105.04 3kpr s ASP 119 Ca -0.13 -0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.10 3kpr s ASP 119 Cb 0.08 -0.04 1.08 0.00 -1.46 0.00 0.00 42.92 42.59 3kpr s ASP 119 CO 0.77 -0.01 1.71 0.18 0.52 0.00 0.00 175.17 178.35 3kpr n LEU 120 N 3.26 0.00 0.16 -1.34 4.77 -1.26 -2.42 117.00 120.17 3kpr n LEU 120 Ca -0.15 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 3kpr n LEU 120 Cb 0.58 -0.32 0.53 0.00 -2.33 0.00 0.00 43.42 41.87 3kpr n LEU 120 CO 0.25 -0.09 0.88 0.07 -1.33 0.00 0.00 177.39 177.17 3kpr h LYS 121 N 0.00 0.00 0.00 3.23 2.10 -1.98 -2.44 116.57 117.47 3kpr h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kpr h LYS 121 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3kpr h LYS 121 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3kpr n ASN 122 N -2.38 0.35 -4.66 7.07 5.03 -1.01 -4.80 115.26 114.86 3kpr n ASN 122 Ca 0.02 0.55 -0.43 0.00 0.87 0.00 0.00 54.58 55.59 3kpr n ASN 122 Cb 0.24 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.34 3kpr n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kpr s VAL 123 N -3.09 4.64 -0.04 2.41 1.01 -0.92 -4.62 120.40 119.80 3kpr s VAL 123 Ca 0.10 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.08 3kpr s VAL 123 Cb 0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3kpr s VAL 123 CO 0.47 -0.15 -0.11 -0.36 0.00 0.00 0.00 175.10 174.94 3kpr s PHE 124 N 3.09 1.20 0.62 5.22 0.08 -0.50 -4.73 117.98 122.96 3kpr s PHE 124 Ca 0.46 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 57.03 3kpr s PHE 124 Cb -0.16 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 3kpr s PHE 124 CO 0.08 -0.14 1.06 -1.25 -0.10 0.00 0.00 175.22 174.88 3kpr s PRO 125 N 0.23 3.17 0.52 0.24 0.04 -1.26 -1.25 135.00 136.69 3kpr s PRO 125 Ca -0.05 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.99 3kpr s PRO 125 Cb -0.10 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3kpr s PRO 125 CO 0.01 -0.93 1.08 -1.25 0.04 0.00 0.00 177.00 175.95 3kpr s PRO 126 N -4.24 3.56 -0.13 0.56 0.04 -1.26 -4.36 135.00 129.16 3kpr s PRO 126 Ca 0.63 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 3kpr s PRO 126 Cb -0.16 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 3kpr s PRO 126 CO 0.41 -0.65 0.25 -1.21 0.04 0.00 0.00 177.00 175.84 3kpr s GLU 127 N -3.37 3.98 -0.04 4.56 2.02 -0.24 -4.92 118.70 120.70 3kpr s GLU 127 Ca 0.69 0.05 0.05 0.00 0.02 0.00 0.00 54.97 55.78 3kpr s GLU 127 Cb -0.19 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 3kpr s GLU 127 CO 0.25 0.46 -0.18 0.08 0.02 0.00 0.00 175.26 175.89 3kpr s VAL 128 N -0.20 2.77 0.02 2.63 1.01 -1.26 -1.33 120.40 124.04 3kpr s VAL 128 Ca 0.16 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3kpr s VAL 128 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kpr s VAL 128 CO 0.05 0.59 -0.04 0.00 0.00 0.00 0.00 175.10 175.69 3kpr s ALA 129 N -0.69 0.31 -0.11 5.51 0.00 -0.43 -4.63 121.76 121.73 3kpr s ALA 129 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3kpr s ALA 129 Cb -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3kpr s ALA 129 CO 0.00 -0.02 -0.11 0.08 0.00 0.00 0.00 175.76 175.71 3kpr s VAL 130 N -0.84 3.27 -0.22 0.00 1.01 -1.26 -0.56 120.40 121.80 3kpr s VAL 130 Ca -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3kpr s VAL 130 Cb -0.06 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3kpr s VAL 130 CO -0.00 0.54 -0.02 -0.36 0.00 0.00 0.00 175.10 175.26 3kpr s PHE 131 N -0.05 2.99 0.35 5.22 0.40 0.86 -4.99 117.98 122.76 3kpr s PHE 131 Ca -0.02 -0.73 -0.27 0.00 -0.60 0.00 0.00 56.93 55.32 3kpr s PHE 131 Cb -0.14 -2.11 -0.09 0.00 0.51 0.00 0.00 43.02 41.19 3kpr s PHE 131 CO 0.04 -0.43 1.10 -1.21 0.70 0.00 0.00 175.22 175.41 3kpr s GLU 132 N 1.33 4.34 0.68 0.44 2.02 -1.26 -2.13 118.70 124.12 3kpr s GLU 132 Ca 0.04 1.71 -0.17 0.00 0.02 0.00 0.00 54.97 56.57 3kpr s GLU 132 Cb -0.14 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 3kpr s GLU 132 CO -0.01 -0.03 1.06 -0.35 0.02 0.00 0.00 175.26 175.95 3kpr n PRO 133 N 0.49 0.74 -2.30 0.39 -0.04 -1.25 -4.93 135.00 128.10 3kpr n PRO 133 Ca 0.02 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 3kpr n PRO 133 Cb 0.47 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 3kpr n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kpr s SER 134 N -1.50 7.02 0.38 3.54 0.15 -1.26 -4.94 113.70 117.09 3kpr s SER 134 Ca 0.77 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.91 3kpr s SER 134 Cb -0.37 -2.63 0.77 0.00 -1.71 0.00 0.00 66.02 62.08 3kpr s SER 134 CO 0.47 -0.37 