#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 5.30 0.19 1.61 1.01 -1.26 -3.72 120.40 123.54 3kpr s VAL 4 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.24 3kpr s VAL 4 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3kpr s VAL 4 CO 0.00 0.25 -0.14 -0.94 0.00 0.00 0.00 175.10 174.27 3kpr s SER 5 N 1.75 2.43 -0.00 3.32 1.04 -0.46 -4.32 113.70 117.46 3kpr s SER 5 Ca 0.07 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 3kpr s SER 5 Cb -0.16 -0.11 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 3kpr s SER 5 CO 0.11 -0.19 0.02 -1.10 0.98 0.00 0.00 173.24 173.06 3kpr s GLN 6 N -3.63 0.14 -0.01 4.02 -0.21 -1.26 -0.61 119.66 118.10 3kpr s GLN 6 Ca 0.21 -0.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.42 3kpr s GLN 6 Cb -0.00 0.06 0.00 0.00 1.00 0.00 0.00 33.01 34.06 3kpr s GLN 6 CO 0.06 -0.02 0.03 -1.54 -2.12 0.00 0.00 175.29 171.69 3kpr s SER 7 N -0.47 -0.01 0.83 5.90 1.04 -0.69 -4.35 113.70 115.95 3kpr s SER 7 Ca -0.05 0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 3kpr s SER 7 Cb -0.03 0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.25 3kpr s SER 7 CO -0.00 -0.05 1.17 -2.16 0.98 0.00 0.00 173.24 173.18 3kpr s PRO 8 N -0.17 1.80 0.16 4.02 0.04 -1.26 -1.53 135.00 138.05 3kpr s PRO 8 Ca -0.02 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.07 3kpr s PRO 8 Cb -0.01 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3kpr s PRO 8 CO -0.00 -1.72 1.58 0.00 0.04 0.00 0.00 177.00 176.91 3kpr h ARG 9 N -1.15 0.96 -4.65 4.56 2.47 -1.82 -3.41 114.38 111.34 3kpr h ARG 9 Ca -0.47 -0.35 -0.34 0.00 -1.26 0.00 0.00 59.98 57.57 3kpr h ARG 9 Cb 1.33 -0.06 -0.25 0.00 -1.65 0.00 0.00 29.97 29.33 3kpr h ARG 9 CO 0.65 1.01 -0.76 0.71 0.56 0.00 0.00 179.97 182.14 3kpr s TYR 10 N -4.87 0.73 -0.08 3.04 1.51 -1.26 -0.97 117.35 115.45 3kpr s TYR 10 Ca -0.12 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3kpr s TYR 10 Cb 0.12 -0.44 0.04 0.00 -0.11 0.00 0.00 41.96 41.57 3kpr s TYR 10 CO 0.85 -0.03 0.16 0.21 -1.11 0.00 0.00 175.55 175.63 3kpr s LYS 11 N -0.88 0.09 -0.15 -0.62 2.47 -0.18 -4.94 119.74 115.53 3kpr s LYS 11 Ca -0.02 0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 54.77 3kpr s LYS 11 Cb -0.06 -0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.07 3kpr s LYS 11 CO 0.00 -0.21 0.09 0.54 0.16 0.00 0.00 175.35 175.93 3kpr s VAL 12 N 1.52 5.03 0.01 4.02 0.11 -1.26 -0.87 120.40 128.95 3kpr s VAL 12 Ca -0.06 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3kpr s VAL 12 Cb -0.12 -3.22 -0.01 0.00 -1.53 0.00 0.00 36.38 31.50 3kpr s VAL 12 CO -0.06 0.53 -0.09 0.00 -3.33 0.00 0.00 175.10 172.15 3kpr s ALA 13 N -0.31 0.75 0.34 1.54 0.00 -0.08 -4.97 121.76 119.02 3kpr s ALA 13 Ca 0.09 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 3kpr s ALA 13 Cb -0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 3kpr s ALA 13 CO 0.01 0.15 1.00 0.21 0.00 0.00 0.00 175.76 177.14 3kpr s LYS 14 N -0.53 4.47 0.03 0.00 2.20 -1.26 0.19 119.74 124.84 3kpr s LYS 14 Ca 0.01 1.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 3kpr s LYS 14 Cb -0.05 -2.80 -0.09 0.00 -1.51 0.00 0.00 37.83 33.38 3kpr s LYS 14 CO 0.00 0.14 1.97 -2.13 -0.36 0.00 0.00 175.35 174.97 3kpr n ARG 15 N 0.50 2.84 0.00 4.03 0.63 0.43 -1.42 116.66 123.67 3kpr n ARG 15 Ca 0.02 1.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 3kpr n ARG 15 Cb 0.49 -2.99 0.00 0.00 0.45 0.00 0.00 32.46 30.41 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 4.55 0.55 3.81 5.14 0.00 0.38 -4.93 105.19 114.69 3kpr n GLY 16 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3kpr n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kpr s GLN 17 N -0.71 4.28 0.22 1.61 0.74 -0.50 -4.13 119.66 121.17 3kpr s GLN 17 Ca 0.00 0.85 -0.26 0.00 0.05 0.00 0.00 55.36 56.01 3kpr s GLN 17 Cb 0.00 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 3kpr s GLN 17 CO 0.00 0.53 0.84 -0.51 -0.55 0.00 0.00 175.29 175.61 3kpr s ASP 18 N -1.34 7.40 0.06 6.67 1.01 -1.26 -1.00 116.67 128.21 3kpr s ASP 18 Ca 0.36 1.73 0.03 0.00 0.71 0.00 0.00 52.55 55.38 3kpr s ASP 18 Cb -0.19 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 3kpr s ASP 18 CO 0.21 0.12 -0.10 0.68 0.21 0.00 0.00 175.17 176.30 3kpr s VAL 19 N -1.30 0.77 -0.12 -1.27 -7.23 -0.65 -4.95 120.40 105.65 3kpr s VAL 19 Ca 0.41 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 3kpr s VAL 19 Cb -0.22 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.78 3kpr s VAL 19 CO 0.27 -0.41 -0.21 0.00 -0.31 0.00 0.00 175.10 174.43 3kpr s ALA 20 N -1.71 2.11 -0.21 1.32 0.00 -1.26 -1.66 121.76 120.35 3kpr s ALA 20 Ca -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 3kpr s ALA 20 Cb -0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3kpr s ALA 20 CO 0.00 0.04 -0.03 -0.51 0.00 0.00 0.00 175.76 175.26 3kpr s LEU 21 N 0.73 2.99 -0.11 0.00 1.43 -0.07 -4.66 118.68 118.99 3kpr s LEU 21 Ca -0.10 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3kpr s LEU 21 Cb -0.16 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3kpr s LEU 21 CO 0.01 0.01 -0.01 -0.60 0.23 0.00 0.00 176.35 175.99 3kpr s ARG 22 N 1.30 3.26 -0.06 1.70 3.52 -0.58 -0.41 118.95 127.68 3kpr s ARG 22 Ca 0.04 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 3kpr s ARG 22 Cb -0.14 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3kpr s ARG 22 CO -0.01 0.53 -0.14 0.00 -0.81 0.00 0.00 175.30 174.87 3kpr s ASP 24 N 0.43 5.37 0.89 0.00 1.01 0.22 -1.78 116.67 122.80 3kpr s ASP 24 Ca -0.11 -1.93 -0.14 0.00 0.71 0.00 0.00 52.55 51.08 3kpr s ASP 24 Cb -0.14 -1.87 0.14 0.00 1.01 0.00 0.00 42.92 42.05 3kpr s ASP 24 CO 0.03 -0.56 1.23 -2.16 0.21 0.00 0.00 175.17 173.92 3kpr s PRO 25 N 1.21 1.31 0.20 8.23 0.04 -1.26 -1.35 135.00 143.38 3kpr s PRO 25 Ca 0.07 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.72 3kpr s PRO 25 Cb -0.23 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3kpr s PRO 25 CO -0.03 -2.01 1.35 0.42 0.04 0.00 0.00 177.00 176.77 3kpr s ILE 26 N -3.66 3.11 0.16 0.56 1.01 -1.24 -4.74 121.20 116.38 3kpr s ILE 26 Ca 0.67 0.89 -0.32 0.00 0.00 0.00 0.00 60.65 61.90 3kpr s ILE 26 Cb -0.08 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 3kpr s ILE 26 CO 0.51 0.13 1.79 -0.24 0.00 0.00 0.00 174.94 177.13 3kpr n SER 27 N 2.78 4.02 0.00 3.58 2.88 -1.26 -2.17 113.62 123.45 3kpr n SER 27 Ca 0.07 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3kpr n SER 27 Cb 0.42 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 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 4.12 0.70 3.63 0.46 0.00 -1.26 -5.05 105.19 107.79 3kpr n GLY 28 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.19 2.98 0.24 1.61 4.02 -0.92 -4.92 115.29 116.11 3kpr s HIS 29 Ca 0.00 1.02 -0.06 0.00 1.02 0.00 0.00 55.06 57.05 3kpr s HIS 29 Cb 0.00 -3.90 0.25 0.00 -1.02 0.00 0.00 32.58 27.91 3kpr s HIS 29 CO 0.00 -1.07 1.85 0.28 1.02 0.00 0.00 174.74 176.82 3kpr h VAL 30 N 5.89 1.25 -2.86 -0.90 2.07 -1.65 -3.45 116.25 116.59 3kpr h VAL 30 Ca -0.22 -0.66 -0.64 0.00 0.82 0.00 0.00 66.70 66.00 3kpr h VAL 30 Cb 1.07 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3kpr h VAL 30 CO 1.05 0.29 -0.39 -0.44 0.02 0.00 0.00 177.57 178.11 3kpr s SER 31 N -6.30 6.50 -0.03 0.57 0.01 -0.98 -0.69 113.70 112.77 3kpr s SER 31 Ca -0.12 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 57.72 3kpr s SER 31 Cb 0.17 