1.94 -0.08 1.20 0.00 0.00 173.24 176.39 3kpr h GLU 135 N 4.22 0.35 -0.07 5.44 4.57 -1.99 -2.29 114.58 124.81 3kpr h GLU 135 Ca -0.47 -0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 57.50 3kpr h GLU 135 Cb 1.22 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3kpr h GLU 135 CO 0.70 0.40 -0.61 0.00 -1.18 0.00 0.00 179.01 178.32 3kpr h ALA 136 N 1.64 0.83 -0.09 2.92 0.00 -1.99 -3.07 119.26 119.49 3kpr h ALA 136 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3kpr h ALA 136 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kpr h ALA 136 CO 0.01 0.73 0.01 1.49 0.00 0.00 0.00 179.25 181.49 3kpr h GLU 137 N 0.19 0.15 -0.39 0.00 4.81 -1.74 -1.48 114.58 116.11 3kpr h GLU 137 Ca -0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3kpr h GLU 137 Cb 1.12 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 3kpr h GLU 137 CO 0.10 0.38 0.04 0.82 -0.73 0.00 0.00 179.01 179.62 3kpr h ILE 138 N -0.10 0.75 0.00 2.32 2.04 -1.42 0.20 117.51 121.29 3kpr h ILE 138 Ca 0.03 -0.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3kpr h ILE 138 Cb 0.31 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3kpr h ILE 138 CO 0.00 0.03 -0.45 0.28 0.00 0.00 0.00 178.15 178.01 3kpr h SER 139 N 0.15 0.00 0.27 1.72 0.02 -1.50 -1.43 113.55 112.78 3kpr h SER 139 Ca 0.19 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.81 3kpr h SER 139 Cb 0.25 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 3kpr h SER 139 CO -0.28 0.45 -2.01 1.57 -1.14 0.00 0.00 176.83 175.42 3kpr n HIS 140 N -3.57 0.61 0.05 3.45 -0.00 -0.56 -4.62 115.22 110.57 3kpr n HIS 140 Ca -0.00 0.21 0.01 0.00 -0.00 0.00 0.00 57.72 57.94 3kpr n HIS 140 Cb 0.56 -1.11 -0.01 0.00 -0.00 0.00 0.00 29.99 29.42 3kpr n HIS 140 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3kpr n THR 141 N -2.97 0.00 -1.13 3.57 -2.24 0.65 -4.99 114.28 107.17 3kpr n THR 141 Ca -0.25 -0.26 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 3kpr n THR 141 Cb 1.09 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 70.05 3kpr n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kpr n GLN 142 N -1.29 -1.01 -4.40 -0.78 1.13 -0.54 -5.01 117.38 105.49 3kpr n GLN 142 Ca 0.00 0.51 -0.21 0.00 -1.94 0.00 0.00 57.00 55.37 3kpr n GLN 142 Cb 0.04 -4.41 -0.10 0.00 0.11 0.00 0.00 30.24 25.88 3kpr n GLN 142 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kpr s LYS 143 N -1.81 1.48 -0.19 -1.09 1.02 -1.26 -0.08 119.74 117.81 3kpr s LYS 143 Ca 0.00 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.25 3kpr s LYS 143 Cb 0.00 -1.25 0.06 0.00 -0.52 0.00 0.00 37.83 36.12 3kpr s LYS 143 CO 0.00 0.15 0.06 0.00 -0.92 0.00 0.00 175.35 174.64 3kpr s ALA 144 N -2.90 0.77 -0.32 5.17 0.00 0.19 -3.09 121.76 121.58 3kpr s ALA 144 Ca 0.26 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 3kpr s ALA 144 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3kpr s ALA 144 CO 0.10 -1.19 0.33 0.99 0.00 0.00 0.00 175.76 175.99 3kpr s THR 145 N 1.97 5.20 0.08 0.00 2.01 -1.26 -1.82 115.64 121.82 3kpr s THR 145 Ca 0.01 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.03 3kpr s THR 145 Cb -0.17 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 3kpr s THR 145 CO -0.09 0.02 0.49 -0.76 -0.69 0.00 0.00 174.62 173.59 3kpr s LEU 146 N 1.97 4.41 -0.09 4.42 1.02 0.86 -3.78 118.68 127.48 3kpr s LEU 146 Ca 0.11 1.03 0.04 0.00 0.02 0.00 0.00 54.13 55.33 3kpr s LEU 146 Cb -0.16 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.08 3kpr s LEU 146 CO 0.11 0.20 -0.23 -0.69 0.02 0.00 0.00 176.35 175.77 3kpr s VAL 147 N -1.29 1.96 -0.06 -1.59 1.01 -0.90 -0.51 120.40 119.02 3kpr s VAL 147 Ca 0.32 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3kpr s VAL 147 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3kpr s VAL 147 CO 0.17 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.89 3kpr s LEU 149 N -1.32 1.84 -0.32 0.00 2.96 0.28 -1.25 118.68 120.86 3kpr s LEU 149 Ca 0.18 -1.04 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 3kpr s LEU 149 Cb -0.12 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 3kpr s LEU 149 CO 0.08 -0.29 0.21 0.00 -1.32 0.00 0.00 176.35 175.03 3kpr s ALA 150 N 1.65 3.44 0.16 5.97 0.00 -0.02 -1.31 121.76 131.65 3kpr s ALA 150 Ca -0.02 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.68 3kpr s ALA 150 Cb -0.18 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3kpr s ALA 150 CO -0.09 -0.88 -0.17 0.95 0.00 0.00 0.00 175.76 175.57 3kpr s THR 151 N 1.70 1.72 -0.70 0.00 -4.23 -0.44 -0.25 115.64 113.44 3kpr s THR 151 Ca 0.06 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3kpr s THR 151 Cb -0.17 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.88 3kpr s THR 151 CO 0.09 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3kpr n GLY 152 N 0.33 0.52 3.90 3.99 0.00 0.13 -1.07 105.19 112.99 3kpr n GLY 152 Ca -0.14 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3kpr n GLY 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpr s PHE 153 N -2.31 3.51 -0.19 1.61 -0.71 -1.16 -4.59 117.98 114.14 3kpr s PHE 153 Ca 0.00 0.44 -0.12 0.00 -1.04 0.00 0.00 56.93 56.21 3kpr s PHE 153 Cb 0.00 -1.91 0.06 0.00 -1.21 0.00 0.00 43.02 39.96 3kpr s PHE 153 CO 0.00 0.52 0.47 -0.47 -1.34 0.00 0.00 175.22 174.41 3kpr s TYR 154 N -1.54 -0.65 0.00 3.49 5.04 -0.38 -0.15 117.35 123.16 3kpr s TYR 154 Ca 0.36 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 3kpr s TYR 154 Cb -0.13 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.48 3kpr s TYR 154 CO 0.24 -0.34 0.00 -0.35 -1.34 0.00 0.00 175.55 173.76 3kpr n PRO 155 N 3.84 0.62 -1.38 4.97 -0.04 -1.26 -1.41 135.00 140.35 3kpr n PRO 155 Ca -0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 3kpr n PRO 155 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 3kpr n PRO 155 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3kpr n ASP 156 N -2.24 3.48 -3.31 3.54 2.03 -1.26 -4.72 116.55 114.07 3kpr n ASP 156 Ca 0.00 -2.72 -0.26 0.00 0.52 0.00 0.00 54.79 52.33 3kpr n ASP 156 Cb 0.00 -1.36 -0.07 0.00 -0.72 0.00 0.00 41.12 38.97 3kpr n ASP 156 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3kpr n HIS 157 N 6.55 2.19 -4.55 -0.67 8.25 -1.26 -5.09 115.22 120.64 3kpr n HIS 157 Ca 0.52 -3.93 -0.25 0.00 -0.26 0.00 0.00 57.72 53.79 3kpr n HIS 157 Cb 0.38 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.90 3kpr n HIS 157 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3kpr s VAL 158 N -2.15 1.67 -0.22 1.59 -7.23 -1.26 -2.31 120.40 110.48 3kpr s VAL 158 Ca 0.39 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3kpr s VAL 158 Cb 0.17 -2.91 0.11 0.00 0.56 0.00 0.00 36.38 34.31 3kpr s VAL 158 CO -0.05 0.00 0.30 -1.61 -0.31 0.00 0.00 175.10 173.43 3kpr s GLU 159 N -3.78 0.26 -0.05 4.82 2.02 -0.38 -4.96 118.70 116.62 3kpr s GLU 159 Ca 0.35 0.41 -0.07 0.00 0.02 0.00 0.00 54.97 55.68 3kpr s GLU 159 Cb 0.09 -0.77 -0.04 0.00 0.10 0.00 0.00 34.13 33.51 3kpr s GLU 159 CO 0.17 -0.62 0.21 -1.17 0.02 0.00 0.00 175.26 173.87 3kpr s LEU 160 N 2.44 4.39 0.01 1.80 0.20 -1.26 -0.46 118.68 125.80 3kpr s LEU 160 Ca 0.09 0.52 -0.03 0.00 0.69 0.00 0.00 54.13 55.41 3kpr s LEU 160 Cb -0.15 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.21 3kpr s LEU 160 CO -0.14 0.33 0.03 -0.94 -0.29 0.00 0.00 176.35 175.35 3kpr s SER 161 N -1.39 0.15 -0.13 3.68 1.04 0.10 -5.00 113.70 112.16 3kpr s SER 161 Ca 0.22 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 3kpr s SER 161 Cb -0.13 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 3kpr s SER 161 CO 0.11 -0.30 0.08 0.26 0.98 0.00 0.00 173.24 174.37 3kpr s TRP 162 N -1.32 3.39 -0.18 5.02 0.52 -1.26 -0.48 118.94 124.62 3kpr s TRP 162 Ca -0.14 0.33 -0.00 0.00 0.02 0.00 0.00 56.10 56.30 3kpr s TRP 162 Cb -0.08 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.34 3kpr s TRP 162 CO -0.00 0.52 -0.07 -1.58 0.02 0.00 0.00 176.95 175.84 3kpr s TRP 163 N -0.63 1.95 -0.25 -1.98 0.52 0.81 -1.66 118.94 117.70 3kpr s TRP 163 Ca 0.12 -1.27 -0.06 0.00 0.02 0.00 0.00 56.10 54.91 3kpr s TRP 163 Cb -0.12 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 3kpr s TRP 163 CO 0.02 -0.66 0.03 0.08 0.02 0.00 0.00 176.95 176.44 3kpr s VAL 164 N 1.55 3.90 -1.56 4.03 1.01 0.22 -0.45 120.40 129.10 3kpr s VAL 164 Ca -0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3kpr s VAL 164 Cb -0.16 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.48 3kpr s VAL 164 CO -0.08 0.31 0.88 0.59 0.00 0.00 0.00 175.10 176.80 3kpr n ASN 165 N 4.87 -4.36 0.00 3.32 3.02 0.11 -1.37 115.26 120.85 3kpr n ASN 165 Ca -0.16 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3kpr n ASN 165 Cb 0.50 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 3kpr n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kpr n GLY 166 N -1.55 0.60 3.10 7.41 0.00 -1.26 -5.03 105.19 108.45 3kpr n GLY 166 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3kpr n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpr s LYS 167 N -0.05 2.50 0.24 1.61 1.02 -0.47 -5.10 119.74 119.50 3kpr s LYS 167 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 3kpr s LYS 167 Cb 0.00 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 3kpr s LYS 167 CO 0.00 -0.03 1.36 -2.00 -0.92 0.00 0.00 175.35 173.76 3kpr s GLU 168 N 0.87 4.34 -0.03 1.68 2.12 -1.26 -0.61 118.70 125.81 3kpr s GLU 168 Ca -0.08 2.18 0.07 0.00 0.36 0.00 0.00 54.97 57.50 3kpr s GLU 168 Cb -0.15 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 3kpr s GLU 168 CO -0.01 -0.30 -0.25 0.14 -0.54 0.00 0.00 175.26 174.30 3kpr s VAL 169 N -0.19 2.04 -0.03 3.70 -7.23 -0.66 -4.91 120.40 113.13 3kpr s VAL 169 Ca 0.56 -1.09 0.05 0.00 -1.81 0.00 0.00 61.98 59.69 3kpr s VAL 169 Cb -0.39 -1.