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 64.29 3kpr s SER 31 CO 0.82 0.33 0.04 -0.22 0.41 0.00 0.00 173.24 174.62 3kpr s LEU 32 N -0.77 0.76 -0.04 2.44 0.20 -0.59 -2.14 118.68 118.55 3kpr s LEU 32 Ca 0.17 0.04 0.07 0.00 0.69 0.00 0.00 54.13 55.10 3kpr s LEU 32 Cb -0.13 -0.12 -0.02 0.00 -0.43 0.00 0.00 46.19 45.49 3kpr s LEU 32 CO 0.06 -0.17 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.35 3kpr s PHE 33 N 1.45 2.40 -0.12 5.38 0.40 0.71 -0.38 117.98 127.82 3kpr s PHE 33 Ca -0.04 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3kpr s PHE 33 Cb -0.13 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3kpr s PHE 33 CO -0.03 -0.08 -0.00 -1.58 0.70 0.00 0.00 175.22 174.23 3kpr s TRP 34 N -0.47 3.13 0.13 0.36 0.52 -0.27 -1.37 118.94 120.97 3kpr s TRP 34 Ca 0.06 0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.27 3kpr s TRP 34 Cb -0.11 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 3kpr s TRP 34 CO 0.01 0.27 -0.16 0.71 0.02 0.00 0.00 176.95 177.80 3kpr s TYR 35 N -0.33 1.53 -0.11 -1.98 1.51 0.45 0.00 117.35 118.42 3kpr s TYR 35 Ca 0.07 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3kpr s TYR 35 Cb -0.12 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 3kpr s TYR 35 CO 0.02 0.19 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.28 3kpr s GLN 36 N -2.59 3.02 -0.30 -0.62 0.74 0.11 -1.13 119.66 118.90 3kpr s GLN 36 Ca 0.10 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.67 3kpr s GLN 36 Cb -0.06 -2.34 0.08 0.00 1.10 0.00 0.00 33.01 31.80 3kpr s GLN 36 CO 0.04 0.11 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.73 3kpr s GLN 37 N 0.52 1.71 0.44 1.67 0.74 0.16 0.37 119.66 125.26 3kpr s GLN 37 Ca -0.15 -1.55 -0.21 0.00 0.05 0.00 0.00 55.36 53.51 3kpr s GLN 37 Cb -0.17 -2.95 -0.10 0.00 1.10 0.00 0.00 33.01 30.89 3kpr s GLN 37 CO 0.05 -0.78 0.99 0.00 -0.55 0.00 0.00 175.29 175.00 3kpr s ALA 38 N 1.07 2.99 0.04 1.58 0.00 -1.26 -0.36 121.76 125.82 3kpr s ALA 38 Ca 0.02 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 3kpr s ALA 38 Cb -0.19 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3kpr s ALA 38 CO -0.08 -0.06 1.90 -0.11 0.00 0.00 0.00 175.76 177.41 3kpr n LEU 39 N -0.63 3.94 0.00 0.00 0.00 -1.26 -1.48 117.00 117.57 3kpr n LEU 39 Ca 0.07 0.95 0.00 0.00 0.00 0.00 0.00 56.01 57.03 3kpr n LEU 39 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 42.45 3kpr n LEU 39 CO 0.39 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.51 3kpr n GLY 40 N 4.38 0.74 3.41 -3.96 0.00 -1.26 -5.06 105.19 103.44 3kpr n GLY 40 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.47 1.51 0.56 1.61 -0.21 -0.55 -5.15 119.66 116.97 3kpr s GLN 41 Ca 0.00 -1.74 -0.15 0.00 0.02 0.00 0.00 55.36 53.48 3kpr s GLN 41 Cb 0.00 -1.16 -0.05 0.00 1.00 0.00 0.00 33.01 32.79 3kpr s GLN 41 CO 0.00 0.08 1.02 0.20 -2.12 0.00 0.00 175.29 174.46 3kpr s GLY 42 N -3.42 2.01 0.52 3.09 0.00 -1.26 -4.63 107.32 103.63 3kpr s GLY 42 Ca 0.28 0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 3kpr s GLY 42 CO 0.11 0.51 1.37 -4.14 0.00 0.00 0.00 173.10 170.94 3kpr s PRO 43 N -4.26 3.29 -0.05 2.90 0.02 -1.26 -4.64 135.00 131.00 3kpr s PRO 43 Ca 0.60 2.26 0.06 0.00 0.02 0.00 0.00 61.00 63.94 3kpr s PRO 43 Cb -0.12 -2.36 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 3kpr s PRO 43 CO 0.37 -1.08 -0.22 -1.21 -0.33 0.00 0.00 177.00 174.53 3kpr s GLU 44 N -2.79 2.45 0.32 5.54 2.02 0.16 -4.90 118.70 121.50 3kpr s GLU 44 Ca 0.69 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.54 3kpr s GLU 44 Cb -0.41 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.50 3kpr s GLU 44 CO 0.49 0.49 1.56 0.12 0.02 0.00 0.00 175.26 177.94 3kpr s PHE 45 N -0.42 2.69 -0.04 1.61 5.36 -1.26 0.07 117.98 125.99 3kpr s PHE 45 Ca 0.04 0.91 -0.06 0.00 -0.96 0.00 0.00 56.93 56.86 3kpr s PHE 45 Cb -0.12 -4.06 -0.02 0.00 -0.34 0.00 0.00 43.02 38.48 3kpr s PHE 45 CO 0.01 -3.41 -0.13 1.28 -1.46 0.00 0.00 175.22 171.52 3kpr n LEU 46 N 1.57 0.98 -3.66 6.12 4.77 0.10 -4.23 117.00 122.64 3kpr n LEU 46 Ca 0.06 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3kpr n LEU 46 Cb 0.38 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3kpr n LEU 46 CO 0.64 -0.48 0.16 0.28 -1.33 0.00 0.00 177.39 176.66 3kpr s THR 47 N -1.94 0.06 -0.03 -5.08 -1.32 -1.20 -1.28 115.64 104.85 3kpr s THR 47 Ca -0.10 -0.46 0.05 0.00 -1.21 0.00 0.00 61.69 59.97 3kpr s THR 47 Cb 0.01 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 3kpr s THR 47 CO 0.15 -0.25 -0.17 -0.47 -2.21 0.00 0.00 174.62 171.67 3kpr s TYR 48 N -2.60 1.61 -0.16 9.09 5.04 0.11 -1.11 117.35 129.33 3kpr s TYR 48 Ca -0.04 -0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 54.20 3kpr s TYR 48 Cb -0.01 -1.07 -0.01 0.00 0.35 0.00 0.00 41.96 41.23 3kpr s TYR 48 CO -0.03 -0.09 -0.13 -0.06 -1.34 0.00 0.00 175.55 173.90 3kpr s PHE 49 N -0.18 2.82 -0.46 4.97 0.40 0.49 -2.29 117.98 123.73 3kpr s PHE 49 Ca 0.02 -0.94 -0.15 0.00 -0.60 0.00 0.00 56.93 55.25 3kpr s PHE 49 Cb -0.09 -1.92 0.06 0.00 0.51 0.00 0.00 43.02 41.59 3kpr s PHE 49 CO 0.01 -0.43 0.37 -1.14 0.70 0.00 0.00 175.22 174.73 3kpr s GLN 50 N 0.84 2.96 6.21 0.44 0.74 -0.31 -1.54 119.66 129.00 3kpr s GLN 50 Ca -0.04 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.07 3kpr s GLN 50 Cb -0.15 -4.09 0.00 0.00 1.10 0.00 0.00 33.01 29.87 3kpr s GLN 50 CO 0.00 -0.98 0.00 0.09 -0.55 0.00 0.00 175.29 173.85 3kpr n ASN 51 N 5.18 0.00 0.07 6.67 5.03 0.13 -1.70 115.26 130.64 3kpr n ASN 51 Ca -0.12 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.46 3kpr n ASN 51 Cb 0.44 0.00 0.38 0.00 -1.02 0.00 0.00 39.78 39.58 3kpr n ASN 51 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3kpr n GLU 52 N 14.00 0.20 -3.12 3.52 0.00 -1.26 -4.51 120.64 129.46 3kpr n GLU 52 Ca 0.00 0.13 -0.40 0.00 0.00 0.00 0.00 57.16 56.89 3kpr n GLU 52 Cb 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 31.44 29.69 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 -3.09 3.49 -0.88 -1.84 0.00 -0.69 -4.53 121.76 114.21 3kpr s ALA 53 Ca 0.10 -0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 3kpr s ALA 53 Cb 0.14 -2.93 0.08 0.00 0.00 0.00 0.00 23.12 20.42 3kpr s ALA 53 CO 0.62 -0.38 1.21 -1.14 0.00 0.00 0.00 175.76 176.08 3kpr s GLN 54 N 1.49 3.45 0.07 0.00 0.74 -1.26 -1.16 119.66 122.99 3kpr s GLN 54 Ca 0.30 -1.20 0.23 0.00 0.05 0.00 0.00 55.36 54.74 3kpr s GLN 54 Cb -0.16 -4.83 0.03 0.00 1.10 0.00 0.00 33.01 29.15 3kpr s GLN 54 CO 0.12 -1.96 1.01 1.28 -0.55 0.00 0.00 175.29 175.19 3kpr n LEU 55 N 7.84 0.61 -3.48 3.68 4.77 -0.97 -4.77 117.00 124.67 3kpr n LEU 55 Ca 0.19 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 3kpr n LEU 55 Cb 0.49 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3kpr n LEU 55 CO 0.60 -0.01 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.86 3kpr s ASP 56 N -4.23 1.12 -0.27 -1.43 2.15 -1.22 -5.01 116.67 107.77 3kpr s ASP 56 Ca 0.02 -0.09 0.10 0.00 0.43 0.00 0.00 52.55 53.02 3kpr s ASP 56 Cb 0.13 0.52 0.46 0.00 -0.30 0.00 0.00 42.92 43.73 3kpr s ASP 56 CO 0.80 -0.31 1.18 2.29 -0.17 0.00 0.00 175.17 178.96 3kpr n LYS 57 N 5.33 3.00 0.26 4.34 2.85 -1.26 0.07 118.16 132.74 3kpr n LYS 57 Ca -0.05 -3.91 0.16 0.00 -1.05 0.00 0.00 58.31 53.46 3kpr n LYS 57 Cb 0.50 -2.04 0.61 0.00 -0.65 0.00 0.00 35.03 33.44 3kpr n LYS 57 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kpr h SER 58 