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 3kpr s VAL 169 CO 0.43 0.57 0.06 1.41 -0.31 0.00 0.00 175.10 177.27 3kpr n HIS 170 N 2.62 0.00 -2.21 2.82 8.25 -1.26 -4.46 115.22 120.97 3kpr n HIS 170 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 3kpr n HIS 170 Cb 0.51 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 3kpr n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kpr s SER 171 N -3.06 6.88 -0.29 0.41 0.15 -1.26 -3.19 113.70 113.34 3kpr s SER 171 Ca -0.02 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.00 3kpr s SER 171 Cb 0.02 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3kpr s SER 171 CO 0.20 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3kpr n GLY 172 N 2.66 0.60 3.54 9.45 0.00 -1.26 -4.83 105.19 115.34 3kpr n GLY 172 Ca 0.07 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3kpr n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpr s VAL 173 N -2.01 3.61 -0.04 1.61 1.01 -1.19 -0.48 120.40 122.91 3kpr s VAL 173 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3kpr s VAL 173 Cb 0.00 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kpr s VAL 173 CO 0.00 0.57 0.03 -0.55 0.00 0.00 0.00 175.10 175.16 3kpr s SER 174 N -0.49 0.93 -0.09 3.32 0.15 0.02 -4.98 113.70 112.56 3kpr s SER 174 Ca 0.07 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.77 3kpr s SER 174 Cb -0.12 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 3kpr s SER 174 CO 0.02 -0.19 -0.17 -0.89 1.20 0.00 0.00 173.24 173.21 3kpr s THR 175 N 1.76 1.56 0.08 6.45 2.01 -1.26 0.33 115.64 126.57 3kpr s THR 175 Ca 0.00 -0.71 -0.36 0.00 0.31 0.00 0.00 61.69 60.93 3kpr s THR 175 Cb -0.12 -1.39 -0.18 0.00 0.01 0.00 0.00 72.50 70.81 3kpr s THR 175 CO -0.03 0.45 1.04 0.47 -0.69 0.00 0.00 174.62 175.86 3kpr n ASP 176 N 3.86 0.33 -0.03 3.53 8.00 -0.93 -4.86 116.55 126.45 3kpr n ASP 176 Ca -0.20 1.14 -0.06 0.00 0.71 0.00 0.00 54.79 56.38 3kpr n ASP 176 Cb 0.52 -1.03 0.14 0.00 -0.02 0.00 0.00 41.12 40.73 3kpr n ASP 176 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3kpr h PRO 177 N 2.98 0.62 -5.73 -0.24 0.11 -1.99 -3.44 132.00 124.30 3kpr h PRO 177 Ca -0.45 -0.25 -0.51 0.00 0.11 0.00 0.00 66.00 64.90 3kpr h PRO 177 Cb 1.40 -0.03 -0.25 0.00 0.11 0.00 0.00 31.00 32.23 3kpr h PRO 177 CO 0.67 0.82 -0.82 -0.65 -0.21 0.00 0.00 178.00 177.81 3kpr s GLN 178 N -4.50 1.14 0.64 1.05 -1.52 -1.26 -5.15 119.66 110.05 3kpr s GLN 178 Ca -0.08 -0.89 -0.11 0.00 -1.95 0.00 0.00 55.36 52.33 3kpr s GLN 178 Cb 0.13 -1.22 -0.03 0.00 -0.22 0.00 0.00 33.01 31.67 3kpr s GLN 178 CO 0.81 0.30 1.04 -1.25 -0.25 0.00 0.00 175.29 175.95 3kpr s PRO 179 N -1.26 3.46 0.10 2.91 0.04 -1.26 -4.97 135.00 134.02 3kpr s PRO 179 Ca 0.04 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 3kpr s PRO 179 Cb -0.09 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3kpr s PRO 179 CO 0.02 -0.66 0.39 -0.51 0.04 0.00 0.00 177.00 176.28 3kpr s LEU 180 N -5.21 4.31 -0.15 -3.56 1.02 0.61 -4.91 118.68 110.79 3kpr s LEU 180 Ca 0.56 0.72 -0.18 0.00 0.02 0.00 0.00 54.13 55.25 3kpr s LEU 180 Cb -0.11 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 42.96 3kpr s LEU 180 CO 0.54 0.13 0.47 -0.54 0.02 0.00 0.00 176.35 176.96 3kpr s LYS 181 N -2.18 4.27 0.09 1.70 1.02 -1.26 0.09 119.74 123.47 3kpr s LYS 181 Ca 0.36 0.39 -0.07 0.00 0.02 0.00 0.00 55.97 56.66 3kpr s LYS 181 Cb -0.13 -3.48 -0.20 0.00 -0.52 0.00 0.00 37.83 33.49 3kpr s LYS 181 CO 0.20 0.05 1.20 0.93 -0.92 0.00 0.00 175.35 176.81 3kpr h GLU 182 N 7.00 0.44 -2.38 1.68 5.08 -1.58 -3.37 114.58 121.45 3kpr h GLU 182 Ca -0.38 -0.57 -0.60 0.00 -1.00 0.00 0.00 59.36 56.81 3kpr h GLU 182 Cb 1.17 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 30.19 3kpr h GLU 182 CO 0.75 1.22 -0.69 1.04 -1.00 0.00 0.00 179.01 180.33 3kpr n GLN 183 N -3.70 1.96 0.30 2.33 6.02 -1.26 -4.96 117.38 118.07 3kpr n GLN 183 Ca -0.09 -4.33 0.19 0.00 -0.01 