N 2.07 0.00 0.69 -5.58 4.64 -1.95 -3.20 113.55 110.21 3kpr h SER 58 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3kpr h SER 58 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3kpr h SER 58 CO 0.56 0.00 -0.62 0.61 -0.87 0.00 0.00 176.83 176.52 3kpr n GLY 59 N 0.18 -1.34 3.68 -0.77 0.00 -0.40 -4.91 105.19 101.63 3kpr n GLY 59 Ca 0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.74 4.36 0.35 0.99 1.43 -0.95 -4.62 118.68 116.51 3kpr s LEU 60 Ca 0.08 2.44 0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3kpr s LEU 60 Cb 0.15 -3.55 0.65 0.00 0.03 0.00 0.00 46.19 43.46 3kpr s LEU 60 CO 0.72 -0.90 1.78 -0.65 0.23 0.00 0.00 176.35 177.53 3kpr h PRO 61 N 8.75 0.00 -3.28 1.29 0.11 -1.93 -3.45 132.00 133.49 3kpr h PRO 61 Ca -0.42 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3kpr h PRO 61 Cb 1.20 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 3kpr h PRO 61 CO 0.93 0.42 0.06 -1.54 -0.21 0.00 0.00 178.00 177.66 3kpr s SER 62 N -6.92 -0.26 0.00 -2.05 1.04 -1.26 -5.04 113.70 99.21 3kpr s SER 62 Ca -0.02 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 56.01 3kpr s SER 62 Cb 0.14 0.60 0.69 0.00 0.10 0.00 0.00 66.02 67.55 3kpr s SER 62 CO 0.73 -1.10 1.27 -0.90 0.98 0.00 0.00 173.24 174.22 3kpr n ASP 63 N -0.36 0.00 0.21 7.02 5.68 -1.26 -2.18 116.55 125.65 3kpr n ASP 63 Ca -0.09 -1.19 0.07 0.00 -0.50 0.00 0.00 54.79 53.08 3kpr n ASP 63 Cb 0.62 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.05 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 -6.16 0.11 3.08 -1.94 -3.42 114.38 106.05 3kpr h ARG 64 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3kpr h ARG 64 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3kpr h ARG 64 CO 0.00 0.30 0.82 -0.06 -1.07 0.00 0.00 179.97 179.96 3kpr s PHE 65 N -3.88 3.08 -0.15 3.04 0.40 -0.93 -1.63 117.98 117.91 3kpr s PHE 65 Ca -0.01 1.21 -0.01 0.00 -0.60 0.00 0.00 56.93 57.52 3kpr s PHE 65 Cb 0.12 -3.40 0.04 0.00 0.51 0.00 0.00 43.02 40.29 3kpr s PHE 65 CO 0.67 -1.20 -0.03 0.12 0.70 0.00 0.00 175.22 175.47 3kpr s PHE 66 N 3.10 1.42 -0.03 0.36 5.36 0.50 -4.99 117.98 123.70 3kpr s PHE 66 Ca 0.52 -0.88 0.05 0.00 -0.96 0.00 0.00 56.93 55.65 3kpr s PHE 66 Cb -0.20 -1.19 -0.02 0.00 -0.34 0.00 0.00 43.02 41.27 3kpr s PHE 66 CO 0.14 -0.56 -0.18 0.00 -1.46 0.00 0.00 175.22 173.15 3kpr s ALA 67 N 1.73 2.52 0.07 11.12 0.00 -1.26 0.20 121.76 136.13 3kpr s ALA 67 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3kpr s ALA 67 Cb -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3kpr s ALA 67 CO -0.07 0.55 0.08 -1.83 0.00 0.00 0.00 175.76 174.48 3kpr s GLU 68 N -0.75 0.72 -0.45 0.00 -1.05 -0.64 -5.01 118.70 111.52 3kpr s GLU 68 Ca 0.11 -1.10 0.07 0.00 -0.15 0.00 0.00 54.97 53.90 3kpr s GLU 68 Cb -0.10 0.27 0.24 0.00 -0.44 0.00 0.00 34.13 34.10 3kpr s GLU 68 CO 0.00 -0.19 0.71 -2.13 0.95 0.00 0.00 175.26 174.61 3kpr n ARG 69 N 0.03 0.72 -0.31 -4.83 0.63 -1.26 -1.50 116.66 110.14 3kpr n ARG 69 Ca -0.14 -2.41 -0.04 0.00 -0.92 0.00 0.00 57.85 54.34 3kpr n ARG 69 Cb 0.62 -1.37 0.11 0.00 0.45 0.00 0.00 32.46 32.26 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 4.10 1.21 -0.00 -0.14 0.11 -1.85 -2.29 132.00 133.13 3kpr h PRO 70 Ca -0.04 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3kpr h PRO 70 Cb 0.97 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kpr h PRO 70 CO 0.37 0.90 -0.57 -1.91 -0.21 0.00 0.00 178.00 176.58 3kpr n GLU 71 N -4.33 0.01 -0.64 1.05 2.13 -1.26 -4.83 120.64 112.78 3kpr n GLU 71 Ca 0.09 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3kpr n GLU 71 Cb 0.11 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.32 3kpr n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kpr n GLY 72 N 1.50 0.64 0.00 8.31 0.00 -0.86 -4.81 105.19 109.97 3kpr n GLY 72 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.64 0.00 -4.75 1.61 3.41 -1.26 -4.71 113.62 108.56 3kpr n SER 73 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3kpr n SER 73 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3kpr n SER 73 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kpr s VAL 74 N 0.13 2.04 -0.06 -3.33 1.01 -1.26 -4.55 120.40 114.38 3kpr s VAL 74 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3kpr s VAL 74 Cb 0.00 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 3kpr s VAL 74 CO 0.00 0.01 -0.21 -0.55 0.00 0.00 0.00 175.10 174.35 3kpr s SER 75 N 0.57 2.61 -0.17 3.32 0.15 -0.73 -4.32 113.70 115.12 3kpr s SER 75 Ca 0.65 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 3kpr s SER 75 Cb -0.48 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 3kpr s SER 75 CO 0.47 0.17 -0.14 -0.89 1.20 0.00 0.00 173.24 174.04 3kpr s THR 76 N 0.13 2.65 -0.41 6.45 2.01 -0.56 -0.61 115.64 125.30 3kpr s THR 76 Ca -0.09 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 3kpr s THR 76 Cb -0.14 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.26 3kpr s THR 76 CO 0.05 0.50 0.29 -0.22 -0.69 0.00 0.00 174.62 174.55 3kpr s LEU 77 N 1.06 5.09 -0.30 4.42 2.96 0.45 -1.62 118.68 130.73 3kpr s LEU 77 Ca -0.01 -1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 52.76 3kpr s LEU 77 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3kpr s LEU 77 CO -0.04 -0.47 0.32 -0.54 -1.32 0.00 0.00 176.35 174.30 3kpr s LYS 78 N 1.63 3.79 -0.46 1.98 1.02 0.13 -0.89 119.74 126.94 3kpr s LYS 78 Ca 0.04 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 3kpr s LYS 78 Cb -0.20 -3.72 0.07 0.00 -0.52 0.00 0.00 37.83 33.45 3kpr s LYS 78 CO 0.08 -0.36 0.37 0.42 -0.92 0.00 0.00 175.35 174.94 3kpr s ILE 79 N 1.95 5.15 0.33 2.17 1.01 -0.66 -0.37 121.20 130.78 3kpr s ILE 79 Ca 0.11 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.46 3kpr s ILE 79 Cb -0.16 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3kpr s ILE 79 CO 0.11 -0.54 0.96 -1.10 0.00 0.00 0.00 174.94 174.37 3kpr s GLN 80 N 1.63 4.54 -1.02 2.79 -0.21 -0.65 -1.63 119.66 125.11 3kpr s GLN 80 Ca 0.04 1.35 -0.16 0.00 0.02 0.00 0.00 55.36 56.60 3kpr s GLN 80 Cb -0.24 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.02 3kpr s GLN 80 CO 0.07 0.23 0.69 0.54 -2.12 0.00 0.00 175.29 174.70 3kpr n ARG 81 N 0.48 -1.04 -1.64 2.91 1.74 -1.22 -4.80 116.66 113.09 3kpr n ARG 81 Ca 0.02 0.55 -0.43 0.00 -0.77 0.00 0.00 57.85 57.22 3kpr n ARG 81 Cb 0.50 -3.22 -0.01 0.00 -1.02 0.00 0.00 32.46 28.71 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 -3.70 2.12 -4.34 0.55 -2.24 -0.17 -4.38 114.28 102.12 3kpr n THR 82 Ca -0.16 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.86 3kpr n THR 82 Cb 0.61 -1.25 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 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 -1.80 2.10 0.18 -0.78 -1.52 -1.26 -0.47 119.66 116.11 3kpr s GLN 83 Ca 0.59 -1.91 -0.13 0.00 -1.95 0.00 0.00 55.36 51.95 3kpr s GLN 83 Cb -0.61 -1.85 0.14 0.00 -0.22 0.00 0.00 33.01 30.46 3kpr s GLN 83 CO 0.60 -0.04 1.78 0.37 -0.25 0.00 0.00 175.29 177.75 3kpr h GLN 84 N 1.62 0.48 0.00 2.91 5.75 -1.95 -1.99 115.11 121.93 3kpr h GLN 84 Ca -0.43 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3kpr h GLN 84 Cb 1.25 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.69 3kpr h GLN 84 CO 0.73 0.32 0.00 1.05 -2.65 0.00 0.00 178.83 178.28 3kpr h GLU 85 N 0.49 0.00 0.00 1.69 4.11 -1.96 -1.50 114.58 117.41 3kpr h GLU 85 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3kpr h GLU 85 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kpr h GLU 85 CO -0.16 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 178.48 3kpr h ASP 86 N 0.00 0.00 -2.18 3.06 3.32 -1.76 -3.45 116.42 115.41 3kpr h ASP 86 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3kpr h ASP 86 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 3kpr h ASP 86 CO 0.00 0.00 1.10 -1.20 -1.72 0.00 0.00 179.24 177.42 3kpr n SER 87 N -2.52 3.64 0.00 6.45 7.64 -0.56 -4.88 113.62 123.39 3kpr n SER 87 Ca 0.04 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3kpr n SER 87 Cb 0.38 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 6.40 0.00 -2.69 -0.43 0.00 -0.66 -4.80 120.51 118.33 3kpr n ALA 88 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 3kpr n ALA 88 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 5.11 -0.26 0.00 1.01 0.51 -1.40 120.40 123.37 3kpr s VAL 89 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 3kpr s VAL 89 Cb 0.00 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3kpr s VAL 89 CO 0.00 0.32 0.06 -0.31 0.00 0.00 0.00 175.10 175.16 3kpr s TYR 90 N 0.56 3.09 -0.11 5.22 1.51 0.88 0.38 117.35 128.88 3kpr s TYR 90 Ca 0.30 -0.76 -0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3kpr s TYR 90 Cb -0.16 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 3kpr s TYR 90 CO 0.14 -0.49 0.01 -0.51 -1.11 0.00 0.00 175.55 173.58 3kpr s LEU 91 N 1.54 3.59 -0.08 -1.29 1.43 -0.28 -1.76 118.68 121.82 3kpr s LEU 91 Ca 0.05 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3kpr s LEU 91 Cb -0.16 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3kpr s LEU 91 CO 0.02 0.32 -0.13 0.00 0.23 0.00 0.00 176.35 176.79 3kpr s ALA 93 N -0.34 0.65 0.03 0.00 0.00 -0.47 0.19 121.76 121.83 3kpr s ALA 93 Ca 0.03 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.59 3kpr s ALA 93 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3kpr s ALA 93 CO 0.02 0.12 -0.19 -1.54 0.00 0.00 0.00 175.76 174.18 3kpr s SER 94 N -0.58 2.21 0.08 0.00 1.04 -0.54 -0.21 113.70 115.70 3kpr s SER 94 Ca -0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 3kpr s SER 94 Cb -0.05 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 3kpr s SER 94 CO 0.00 0.14 -0.07 -0.94 0.98 0.00 0.00 173.24 173.35 3kpr s SER 95 N -1.02 1.07 0.42 7.02 1.04 -0.91 -1.09 113.70 120.23 3kpr s SER 95 Ca 0.06 -0.84 0.11 0.00 0.48 0.00 0.00 55.95 55.75 3kpr s SER 95 Cb -0.08 0.07 0.95 0.00 0.10 0.00 0.00 66.02 67.06 3kpr s SER 95 CO 0.01 -0.37 2.01 0.25 0.98 0.00 0.00 173.24 176.13 3kpr h LEU 96 N 3.51 0.42 -8.21 2.42 5.85 -1.88 -2.61 115.31 114.81 3kpr h LEU 96 Ca -0.36 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.27 3kpr h LEU 96 Cb 1.18 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3kpr h LEU 96 CO 0.56 0.27 0.04 -0.83 -0.34 0.00 0.00 178.44 178.14 3kpr s GLY 97 N -3.74 0.68 0.52 3.75 0.00 -1.26 -3.81 107.32 103.45 3kpr s GLY 97 Ca -0.08 -0.95 0.25 0.00 0.00 0.00 0.00 44.72 43.95 3kpr s GLY 97 CO 0.74 -0.56 1.96 0.06 0.00 0.00 0.00 173.10 175.31 3kpr h GLN 98 N 2.09 0.05 -0.00 2.90 3.07 -1.96 -2.50 115.11 118.75 3kpr h GLN 98 Ca -0.28 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 3kpr h GLN 98 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.80 3kpr h GLN 98 CO 0.36 0.03 -0.36 0.00 0.09 0.00 0.00 178.83 178.95 3kpr n ALA 99 N -2.64 3.12 -1.69 0.06 0.00 -1.26 -5.02 120.51 113.08 3kpr n ALA 99 Ca 0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 3kpr n ALA 99 Cb 0.67 -0.37 0.16 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.72 1.99 0.16 0.00 1.51 -0.94 -4.96 117.35 113.40 3kpr s TYR 100 Ca 0.06 0.59 -0.31 0.00 -1.01 0.00 0.00 57.07 56.40 3kpr s TYR 100 Cb 0.08 -3.68 -0.09 0.00 -0.11 0.00 0.00 41.96 38.16 3kpr s TYR 100 CO 0.35 -2.56 1.47 -1.83 -1.11 0.00 0.00 175.55 171.88 3kpr s GLU 105 N -5.58 4.27 -0.19 -0.62 -1.05 -1.26 -4.82 118.70 109.45 3kpr s GLU 105 Ca 0.68 2.23 -0.23 0.00 -0.15 0.00 0.00 54.97 57.51 3kpr s GLU 105 Cb -0.09 -3.18 -0.02 0.00 -0.44 0.00 0.00 34.13 30.39 3kpr s GLU 105 CO 0.53 -0.50 0.72 -0.65 0.95 0.00 0.00 175.26 176.31 3kpr s GLN 106 N 0.87 4.25 -0.24 -4.83 -0.21 -1.26 -4.39 119.66 113.84 3kpr s GLN 106 Ca 0.66 0.80 -0.15 0.00 0.02 0.00 0.00 55.36 56.69 3kpr s GLN 106 Cb -0.41 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 29.99 3kpr s GLN 106 CO 0.33 -0.29 0.38 0.71 -2.12 0.00 0.00 175.29 174.29 3kpr s TYR 107 N 2.06 3.30 0.13 0.91 1.51 -0.25 -4.89 117.35 120.12 3kpr s TYR 107 Ca 0.33 0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 56.83 3kpr s TYR 107 Cb -0.16 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.09 3kpr s TYR 107 CO 0.11 -0.13 0.36 -0.06 -1.11 0.00 0.00 175.55 174.72 3kpr s PHE 108 N 1.74 3.48 0.86 2.71 0.40 -1.26 -1.47 117.98 124.45 3kpr s PHE 108 Ca 0.16 0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 56.91 3kpr s PHE 108 Cb -0.15 -1.99 0.14 0.00 0.51 0.00 0.00 43.02 41.53 3kpr s PHE 108 CO 0.09 0.46 1.21 0.20 0.70 0.00 0.00 175.22 177.88 3kpr s GLY 109 N -2.40 1.72 0.21 4.36 0.00 0.13 -4.79 107.32 106.54 3kpr s GLY 109 Ca 0.40 -1.07 0.23 0.00 0.00 0.00 0.00 44.72 44.28 3kpr s GLY 109 CO 0.24 -0.44 1.70 -1.55 0.00 0.00 0.00 173.10 173.05 3kpr n PRO 110 N -3.45 0.17 0.00 2.90 -0.04 -1.26 -4.73 135.00 128.59 3kpr n PRO 110 Ca 0.12 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3kpr n PRO 110 Cb 0.60 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3kpr n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kpr n GLY 111 N 0.29 0.36 3.30 0.55 0.00 -1.26 -4.99 105.19 103.44 3kpr n GLY 111 Ca 0.03 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.49 3.26 -0.46 2.61 2.01 -0.72 -4.64 115.64 115.20 3kpr s THR 112 Ca 0.00 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 3kpr s THR 112 Cb 0.00 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 70.08 3kpr s THR 112 CO 0.00 0.44 0.59 -0.60 -0.69 0.00 0.00 174.62 174.36 3kpr s ARG 113 N 1.41 3.18 -0.18 4.92 3.52 -0.14 -0.08 118.95 131.58 3kpr s ARG 113 Ca 0.05 -0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 3kpr s ARG 113 Cb -0.14 -4.01 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 3kpr s ARG 113 CO -0.04 -1.06 0.20 -1.17 -0.81 0.00 0.00 175.30 172.42 3kpr s LEU 114 N 2.60 4.23 -0.17 -0.88 2.96 -0.49 -1.01 118.68 125.93 3kpr s LEU 114 Ca 0.17 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3kpr s LEU 114 Cb -0.17 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3kpr s LEU 114 CO 0.15 0.16 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.25 3kpr s THR 115 N 0.35 1.99 -0.25 3.68 2.01 -0.05 -1.66 115.64 121.71 3kpr s THR 115 Ca 0.12 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 3kpr s THR 115 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3kpr s THR 115 CO 0.01 0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 3kpr s VAL 116 N 1.23 4.97 0.10 3.82 1.01 -1.26 -0.91 120.40 129.35 3kpr s VAL 116 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3kpr s VAL 116 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3kpr s VAL 116 CO -0.11 0.33 -0.04 0.28 0.00 0.00 0.00 175.10 175.56 3kpr s THR 117 N 1.35 3.74 0.22 3.92 -1.32 0.13 -4.67 115.64 119.01 3kpr s THR 117 Ca 0.06 -1.11 -0.09 0.00 -1.21 0.00 0.00 61.69 59.34 3kpr s THR 117 Cb -0.15 -2.77 0.19 0.00 -1.51 0.00 0.00 72.50 68.26 3kpr s THR 117 CO 0.06 