0.00 0.00 57.00 52.76 3kpr n GLN 183 Cb 0.93 -2.07 1.03 0.00 1.02 0.00 0.00 30.24 31.15 3kpr n GLN 183 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3kpr h PRO 184 N 4.51 0.00 -0.64 -1.09 0.13 -1.93 -2.28 132.00 130.70 3kpr h PRO 184 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 3kpr h PRO 184 Cb 0.73 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 3kpr h PRO 184 CO 0.73 0.00 0.25 0.00 -0.23 0.00 0.00 178.00 178.74 3kpr h ALA 185 N 1.93 0.83 -2.36 -0.56 0.00 -1.96 -3.45 119.26 113.67 3kpr h ALA 185 Ca 0.00 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.23 3kpr h ALA 185 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kpr h ALA 185 CO 0.00 0.45 0.04 -0.51 0.00 0.00 0.00 179.25 179.23 3kpr s LEU 186 N -9.74 3.97 0.15 0.00 1.43 -0.86 -5.01 118.68 108.64 3kpr s LEU 186 Ca -0.13 1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.94 3kpr s LEU 186 Cb 0.13 -3.91 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3kpr s LEU 186 CO 0.81 -0.27 1.52 -1.13 0.23 0.00 0.00 176.35 177.50 3kpr h ASN 187 N 1.77 1.01 -1.14 2.29 -0.00 -1.88 -3.18 115.58 114.45 3kpr h ASN 187 Ca -0.47 -0.42 -0.66 0.00 -0.00 0.00 0.00 56.30 54.74 3kpr h ASN 187 Cb 1.18 -0.28 -0.27 0.00 -0.00 0.00 0.00 38.32 38.95 3kpr h ASN 187 CO 0.65 1.22 0.86 0.47 -0.00 0.00 0.00 177.43 180.64 3kpr n ASP 188 N -4.08 7.55 -4.70 1.15 8.00 -1.26 -5.02 116.55 118.19 3kpr n ASP 188 Ca -0.01 -3.72 -0.43 0.00 0.71 0.00 0.00 54.79 51.33 3kpr n ASP 188 Cb 0.50 -1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 3kpr n ASP 188 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3kpr n SER 189 N -0.69 3.05 -4.84 -2.24 2.88 -1.20 -4.99 113.62 105.58 3kpr n SER 189 Ca 0.58 1.16 -0.32 0.00 -1.33 0.00 0.00 58.87 58.96 3kpr n SER 189 Cb 0.57 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 3kpr n SER 189 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3kpr s ARG 190 N -0.78 3.98 0.29 -1.46 0.52 -1.26 -4.88 118.95 115.36 3kpr s ARG 190 Ca 0.64 0.96 0.09 0.00 -0.52 0.00 0.00 55.73 56.90 3kpr s ARG 190 Cb -0.59 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 3kpr s ARG 190 CO 0.52 -0.24 0.07 0.71 0.02 0.00 0.00 175.30 176.38 3kpr s TYR 191 N -2.57 2.75 0.03 -0.53 2.02 0.79 -1.49 117.35 118.34 3kpr s TYR 191 Ca 0.59 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 57.07 3kpr s TYR 191 Cb -0.10 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 3kpr s TYR 191 CO 0.29 0.51 -0.14 0.00 -1.57 0.00 0.00 175.55 174.64 3kpr s ALA 192 N -2.34 1.20 -0.11 3.71 0.00 0.11 -0.69 121.76 123.64 3kpr s ALA 192 Ca 0.34 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 3kpr s ALA 192 Cb -0.05 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.90 3kpr s ALA 192 CO 0.21 0.24 0.28 -1.17 0.00 0.00 0.00 175.76 175.32 3kpr s LEU 193 N -1.02 0.61 0.17 0.00 2.96 0.66 -0.28 118.68 121.77 3kpr s LEU 193 Ca 0.02 0.59 0.10 0.00 -0.22 0.00 0.00 54.13 54.62 3kpr s LEU 193 Cb -0.07 0.91 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 3kpr s LEU 193 CO 0.01 -0.14 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.80 3kpr s SER 194 N 0.74 3.87 0.04 3.68 1.04 -1.26 -0.84 113.70 120.97 3kpr s SER 194 Ca -0.05 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3kpr s SER 194 Cb -0.06 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.52 3kpr s SER 194 CO -0.05 0.13 -0.03 -0.55 0.98 0.00 0.00 173.24 173.73 3kpr s SER 195 N -2.57 0.36 -0.06 7.02 0.15 -0.38 -2.18 113.70 116.04 3kpr s SER 195 Ca 0.21 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 56.16 3kpr s SER 195 Cb -0.09 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 3kpr s SER 195 CO 0.12 -0.45 -0.17 -0.13 1.20 0.00 0.00 173.24 173.81 3kpr s ARG 196 N -2.68 2.02 -0.16 5.44 0.52 0.15 -0.14 118.95 124.10 3kpr s ARG 196 Ca -0.05 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3kpr s ARG 196 Cb -0.01 -1.66 0.02 0.00 0.52 0.00 0.00 34.95 33.82 3kpr s ARG 196 CO -0.05 0.16 -0.19 -1.17 0.02 0.00 0.00 175.30 174.06 3kpr s LEU 197 N 0.31 2.01 -0.18 2.53 2.96 0.33 -0.80 118.68 125.84 3kpr s LEU 197 Ca -0.11 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 3kpr s LEU 197 Cb -0.14 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3kpr s LEU 197 CO 0.04 0.01 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.39 3kpr s ARG 198 N 1.19 3.35 0.26 1.98 3.52 0.37 -0.10 118.95 129.51 3kpr s ARG 198 Ca 0.01 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.02 3kpr s ARG 198 Cb -0.14 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.39 3kpr s ARG 198 CO -0.09 -0.03 -0.09 0.14 -0.81 0.00 0.00 175.30 174.42 3kpr s VAL 199 N 0.99 1.74 0.50 7.11 -7.23 -0.76 -4.64 120.40 118.12 3kpr s VAL 199 Ca -0.01 -2.17 -0.21 0.00 -1.81 0.00 0.00 61.98 57.78 3kpr s VAL 199 Cb -0.15 -2.33 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 3kpr s VAL 199 CO -0.01 -0.39 1.10 -0.94 -0.31 0.00 0.00 175.10 174.56 3kpr s SER 200 N -3.41 6.06 0.24 4.85 1.04 -1.26 0.53 113.70 121.74 3kpr s SER 200 Ca 0.28 2.