0.12 1.88 -0.08 -2.21 0.00 0.00 174.62 174.38 3kpr h GLU 118 N 3.51 1.12 -2.85 7.08 4.57 -1.96 0.12 114.58 126.18 3kpr h GLU 118 Ca -0.48 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 57.47 3kpr h GLU 118 Cb 1.17 -0.24 -0.25 0.00 -0.16 0.00 0.00 28.75 29.27 3kpr h GLU 118 CO 0.56 0.77 -0.29 0.34 -1.18 0.00 0.00 179.01 179.21 3kpr s ASP 119 N -6.03 -0.38 0.00 1.04 -1.08 -1.26 -4.39 116.67 104.57 3kpr s ASP 119 Ca -0.13 0.73 0.18 0.00 -0.52 0.00 0.00 52.55 52.82 3kpr s ASP 119 Cb 0.16 0.74 1.03 0.00 -1.46 0.00 0.00 42.92 43.39 3kpr s ASP 119 CO 0.80 -0.13 1.52 0.18 0.52 0.00 0.00 175.17 178.06 3kpr n LEU 120 N 2.96 0.00 0.25 -1.34 4.77 -1.26 -3.67 117.00 118.71 3kpr n LEU 120 Ca -0.14 0.11 0.17 0.00 -0.03 0.00 0.00 56.01 56.13 3kpr n LEU 120 Cb 0.57 -0.11 0.78 0.00 -2.33 0.00 0.00 43.42 42.33 3kpr n LEU 120 CO 0.14 -0.05 1.00 0.07 -1.33 0.00 0.00 177.39 177.22 3kpr h LYS 121 N 0.00 0.00 -0.51 3.23 2.10 -1.99 -2.69 116.57 116.70 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 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3kpr h LYS 121 CO 0.00 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.72 3kpr n ASN 122 N -2.82 3.50 -4.67 7.07 0.23 -1.24 -4.92 115.26 112.41 3kpr n ASN 122 Ca -0.00 -1.98 -0.43 0.00 -0.53 0.00 0.00 54.58 51.64 3kpr n ASN 122 Cb 0.20 -0.34 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 3kpr n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kpr s VAL 123 N -1.33 4.67 -0.03 3.53 1.01 -1.02 -4.64 120.40 122.59 3kpr s VAL 123 Ca 0.42 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.41 3kpr s VAL 123 Cb 0.23 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3kpr s VAL 123 CO 0.32 -0.13 -0.08 -0.36 0.00 0.00 0.00 175.10 174.85 3kpr s PHE 124 N 2.89 0.86 0.68 5.22 0.08 0.55 -4.73 117.98 123.52 3kpr s PHE 124 Ca 0.46 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 3kpr s PHE 124 Cb -0.16 -0.63 -0.00 0.00 -0.57 0.00 0.00 43.02 41.65 3kpr s PHE 124 CO 0.10 -0.10 1.05 -1.25 -0.10 0.00 0.00 175.22 174.92 3kpr s PRO 125 N 0.25 3.10 0.70 0.24 0.04 -1.26 -0.88 135.00 137.19 3kpr s PRO 125 Ca -0.04 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 3kpr s PRO 125 Cb -0.09 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3kpr s PRO 125 CO 0.00 -0.97 1.07 -1.25 0.04 0.00 0.00 177.00 175.90 3kpr s PRO 126 N -5.09 2.90 -0.13 0.56 0.04 -1.26 -4.22 135.00 127.80 3kpr s PRO 126 Ca 0.57 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 3kpr s PRO 126 Cb -0.13 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3kpr s PRO 126 CO 0.55 -1.05 -0.03 -1.21 0.04 0.00 0.00 177.00 175.31 3kpr s GLU 127 N -5.22 3.45 -0.10 4.56 2.02 0.24 -4.92 118.70 118.73 3kpr s GLU 127 Ca 0.58 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.10 3kpr s GLU 127 Cb -0.12 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 3kpr s GLU 127 CO 0.53 0.39 -0.14 0.08 0.02 0.00 0.00 175.26 176.14 3kpr s VAL 128 N -0.03 3.01 0.01 2.63 1.01 -1.26 -1.44 120.40 124.33 3kpr s VAL 128 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3kpr s VAL 128 Cb -0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3kpr s VAL 128 CO 0.02 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.60 3kpr s ALA 129 N -0.09 0.65 -0.12 5.51 0.00 -0.61 -4.59 121.76 122.50 3kpr s ALA 129 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3kpr s ALA 129 Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3kpr s ALA 129 CO 0.04 0.12 0.00 0.08 0.00 0.00 0.00 175.76 175.99 3kpr s VAL 130 N -0.50 4.27 -0.18 0.00 1.01 -1.26 -0.80 120.40 122.94 3kpr s VAL 130 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3kpr s VAL 130 Cb -0.05 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3kpr s VAL 130 CO 0.00 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.22 3kpr s PHE 131 N -0.30 2.92 0.40 5.22 0.40 0.15 -5.00 117.98 121.78 3kpr s PHE 131 Ca 0.06 -0.77 -0.24 0.00 -0.60 0.00 0.00 56.93 55.39 3kpr s PHE 131 Cb -0.12 -2.00 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 3kpr s PHE 131 CO 0.02 -0.38 1.05 -1.21 0.70 0.00 0.00 175.22 175.41 3kpr s GLU 132 N 0.97 4.15 0.63 0.44 2.02 -1.26 -2.09 118.70 123.57 3kpr s GLU 132 Ca -0.01 1.52 -0.18 0.00 0.02 0.00 0.00 54.97 56.32 3kpr s GLU 132 Cb -0.15 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 3kpr s GLU 132 CO 0.00 -0.15 1.03 -2.30 0.02 0.00 0.00 175.26 173.85 3kpr n PRO 133 N -0.09 0.87 -2.47 0.39 -0.02 -1.25 -4.90 135.00 127.54 3kpr n PRO 133 Ca 0.05 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3kpr n PRO 133 Cb 0.50 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 3kpr n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kpr s SER 134 N -1.34 7.23 0.32 2.55 0.15 -1.26 -4.95 113.70 116.40 3kpr s SER 134 Ca 0.78 2.19 0.02 0.00 0.70 0.00 0.00 55.95 59.65 3kpr s SER 134 Cb -0.40 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 61.83 3kpr s SER 134 CO 0.45 -0.22 1.85 -0.08 1.20 0.00 0.00 173.24 176.45 3kpr h GLU 135 N 4.59 0.62 -0.35 5.44 4.57 -1.99 -2.63 114.58 124.84 3kpr h GLU 135 Ca -0.45 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 57.49 3kpr h GLU 135 Cb 1.21 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 3kpr h GLU 135 CO 0.70 0.62 -0.21 0.00 -1.18 0.00 0.00 179.01 178.95 3kpr h ALA 136 N 1.44 0.99 -0.21 2.92 0.00 -1.99 -2.56 119.26 119.85 3kpr h ALA 136 Ca 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kpr h ALA 136 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kpr h ALA 136 CO 0.01 0.60 0.07 1.49 0.00 0.00 0.00 179.25 181.41 3kpr h GLU 137 N 0.59 0.32 -0.97 0.00 4.81 -1.80 -0.55 114.58 116.97 3kpr h GLU 137 Ca 0.09 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3kpr h GLU 137 Cb 0.67 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3kpr h GLU 137 CO 0.05 0.41 0.64 0.82 -0.73 0.00 0.00 179.01 180.20 3kpr h ILE 138 N 0.17 1.16 -0.14 2.32 2.04 -1.43 0.20 117.51 121.83 3kpr h ILE 138 Ca 0.07 -0.42 -0.19 0.00 1.00 0.00 0.00 64.86 65.32 3kpr h ILE 138 Cb 0.22 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3kpr h ILE 138 CO -0.00 0.22 -0.70 0.28 0.00 0.00 0.00 178.15 177.95 3kpr h SER 139 N 1.22 0.69 0.62 1.72 0.02 -1.33 -2.02 113.55 114.46 3kpr h SER 139 Ca 0.39 -0.43 -0.27 0.00 -0.84 0.00 0.00 61.79 60.64 3kpr h SER 139 Cb 0.02 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3kpr h SER 139 CO -0.12 1.19 -1.47 -0.74 -1.14 0.00 0.00 176.83 174.54 3kpr h HIS 140 N 0.42 0.12 0.00 3.45 -0.00 -0.61 -3.41 115.15 115.12 3kpr h HIS 140 Ca -0.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.25 3kpr h HIS 140 Cb 1.28 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3kpr h HIS 140 CO 0.06 1.12 -1.02 0.25 -0.00 0.00 0.00 177.93 178.34 3kpr n THR 141 N -3.24 0.00 -1.16 6.26 -2.24 0.66 -5.00 114.28 109.56 3kpr n THR 141 Ca -0.12 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 3kpr n THR 141 Cb 1.02 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.57 -0.86 -4.40 -0.78 1.13 -0.76 -5.02 117.38 105.11 3kpr n GLN 142 Ca -0.00 0.59 -0.25 0.00 -1.94 0.00 0.00 57.00 55.40 3kpr n GLN 142 Cb 0.07 -4.44 -0.09 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 -2.02 1.99 -0.11 -1.09 1.02 -1.26 -0.83 119.74 117.44 3kpr s LYS 143 Ca 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 55.97 54.17 3kpr s LYS 143 Cb 0.00 -1.87 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 3kpr s LYS 143 CO 0.00 0.16 0.07 0.00 -0.92 0.00 0.00 175.35 174.66 3kpr s ALA 144 N -2.53 0.37 -0.26 5.17 0.00 0.90 -3.19 121.76 122.21 3kpr s ALA 144 Ca 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 3kpr s ALA 144 Cb -0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3kpr s ALA 144 CO 0.18 -0.84 0.13 0.99 0.00 0.00 0.00 175.76 176.22 3kpr s THR 145 N 2.14 4.86 -0.05 0.00 2.01 -1.26 -0.79 115.64 122.56 3kpr s THR 145 Ca 0.03 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 3kpr s THR 145 Cb -0.14 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3kpr s THR 145 CO -0.06 0.30 0.32 -0.76 -0.69 0.00 0.00 174.62 173.74 3kpr s LEU 146 N 1.59 4.43 -0.14 4.42 1.02 0.18 -3.75 118.68 126.43 3kpr s LEU 146 Ca 0.07 0.79 -0.00 0.00 0.02 0.00 0.00 54.13 55.01 3kpr s LEU 146 Cb -0.15 -2.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.62 3kpr s LEU 146 CO 0.07 0.33 -0.14 -0.69 0.02 0.00 0.00 176.35 175.94 3kpr s VAL 147 N -0.94 2.89 -0.03 -1.59 1.01 -0.89 -0.81 120.40 120.04 3kpr s VAL 147 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3kpr s VAL 147 Cb -0.15 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3kpr s VAL 147 CO 0.10 0.52 0.12 0.00 0.00 0.00 0.00 175.10 175.84 3kpr s LEU 149 N -1.62 0.88 -0.28 0.00 2.96 0.02 -1.57 118.68 119.07 3kpr s LEU 149 Ca 0.22 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 3kpr s LEU 149 Cb -0.12 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.04 3kpr s LEU 149 CO 0.13 -0.22 0.01 0.00 -1.32 0.00 0.00 176.35 174.96 3kpr s ALA 150 N 1.89 2.88 0.25 5.97 0.00 0.32 -1.58 121.76 131.49 3kpr s ALA 150 Ca 0.03 -1.55 0.09 0.00 0.00 0.00 0.00 51.96 50.53 3kpr s ALA 150 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3kpr s ALA 150 CO -0.07 -1.00 -0.14 0.95 0.00 0.00 0.00 175.76 175.51 3kpr s THR 151 N 1.38 1.94 -0.79 0.00 -4.23 -0.52 0.40 115.64 113.81 3kpr s THR 151 Ca -0.00 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 3kpr s THR 151 Cb -0.18 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3kpr s THR 151 CO -0.01 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3kpr n GLY 152 N -0.50 0.87 3.87 3.99 0.00 -0.15 -0.59 105.19 112.68 3kpr n GLY 152 Ca -0.07 -0.69 -0.36 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 -2.29 3.55 -0.14 1.61 -0.71 -1.01 -4.50 117.98 114.48 3kpr s PHE 153 Ca 0.00 0.45 -0.10 0.00 -1.04 0.00 0.00 56.93 56.24 3kpr s PHE 153 Cb 0.00 -1.90 0.04 0.00 -1.21 0.00 0.00 43.02 39.96 3kpr s PHE 153 CO 0.00 0.69 0.36 -0.47 -1.34 0.00 0.00 175.22 174.46 3kpr s TYR 154 N -1.10 -0.45 0.36 3.49 5.04 -0.06 0.17 117.35 124.80 3kpr s TYR 154 Ca 0.18 1.04 -0.06 0.00 -2.44 0.00 0.00 57.07 55.79 3kpr s TYR 154 Cb -0.12 0.16 0.08 0.00 0.35 0.00 0.00 41.96 42.44 3kpr s TYR 154 CO 0.08 -0.25 0.47 -0.35 -1.34 0.00 0.00 175.55 174.17 3kpr n PRO 155 N 3.55 -0.54 -1.92 4.97 -0.04 -1.26 -0.33 135.00 139.42 3kpr n PRO 155 Ca -0.18 -0.73 -0.37 0.00 -0.04 0.00 0.00 63.50 62.17 3kpr n PRO 155 Cb 0.56 -0.50 -0.04 0.00 -0.04 0.00 0.00 33.50 33.48 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 -3.33 3.44 -2.97 3.54 2.03 -1.26 -4.70 116.55 113.30 3kpr n ASP 156 Ca 0.06 -2.76 -0.20 0.00 0.52 0.00 0.00 54.79 52.41 3kpr n ASP 156 Cb 0.21 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.01 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 10.45 1.70 -3.87 -0.67 8.25 -1.26 -5.09 115.22 124.74 3kpr n HIS 157 Ca 0.48 -3.64 -0.18 0.00 -0.26 0.00 0.00 57.72 54.11 3kpr n HIS 157 Cb 0.44 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 3kpr n HIS 157 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3kpr n VAL 158 N 0.01 0.00 -3.22 1.59 0.24 -1.26 -2.45 118.33 113.24 3kpr n VAL 158 Ca 0.25 -1.47 0.03 0.00 -2.04 0.00 0.00 64.34 61.11 3kpr n VAL 158 Cb 0.61 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 3kpr n VAL 158 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kpr s GLU 159 N -3.46 0.52 -0.03 7.34 2.02 -0.87 -4.93 118.70 119.30 3kpr s GLU 159 Ca 0.18 0.99 -0.05 0.00 0.02 0.00 0.00 54.97 56.11 3kpr s GLU 159 Cb -0.01 0.56 -0.04 0.00 0.10 0.00 0.00 34.13 34.73 3kpr s GLU 159 CO 0.11 -0.51 0.19 -1.17 0.02 0.00 0.00 175.26 173.91 3kpr s LEU 160 N 2.86 4.38 -0.00 1.80 0.20 -1.26 -0.61 118.68 126.05 3kpr s LEU 160 Ca 0.14 0.43 -0.05 0.00 0.69 0.00 0.00 54.13 55.34 3kpr s LEU 160 Cb -0.14 -2.49 -0.00 0.00 -0.43 0.00 0.00 46.19 43.13 3kpr s LEU 160 CO -0.20 0.30 0.10 -0.94 -0.29 0.00 0.00 176.35 175.33 3kpr s SER 161 N -1.65 0.03 -0.18 3.68 1.04 0.15 -4.99 113.70 111.77 3kpr s SER 161 Ca 0.24 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 3kpr s SER 161 Cb -0.13 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3kpr s SER 161 CO 0.14 -0.29 0.04 0.26 0.98 0.00 0.00 173.24 174.38 3kpr s TRP 162 N -1.09 3.18 -0.15 5.02 0.52 -1.26 -0.37 118.94 124.78 3kpr s TRP 162 Ca -0.12 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3kpr s TRP 162 Cb -0.07 -2.07 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 3kpr s TRP 162 CO 0.01 0.06 -0.21 -1.58 0.02 0.00 0.00 176.95 175.25 3kpr s TRP 163 N 0.49 2.71 -0.21 -1.98 0.52 0.82 -1.61 118.94 119.68 3kpr s TRP 163 Ca 0.02 -1.41 -0.03 0.00 0.02 0.00 0.00 56.10 54.69 3kpr s TRP 163 Cb -0.13 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3kpr s TRP 163 CO 0.01 -0.66 -0.05 0.08 0.02 0.00 0.00 176.95 176.35 3kpr s VAL 164 N 0.96 3.31 -1.61 4.03 1.01 0.99 -0.88 120.40 128.20 3kpr s VAL 164 Ca -0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3kpr s VAL 164 Cb -0.15 -2.49 0.12 0.00 0.00 0.00 0.00 36.38 33.86 3kpr s VAL 164 CO -0.05 0.44 0.87 0.59 0.00 0.00 0.00 175.10 176.95 3kpr n ASN 165 N 4.67 -3.89 0.00 3.32 3.02 -0.32 -1.64 115.26 120.42 3kpr n ASN 165 Ca -0.18 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3kpr n ASN 165 Cb 0.51 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 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 -1.56 0.78 3.32 7.41 0.00 -1.26 -5.04 105.19 108.84 3kpr n GLY 166 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3kpr n GLY 166 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kpr s LYS 167 N -0.15 2.05 0.27 1.61 2.20 -0.65 -5.09 119.74 119.99 3kpr s LYS 167 Ca 0.00 -0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 54.35 3kpr s LYS 167 Cb 0.00 -2.03 -0.09 0.00 -1.51 0.00 0.00 37.83 34.19 3kpr s LYS 167 CO 0.00 0.55 1.10 -2.00 -0.36 0.00 0.00 175.35 174.64 3kpr s GLU 168 N -0.73 4.63 0.02 4.03 2.12 -1.26 -0.01 118.70 127.50 3kpr s GLU 168 Ca 0.10 1.80 0.09 0.00 0.36 0.00 0.00 54.97 57.32 3kpr s GLU 168 Cb -0.10 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 3kpr s GLU 168 CO -0.00 0.20 -0.26 0.14 -0.54 0.00 0.00 175.26 174.79 3kpr s VAL 169 N -1.08 2.08 -0.02 3.70 -7.23 -0.63 -4.89 120.40 112.32 3kpr s VAL 169 Ca 0.45 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 3kpr s VAL 169 Cb -0.32 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3kpr s VAL 169 CO 0.41 0.44 0.01 1.41 -0.31 0.00 0.00 175.10 177.05 3kpr n HIS 170 N 2.03 0.00 -1.99 2.82 8.25 -1.26 -4.56 115.22 120.51 3kpr n HIS 170 Ca -0.17 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.91 3kpr n HIS 170 Cb 0.52 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.52 3kpr n HIS 170 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3kpr s SER 171 N -3.22 6.01 -0.41 0.41 0.01 -1.26 -3.28 113.70 111.96 3kpr s SER 171 Ca -0.01 2.67 0.00 0.00 1.31 0.00 0.00 55.95 59.91 3kpr s SER 171 Cb 0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3kpr s SER 171 CO 0.10 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.30 3kpr n GLY 172 N 0.63 0.59 3.65 3.44 0.00 -1.26 -4.84 105.19 107.40 3kpr n GLY 172 Ca 0.06 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.82 4.33 -0.06 1.61 1.01 -1.21 -0.46 120.40 123.80 3kpr s VAL 173 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3kpr s VAL 173 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3kpr s VAL 173 CO 0.00 0.57 0.10 -0.55 0.00 0.00 0.00 175.10 175.22 3kpr s SER 174 N -0.52 1.02 -0.10 3.32 0.15 0.13 -4.98 113.70 112.73 3kpr s SER 174 Ca 0.09 0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.94 3kpr s SER 174 Cb -0.12 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3kpr s SER 174 CO 0.02 -0.25 -0.22 -0.89 1.20 0.00 0.00 173.24 173.10 3kpr s THR 175 N 2.22 1.92 -0.02 6.45 2.01 -1.26 0.34 115.64 127.30 3kpr s THR 175 Ca 0.04 -0.94 -0.38 0.00 0.31 0.00 0.00 61.69 60.72 3kpr s THR 175 Cb -0.12 -1.67 -0.17 0.00 0.01 0.00 0.00 72.50 70.55 3kpr s THR 175 CO -0.04 0.53 1.44 0.47 -0.69 0.00 0.00 174.62 176.32 3kpr n ASP 176 N 3.57 1.75 0.19 3.53 8.00 -0.83 -4.86 116.55 127.90 3kpr n ASP 176 Ca -0.20 1.11 0.05 0.00 0.71 0.00 0.00 54.79 56.47 3kpr n ASP 176 Cb 0.53 -1.16 0.38 0.00 -0.02 0.00 0.00 41.12 40.84 3kpr n ASP 176 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3kpr h PRO 177 N 5.18 0.00 -5.99 -0.24 0.13 -1.98 -3.44 132.00 125.66 3kpr h PRO 177 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 3kpr h PRO 177 Cb 1.34 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.21 3kpr h PRO 177 CO 0.82 0.36 -0.84 -0.65 -0.23 0.00 0.00 178.00 177.47 3kpr s GLN 178 N -3.79 1.33 0.58 0.86 -1.52 -1.26 -5.15 119.66 110.71 3kpr s GLN 178 Ca -0.01 -0.92 -0.09 0.00 -1.95 0.00 0.00 55.36 52.39 3kpr s GLN 178 Cb 0.12 -1.43 -0.04 0.00 -0.22 0.00 0.00 33.01 31.44 3kpr s GLN 178 CO 0.69 0.36 0.96 -1.25 -0.25 0.00 0.00 175.29 175.80 3kpr s PRO 179 N -1.17 3.59 0.02 2.91 0.04 -1.26 -4.93 135.00 134.20 3kpr s PRO 179 Ca 0.07 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 3kpr s PRO 179 Cb -0.09 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3kpr s PRO 179 CO 0.02 -0.46 0.57 -0.51 0.04 0.00 0.00 177.00 176.66 3kpr s LEU 180 N -5.02 4.46 -0.23 -3.56 1.02 0.46 -4.92 118.68 110.88 3kpr s LEU 180 Ca 0.53 1.18 -0.28 0.00 0.02 0.00 0.00 54.13 55.57 3kpr s LEU 180 Cb -0.11 -2.88 0.01 0.00 0.02 0.00 0.00 46.19 43.22 3kpr s LEU 180 CO 0.51 0.18 0.99 -0.54 0.02 0.00 0.00 176.35 177.51 3kpr s LYS 181 N -0.57 4.24 0.23 1.70 1.02 -1.26 -0.56 119.74 124.54 3kpr s LYS 181 Ca 0.30 1.27 -0.04 0.00 0.02 0.00 0.00 55.97 57.52 3kpr s LYS 181 Cb -0.19 -3.64 0.24 0.00 -0.52 0.00 0.00 37.83 33.72 3kpr s LYS 181 CO 0.17 -0.61 1.68 0.93 -0.92 0.00 0.00 175.35 176.61 3kpr h GLU 182 N 7.50 0.79 -3.11 1.68 5.08 -1.52 -3.34 114.58 121.67 3kpr h GLU 182 Ca -0.20 -0.27 -0.63 0.00 -1.00 0.00 0.00 59.36 57.26 3kpr h GLU 182 Cb 1.07 -0.06 -0.41 0.00 0.50 0.00 0.00 28.75 29.84 3kpr h GLU 182 CO 0.96 0.88 -0.53 -0.65 -1.00 0.00 0.00 179.01 178.67 3kpr s GLN 183 N -4.76 2.54 -0.77 2.33 -1.52 -1.26 -5.01 119.66 111.21 3kpr s GLN 183 Ca -0.09 -3.34 -0.09 0.00 -1.95 0.00 0.00 55.36 49.88 3kpr s GLN 183 Cb 0.14 -3.48 -0.08 0.00 -0.22 0.00 0.00 33.01 29.37 3kpr s GLN 183 CO 0.83 -1.28 1.94 -2.30 -0.25 0.00 0.00 175.29 174.22 3kpr n PRO 184 N 2.01 1.68 0.00 2.91 -0.02 -1.25 -1.78 135.00 138.55 3kpr n PRO 184 Ca 0.20 -1.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 3kpr n PRO 184 Cb 0.35 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3kpr n PRO 184 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kpr n ALA 185 N 5.17 0.38 -2.71 3.55 0.00 -1.26 -5.11 120.51 120.53 3kpr n ALA 185 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 3kpr n ALA 185 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 3kpr n ALA 185 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kpr s LEU 186 N -2.53 4.28 0.36 0.00 1.43 -0.73 -4.99 118.68 116.50 3kpr s LEU 186 Ca 0.00 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3kpr s LEU 186 Cb 0.00 -2.42 0.70 0.00 0.03 0.00 0.00 46.19 44.50 3kpr s LEU 186 CO 0.00 0.13 1.98 0.78 0.23 0.00 0.00 176.35 179.48 3kpr h ASN 187 N 6.34 0.68 -1.05 2.29 -0.26 -2.00 -2.41 115.58 119.18 3kpr h ASN 187 Ca -0.43 -0.01 -0.66 0.00 -0.56 0.00 0.00 56.30 54.65 3kpr h ASN 187 Cb 1.18 -0.16 -0.32 0.00 -1.06 0.00 0.00 38.32 37.96 3kpr h ASN 187 CO 0.73 0.47 0.46 -0.90 -1.06 0.00 0.00 177.43 177.13 3kpr n ASP 188 N -4.46 6.98 -4.77 5.81 5.68 -1.26 -5.03 116.55 119.49 3kpr n ASP 188 Ca 0.09 -3.78 -0.41 0.00 -0.50 0.00 0.00 54.79 50.18 3kpr n ASP 188 Cb 0.14 -0.83 -0.01 0.00 -1.14 0.00 0.00 41.12 39.29 3kpr n ASP 188 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kpr s SER 189 N -2.22 6.40 0.56 -1.12 0.15 -0.91 -4.99 113.70 111.58 3kpr s SER 189 Ca 0.60 2.97 -0.18 0.00 0.70 0.00 0.00 55.95 60.05 3kpr s SER 189 Cb 0.48 -2.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 3kpr s SER 189 CO -0.04 -0.85 1.10 -0.13 1.20 0.00 0.00 173.24 174.52 3kpr s ARG 190 N -1.56 3.31 0.17 5.44 0.52 -1.26 -4.85 118.95 120.71 3kpr s ARG 190 Ca 0.55 1.46 0.06 0.00 -0.52 0.00 0.00 55.73 57.28 3kpr s ARG 190 Cb -0.46 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 3kpr s ARG 190 CO 0.57 -0.86 0.11 0.71 0.02 0.00 0.00 175.30 175.86 3kpr s TYR 191 N -2.02 3.09 0.01 -0.53 2.02 0.13 -1.28 117.35 118.75 3kpr s TYR 191 Ca 0.69 -0.04 0.06 0.00 -0.37 0.00 0.00 57.07 57.41 3kpr s TYR 191 Cb -0.21 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3kpr s TYR 191 CO 0.30 0.52 -0.17 0.00 -1.57 0.00 0.00 175.55 174.63 3kpr s ALA 192 N -1.76 1.44 0.01 3.71 0.00 0.28 -0.98 121.76 124.46 3kpr s ALA 192 Ca 0.30 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3kpr s ALA 192 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3kpr s ALA 192 CO 0.22 0.33 0.01 -1.17 0.00 0.00 0.00 175.76 175.15 3kpr s LEU 193 N -0.72 2.04 0.06 0.00 2.96 0.16 -0.40 118.68 122.78 3kpr s LEU 193 Ca 0.06 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3kpr s LEU 193 Cb -0.07 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 3kpr s LEU 193 CO 0.00 -0.18 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.13 3kpr s SER 194 N -0.80 2.16 0.02 3.68 0.15 -1.26 -0.52 113.70 117.13 3kpr s SER 194 Ca -0.09 -0.56 -0.07 0.00 0.70 0.00 0.00 55.95 55.94 3kpr s SER 194 Cb -0.05 -0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.11 3kpr s SER 194 CO -0.00 0.07 0.13 -0.55 1.20 0.00 0.00 173.24 174.08 3kpr s SER 195 N -1.43 0.08 -0.08 5.45 0.15 -0.61 -1.97 113.70 115.30 3kpr s SER 195 Ca 0.04 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.41 3kpr s SER 195 Cb -0.09 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3kpr s SER 195 CO 0.02 -0.43 -0.20 -0.13 1.20 0.00 0.00 173.24 173.70 3kpr s ARG 196 N -1.86 2.46 -0.22 5.44 0.52 0.15 -0.40 118.95 125.04 3kpr s ARG 196 Ca -0.11 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3kpr s ARG 196 Cb -0.05 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.49 3kpr s ARG 196 CO -0.01 0.18 -0.12 -1.17 0.02 0.00 0.00 175.30 174.20 3kpr s LEU 197 N 0.29 2.82 -0.19 2.53 2.96 0.01 -0.69 118.68 126.40 3kpr s