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.74 3kpr s SER 200 Cb 0.02 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.95 3kpr s SER 200 CO 0.11 -0.98 1.63 0.00 0.98 0.00 0.00 173.24 174.98 3kpr h ALA 201 N 1.57 0.70 0.00 5.32 0.00 -0.75 -1.30 119.26 124.80 3kpr h ALA 201 Ca -0.50 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kpr h ALA 201 Cb 1.24 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3kpr h ALA 201 CO 0.59 -0.42 -0.08 1.79 0.00 0.00 0.00 179.25 181.12 3kpr h THR 202 N 0.08 0.25 -0.23 0.00 1.35 -1.92 0.13 112.91 112.57 3kpr h THR 202 Ca 0.39 -0.66 -0.14 0.00 -0.55 0.00 0.00 66.41 65.45 3kpr h THR 202 Cb 0.67 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3kpr h THR 202 CO -0.67 0.08 -0.44 0.15 -0.25 0.00 0.00 175.52 174.39 3kpr h PHE 203 N 0.00 0.69 -0.00 4.73 3.04 -1.61 -2.89 116.94 120.89 3kpr h PHE 203 Ca -0.00 -0.21 -0.20 0.00 3.98 0.00 0.00 57.97 61.54 3kpr h PHE 203 Cb 0.51 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 3kpr h PHE 203 CO 0.00 0.91 -0.87 2.35 -2.02 0.00 0.00 178.31 178.68 3kpr h TRP 204 N 0.46 0.39 0.00 0.41 2.91 -1.26 -3.35 115.95 115.51 3kpr h TRP 204 Ca 0.03 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.84 3kpr h TRP 204 Cb 0.96 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 3kpr h TRP 204 CO 0.04 1.01 0.00 1.04 -1.03 0.00 0.00 178.44 179.50 3kpr n GLN 205 N -3.70 0.92 -3.76 2.65 6.02 0.35 -2.00 117.38 117.86 3kpr n GLN 205 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.66 3kpr n GLN 205 Cb 0.80 -1.04 -0.16 0.00 1.02 0.00 0.00 30.24 30.86 3kpr n GLN 205 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kpr s ASN 206 N 1.97 3.12 0.59 1.08 3.84 -1.25 -4.49 114.94 119.80 3kpr s ASN 206 Ca 0.00 -0.93 0.29 0.00 0.21 0.00 0.00 52.86 52.43 3kpr s ASN 206 Cb 0.00 -0.69 1.70 0.00 -0.55 0.00 0.00 41.25 41.70 3kpr s ASN 206 CO 0.00 -0.30 2.14 1.55 -2.79 0.00 0.00 177.10 177.70 3kpr h PRO 207 N 8.20 0.00 0.00 0.43 0.13 -1.84 -1.38 132.00 137.53 3kpr h PRO 207 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3kpr h PRO 207 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3kpr h PRO 207 CO 0.36 0.00 -0.43 0.54 -0.23 0.00 0.00 178.00 178.24 3kpr n ARG 208 N -3.83 0.26 -2.55 0.86 1.74 -1.26 -4.39 116.66 107.49 3kpr n ARG 208 Ca 0.00 0.12 -0.38 0.00 -0.77 0.00 0.00 57.85 56.82 3kpr n ARG 208 Cb 0.26 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 3kpr n ARG 208 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3kpr s ASN 209 N -4.22 6.97 -0.08 0.55 0.01 -0.52 -4.96 114.94 112.69 3kpr s ASN 209 Ca 0.08 2.08 -0.01 0.00 -0.71 0.00 0.00 52.86 54.30 3kpr s ASN 209 Cb 0.13 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.23 3kpr s ASN 209 CO 0.68 -0.34 -0.00 -2.28 -1.51 0.00 0.00 177.10 173.65 3kpr s HIS 210 N -1.50 0.75 -0.19 2.20 5.65 -1.26 -1.35 115.29 119.59 3kpr s HIS 210 Ca 0.53 -0.25 -0.00 0.00 0.25 0.00 0.00 55.06 55.59 3kpr s HIS 210 Cb -0.25 -0.85 0.01 0.00 -1.18 0.00 0.00 32.58 30.32 3kpr s HIS 210 CO 0.31 -0.36 -0.15 -0.06 -0.65 0.00 0.00 174.74 173.83 3kpr s PHE 211 N 1.95 2.82 -0.08 3.88 0.40 -0.10 -0.71 117.98 126.14 3kpr s PHE 211 Ca 0.05 -1.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.01 3kpr s PHE 211 Cb -0.13 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.44 3kpr s PHE 211 CO -0.06 -0.71 -0.20 0.50 0.70 0.00 0.00 175.22 175.46 3kpr s ARG 212 N 1.29 2.49 -0.47 0.44 3.52 0.41 0.04 118.95 126.67 3kpr s ARG 212 Ca 0.04 -0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.76 3kpr s ARG 212 Cb -0.14 -1.95 0.05 0.00 -1.56 0.00 0.00 34.95 31.36 3kpr s ARG 212 CO -0.09 0.15 0.47 0.00 -0.81 0.00 0.00 175.30 175.02 3kpr s GLN 214 N 2.09 3.90 -0.23 0.00 0.74 0.37 -1.94 119.66 124.59 3kpr s GLN 214 Ca 0.10 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.55 3kpr s GLN 214 Cb -0.20 -3.30 0.06 0.00 1.10 0.00 0.00 33.01 30.66 3kpr s GLN 214 CO 0.10 0.52 -0.06 0.08 -0.55 0.00 0.00 175.29 175.39 3kpr s VAL 215 N -0.37 1.53 -0.35 1.34 1.01 -0.28 0.00 120.40 123.28 3kpr s VAL 215 Ca 0.16 -1.19 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 3kpr s VAL 215 Cb -0.13 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3kpr s VAL 215 CO 0.05 -0.08 0.97 -1.58 0.00 0.00 0.00 175.10 174.47 3kpr s GLN 216 N 1.40 3.93 -0.20 2.72 2.00 0.39 -1.63 119.66 128.27 3kpr s GLN 216 Ca -0.05 0.76 -0.06 0.00 -2.00 0.00 0.00 55.36 54.00 3kpr s GLN 216 Cb -0.19 -3.78 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 3kpr s GLN 216 CO -0.06 -0.92 0.04 0.12 -0.50 0.00 0.00 175.29 173.96 3kpr s PHE 217 N 3.53 3.14 -0.32 1.67 5.36 -0.19 -1.25 117.98 129.92 3kpr s PHE 217 Ca 0.41 -0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 56.08 3kpr s PHE 217 Cb -0.12 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 3kpr s PHE 217 CO 0.17 -0.06 0.20 0.71 -1.46 0.00 0.00 175.22 174.78 3kpr s TYR 218 N 0.77 3.20 0.00 10.12 1.51 -0.98 -1.29 117.35 130.69 3kpr s TYR 218 Ca 0.02 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3kpr s TYR 218 Cb -0.14 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 3kpr s TYR 218 CO 0.02 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.48 3kpr n GLY 219 N 5.04 3.93 3.98 0.71 0.00 -1.26 -4.78 105.19 112.81 3kpr n GLY 219 Ca -0.13 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3kpr n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kpr s LEU 220 N 0.00 2.96 0.22 0.99 1.02 -0.92 -4.50 118.68 118.45 3kpr s LEU 220 Ca 0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 53.96 3kpr s LEU 220 Cb 0.00 -2.23 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 3kpr s LEU 220 CO 0.00 -1.86 0.18 -0.94 0.02 0.00 0.00 176.35 173.76 3kpr s SER 221 N -4.70 0.22 0.65 2.29 1.04 -1.26 0.20 113.70 112.14 3kpr s SER 221 Ca 0.66 -1.36 0.40 0.00 0.48 0.00 0.00 55.95 56.13 3kpr s SER 221 Cb -0.06 0.42 2.24 0.00 0.10 0.00 0.00 66.02 68.72 3kpr s SER 221 CO 0.45 -0.89 2.33 -0.33 0.98 0.00 0.00 173.24 175.78 3kpr h GLU 222 N 2.54 0.00 -0.69 4.02 5.08 -2.00 -1.26 114.58 122.27 3kpr h GLU 222 Ca -0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3kpr h GLU 222 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3kpr h GLU 222 CO 0.50 0.00 0.36 -0.97 -1.00 0.00 0.00 179.01 177.90 3kpr h ASN 223 N 0.00 0.86 -4.22 1.42 -0.00 -2.04 -3.43 115.58 108.17 3kpr h ASN 223 Ca 0.00 -0.07 -0.50 0.00 -0.00 0.00 0.00 56.30 55.72 3kpr h ASN 223 Cb 0.02 -0.22 0.09 0.00 -0.00 0.00 0.00 38.32 38.20 3kpr h ASN 223 CO -0.00 0.71 0.37 -1.81 -0.00 0.00 0.00 177.43 176.70 3kpr s ASP 224 N -6.43 5.42 0.02 1.15 -0.00 -0.48 -5.06 116.67 111.29 3kpr s ASP 224 Ca -0.11 1.85 0.00 0.00 -0.00 0.00 0.00 52.55 54.30 3kpr s ASP 224 Cb 0.17 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 3kpr s ASP 224 CO 0.79 -1.42 0.10 -0.70 -0.00 0.00 0.00 175.17 173.95 3kpr s GLU 225 N -4.26 3.09 -0.03 8.23 2.12 -1.26 -4.88 118.70 121.71 3kpr s GLU 225 Ca 0.64 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 55.45 3kpr s GLU 225 Cb -0.17 -2.87 0.03 0.00 0.26 0.00 0.00 34.13 31.38 3kpr s GLU 225 CO 0.42 0.63 0.04 -0.46 -0.54 0.00 0.00 175.26 175.35 3kpr s TRP 226 N -1.27 0.04 0.00 5.30 -0.11 -1.26 -5.03 118.94 116.61 3kpr s TRP 226 Ca 0.25 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.75 3kpr s TRP 226 Cb -0.12 -0.32 0.00 0.00 -1.50 0.00 0.00 33.47 31.53 3kpr s TRP 226 CO 0.17 -0.13 0.83 0.25 -4.62 0.00 0.00 176.95 173.45 3kpr n THR 227 N 4.57 0.68 -2.40 5.86 -2.24 -1.26 -5.06 114.28 114.42 3kpr n THR 227 Ca -0.19 -0.80 -0.26 0.00 -2.27 0.00 0.00 64.05 60.52 3kpr n THR 227 Cb 0.50 0.68 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 3kpr n THR 227 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kpr s GLN 228 N -0.68 2.84 0.02 -0.78 -1.52 -1.26 -5.03 119.66 113.26 3kpr s GLN 228 Ca 0.00 -0.07 -0.18 0.00 -1.95 0.00 0.00 55.36 53.16 3kpr s GLN 228 Cb 0.00 -2.28 -0.25 0.00 -0.22 0.00 0.00 33.01 30.27 3kpr s GLN 228 CO 0.00 -0.74 1.11 -0.44 -0.25 0.00 0.00 175.29 174.97 3kpr h ASP 229 N -0.19 0.67 -4.21 5.90 5.19 -2.06 -3.46 116.42 118.25 3kpr h ASP 229 Ca -0.45 -0.78 -0.50 0.00 -0.62 0.00 0.00 57.03 54.68 3kpr h ASP 229 Cb 1.26 -0.21 0.13 0.00 0.18 0.00 0.00 39.33 40.70 3kpr h ASP 229 CO 0.60 1.36 0.29 0.00 -3.12 0.00 0.00 179.24 178.38 3kpr s ARG 230 N -3.15 1.87 0.28 3.56 1.70 -1.26 -4.95 118.95 117.01 3kpr s ARG 230 Ca -0.12 0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 55.81 3kpr s ARG 230 Cb 0.04 -1.87 -0.13 0.00 -0.57 0.00 0.00 34.95 32.42 3kpr s ARG 230 CO 0.86 -1.85 1.26 0.00 -1.08 0.00 0.00 175.30 174.49 3kpr n ALA 231 N -3.64 0.75 -1.76 7.88 0.00 -1.26 -4.88 120.51 117.60 3kpr n ALA 231 Ca 0.08 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3kpr n ALA 231 Cb 0.54 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3kpr n ALA 231 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kpr s LYS 232 N -1.17 4.15 -1.03 0.00 2.20 -1.26 -4.86 119.74 117.77 3kpr s LYS 232 Ca 0.62 2.50 -0.07 0.00 -0.36 0.00 0.00 55.97 58.66 3kpr s LYS 232 Cb -0.65 -4.11 -0.10 0.00 -1.51 0.00 0.00 37.83 31.47 3kpr s LYS 232 CO 0.56 -0.93 2.60 -0.35 -0.36 0.00 0.00 175.35 176.88 3kpr n PRO 233 N 7.42 2.64 -1.37 4.03 -0.04 -1.26 -4.92 135.00 141.50 3kpr n PRO 233 Ca 0.19 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.72 3kpr n PRO 233 Cb 0.41 -2.49 0.09 0.00 -0.04 0.00 0.00 33.50 31.48 3kpr n PRO 233 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kpr s VAL 234 N 2.55 3.34 -0.10 0.52 -7.23 -1.26 -2.15 120.40 116.07 3kpr s VAL 234 Ca 0.54 0.43 -0.35 0.00 -1.81 0.00 0.00 61.98 60.79 3kpr s VAL 234 Cb 0.16 -3.02 -0.13 0.00 0.56 0.00 0.00 36.38 33.95 3kpr s VAL 234 CO -0.04 -0.57 1.83 0.41 -0.31 0.00 0.00 175.10 176.42 3kpr n THR 235 N -3.48 0.49 -3.87 5.32 -1.04 0.13 -4.48 114.28 107.34 3kpr n THR 235 Ca 0.08 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 3kpr n THR 235 Cb 0.54 -1.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 3kpr n THR 235 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kpr s GLN 236 N 3.71 1.34 -0.19 -2.82 -2.07 -0.41 -4.91 119.66 114.31 3kpr s GLN 236 Ca 0.92 -1.06 -0.09 0.00 -1.82 0.00 0.00 55.36 53.32 3kpr s GLN 236 Cb -0.75 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 31.58 3kpr s GLN 236 CO 0.53 -0.54 0.09 0.96 -1.32 0.00 0.00 175.29 175.01 3kpr s ILE 237 N -3.94 5.07 -0.10 3.63 -5.25 -1.26 -1.02 121.20 118.33 3kpr s ILE 237 Ca 0.15 0.07 0.01 0.00 -0.99 0.00 0.00 60.65 59.89 3kpr s ILE 237 Cb 0.01 -3.30 0.02 0.00 2.95 0.00 0.00 42.46 42.13 3kpr s ILE 237 CO 0.01 0.45 -0.13 -0.69 -1.79 0.00 0.00 174.94 172.79 3kpr s VAL 238 N 0.37 1.32 0.03 8.37 1.01 -0.65 -4.98 120.40 125.88 3kpr s VAL 238 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3kpr s VAL 238 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3kpr s VAL 238 CO -0.01 0.41 -0.04 -0.94 0.00 0.00 0.00 175.10 174.52 3kpr s SER 239 N 1.02 0.43 0.02 3.32 1.04 -1.26 -1.12 113.70 117.15 3kpr s SER 239 Ca -0.07 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.83 3kpr s SER 239 Cb -0.15 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 3kpr s SER 239 CO -0.01 -0.32 -0.15 0.00 0.98 0.00 0.00 173.24 173.74 3kpr s ALA 240 N -1.79 1.21 0.03 5.32 0.00 -0.82 -4.91 121.76 120.81 3kpr s ALA 240 Ca -0.11 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3kpr s ALA 240 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3kpr s ALA 240 CO -0.02 0.26 -0.12 -1.83 0.00 0.00 0.00 175.76 174.06 3kpr s GLU 241 N -0.79 0.79 -0.05 0.00 -1.05 -1.26 -0.49 118.70 115.84 3kpr s GLU 241 Ca 0.04 -0.68 0.04 0.00 -0.15 0.00 0.00 54.97 54.22 3kpr s GLU 241 Cb -0.07 -0.75 -0.00 0.00 -0.44 0.00 0.00 34.13 32.88 3kpr s GLU 241 CO 0.01 0.18 -0.18 0.00 0.95 0.00 0.00 175.26 176.22 3kpr s ALA 242 N -0.85 1.59 -0.03 -0.84 0.00 0.11 -4.96 121.76 116.79 3kpr s ALA 242 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3kpr s ALA 242 Cb -0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3kpr s ALA 242 CO 0.01 0.26 0.30 -1.58 0.00 0.00 0.00 175.76 174.75 3kpr s TRP 243 N 0.16 3.65 0.86 0.00 0.52 -1.26 -0.92 118.94 121.94 3kpr s TRP 243 Ca -0.07 0.75 -0.13 0.00 0.02 0.00 0.00 56.10 56.68 3kpr s TRP 243 Cb -0.13 -2.11 0.08 0.00 -1.15 0.00 0.00 33.47 30.15 3kpr s TRP 243 CO 0.03 0.66 0.97 0.41 0.02 0.00 0.00 176.95 179.04 3kpr n GLY 244 N 1.64 -0.64 2.92 0.98 0.00 -0.46 -5.00 105.19 104.63 3kpr n GLY 244 Ca -0.15 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 3kpr n GLY 244 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kpr s ARG 245 N -4.02 0.99 0.09 1.61 3.52 -0.85 -3.88 118.95 116.42 3kpr s ARG 245 Ca 0.68 -0.16 -0.13 0.00 -0.13 0.00 0.00 55.73 55.98 3kpr s ARG 245 Cb -0.27 -0.95 -0.20 0.00 -1.56 0.00 0.00 34.95 31.98 3kpr s ARG 245 CO 0.57 -0.06 1.23 0.00 -0.81 0.00 0.00 175.30 176.22 3kpr h ALA 246 N 7.15 0.19 0.00 6.12 0.00 -1.86 -3.38 119.26 127.49 3kpr h ALA 246 Ca -0.36 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3kpr h ALA 246 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kpr h ALA 246 CO 0.47 0.69 0.00 -3.47 0.00 0.00 0.00 179.25 176.94