LEU 197 Ca -0.13 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 52.89 3kpr s LEU 197 Cb -0.16 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3kpr s LEU 197 CO 0.06 -0.09 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.31 3kpr s ARG 198 N 1.27 3.32 0.36 1.98 3.52 0.40 0.47 118.95 130.28 3kpr s ARG 198 Ca 0.00 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 3kpr s ARG 198 Cb -0.16 -2.84 -0.07 0.00 -1.56 0.00 0.00 34.95 30.32 3kpr s ARG 198 CO -0.08 -0.08 0.01 0.14 -0.81 0.00 0.00 175.30 174.48 3kpr s VAL 199 N 1.13 1.71 0.43 7.11 -7.23 0.03 -4.54 120.40 119.04 3kpr s VAL 199 Ca 0.01 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 3kpr s VAL 199 Cb -0.14 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 3kpr s VAL 199 CO -0.02 -0.05 1.06 -0.94 -0.31 0.00 0.00 175.10 174.83 3kpr s SER 200 N -3.60 6.57 0.25 4.85 1.04 -1.26 -0.07 113.70 121.48 3kpr s SER 200 Ca 0.35 2.02 -0.05 0.00 0.48 0.00 0.00 55.95 58.75 3kpr s SER 200 Cb 0.08 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 64.12 3kpr s SER 200 CO 0.16 -0.62 1.65 0.00 0.98 0.00 0.00 173.24 175.41 3kpr h ALA 201 N 2.15 0.91 -0.48 5.32 0.00 -1.26 -2.02 119.26 123.88 3kpr h ALA 201 Ca -0.49 0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.78 3kpr h ALA 201 Cb 1.22 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3kpr h ALA 201 CO 0.61 -0.41 0.37 1.79 0.00 0.00 0.00 179.25 181.61 3kpr h THR 202 N 0.16 0.68 -0.14 0.00 1.35 -1.93 0.21 112.91 113.24 3kpr h THR 202 Ca 0.44 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 66.15 3kpr h THR 202 Cb 0.79 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3kpr h THR 202 CO -0.62 0.00 -0.53 -0.26 -0.25 0.00 0.00 175.52 173.86 3kpr h PHE 203 N 0.00 0.51 0.02 4.73 0.04 -1.75 -2.75 116.94 117.74 3kpr h PHE 203 Ca 0.23 -0.18 -0.24 0.00 2.80 0.00 0.00 57.97 60.58 3kpr h PHE 203 Cb 0.96 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 3kpr h PHE 203 CO 0.00 0.86 -1.22 2.35 -0.60 0.00 0.00 178.31 179.70 3kpr h TRP 204 N 0.32 0.06 0.00 -0.55 2.91 -1.29 -3.33 115.95 114.08 3kpr h TRP 204 Ca 0.01 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.98 3kpr h TRP 204 Cb 1.04 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 3kpr h TRP 204 CO 0.03 1.05 0.00 1.04 -1.03 0.00 0.00 178.44 179.53 3kpr n GLN 205 N -3.30 0.93 -3.60 2.65 6.02 0.59 -1.29 117.38 119.38 3kpr n GLN 205 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 3kpr n GLN 205 Cb 0.98 -1.02 -0.11 0.00 1.02 0.00 0.00 30.24 31.10 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 -1.11 5.73 0.40 1.08 3.04 -1.05 -4.33 114.94 118.70 3kpr s ASN 206 Ca 0.02 -0.87 0.25 0.00 0.04 0.00 0.00 52.86 52.30 3kpr s ASN 206 Cb 0.01 -2.03 1.34 0.00 -1.54 0.00 0.00 41.25 39.02 3kpr s ASN 206 CO 0.02 -0.34 1.73 1.55 -3.04 0.00 0.00 177.10 177.02 3kpr h PRO 207 N 8.43 0.00 -0.00 0.43 0.13 -1.81 -1.45 132.00 137.73 3kpr h PRO 207 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3kpr h PRO 207 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kpr h PRO 207 CO 0.66 0.00 -0.61 0.54 -0.23 0.00 0.00 178.00 178.36 3kpr n ARG 208 N -2.40 0.10 -2.64 0.86 1.74 -1.26 -4.23 116.66 108.84 3kpr n ARG 208 Ca -0.02 -0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 3kpr n ARG 208 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.95 7.38 -0.20 0.55 0.01 -0.55 -4.91 114.94 114.28 3kpr s ASN 209 Ca 0.11 1.88 -0.01 0.00 -0.71 0.00 0.00 52.86 54.13 3kpr s ASN 209 Cb 0.17 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.25 3kpr s ASN 209 CO 0.73 -0.17 -0.12 -2.28 -1.51 0.00 0.00 177.10 173.75 3kpr s HIS 210 N 0.17 2.87 -0.11 2.20 5.65 -1.26 -0.42 115.29 124.38 3kpr s HIS 210 Ca 0.49 -1.24 0.00 0.00 0.25 0.00 0.00 55.06 54.56 3kpr s HIS 210 Cb -0.25 -2.01 -0.02 0.00 -1.18 0.00 0.00 32.58 29.12 3kpr s HIS 210 CO 0.31 -0.65 -0.12 -0.06 -0.65 0.00 0.00 174.74 173.56 3kpr s PHE 211 N 1.34 2.81 -0.03 3.88 0.40 0.42 -1.17 117.98 125.63 3kpr s PHE 211 Ca 0.04 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3kpr s PHE 211 Cb -0.14 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.61 3kpr s PHE 211 CO -0.07 -0.11 0.02 0.50 0.70 0.00 0.00 175.22 176.26 3kpr s ARG 212 N 0.12 0.15 -0.32 0.44 3.52 -0.06 0.15 118.95 122.95 3kpr s ARG 212 Ca -0.06 0.15 -0.12 0.00 -0.13 0.00 0.00 55.73 55.58 3kpr s ARG 212 Cb -0.15 -0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 32.78 3kpr s ARG 212 CO 0.04 -0.18 0.22 0.00 -0.81 0.00 0.00 175.30 174.57 3kpr s GLN 214 N 1.74 3.59 -0.21 0.00 0.74 0.50 -1.59 119.66 124.43 3kpr s GLN 214 Ca 0.06 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.92 3kpr s GLN 214 Cb -0.17 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.08 3kpr s GLN 214 CO 0.11 0.18 -0.14 0.08 -0.55 0.00 0.00 175.29 174.97 3kpr s VAL 215 N 0.51 2.40 -0.33 1.34 1.01 0.09 0.29 120.40 125.71 3kpr s VAL 215 Ca -0.04 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 3kpr s VAL 215 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3kpr s VAL 215 CO 0.03 0.35 0.79 -1.58 0.00 0.00 0.00 175.10 174.69 3kpr s GLN 216 N 1.29 3.88 -0.20 2.72 2.00 0.22 -1.25 119.66 128.31 3kpr s GLN 216 Ca 0.02 0.48 -0.10 0.00 -2.00 0.00 0.00 55.36 53.75 3kpr s GLN 216 Cb -0.15 -3.76 -0.05 0.00 0.80 0.00 0.00 33.01 29.85 3kpr s GLN 216 CO -0.09 -0.75 0.14 0.12 -0.50 0.00 0.00 175.29 174.21 3kpr s PHE 217 N 3.02 3.40 -0.35 1.67 5.36 -0.15 -2.04 117.98 128.89 3kpr s PHE 217 Ca 0.32 0.33 -0.10 0.00 -0.96 0.00 0.00 56.93 56.51 3kpr s PHE 217 Cb -0.14 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.38 3kpr s PHE 217 CO 0.14 0.27 0.19 0.71 -1.46 0.00 0.00 175.22 175.07 3kpr s TYR 218 N 0.43 3.22 0.00 10.12 1.51 -1.03 -1.58 117.35 130.02 3kpr s TYR 218 Ca 0.08 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 3kpr s TYR 218 Cb -0.11 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.33 3kpr s TYR 218 CO -0.01 -0.57 0.00 0.41 -1.11 0.00 0.00 175.55 174.26 3kpr n GLY 219 N 4.99 3.84 3.94 0.71 0.00 -1.26 -4.79 105.19 112.62 3kpr n GLY 219 Ca -0.13 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 3.11 0.05 0.99 1.02 -0.57 -4.52 118.68 118.75 3kpr s LEU 220 Ca 0.00 0.44 -0.03 0.00 0.02 0.00 0.00 54.13 54.56 3kpr s LEU 220 Cb 0.00 -3.21 -0.03 0.00 0.02 0.00 0.00 46.19 42.98 3kpr s LEU 220 CO 0.00 -1.26 0.02 -0.94 0.02 0.00 0.00 176.35 174.18 3kpr s SER 221 N -4.41 0.35 0.59 2.29 1.04 -1.26 -0.13 113.70 112.17 3kpr s SER 221 Ca 0.57 -0.79 0.31 0.00 0.48 0.00 0.00 55.95 56.52 3kpr s SER 221 Cb -0.11 0.20 1.30 0.00 0.10 0.00 0.00 66.02 67.52 3kpr s SER 221 CO 0.43 -0.54 1.62 -0.33 0.98 0.00 0.00 173.24 175.40 3kpr h GLU 222 N 3.46 0.00 -0.81 4.02 5.08 -2.00 0.27 114.58 124.60 3kpr h GLU 222 Ca -0.33 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3kpr h GLU 222 Cb 1.17 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 3kpr h GLU 222 CO 0.58 0.00 0.53 -0.97 -1.00 0.00 0.00 179.01 178.15 3kpr h ASN 223 N 0.00 0.70 -3.24 1.42 -0.00 -2.04 -3.43 115.58 109.00 3kpr h ASN 223 Ca 0.44 0.02 -0.57 0.00 -0.00 0.00 0.00 56.30 56.19 3kpr h ASN 223 Cb 2.28 -0.13 -0.04 0.00 -0.00 0.00 0.00 38.32 40.43 3kpr h ASN 223 CO -0.00 0.42 -0.18 -1.81 -0.00 0.00 0.00 177.43 175.86 3kpr s ASP 224 N -6.03 6.68 0.39 1.15 1.01 0.95 -5.10 116.67 115.73 3kpr s ASP 224 Ca -0.10 0.89 -0.02 0.00 0.71 0.00 0.00 52.55 54.03 3kpr s ASP 224 Cb 0.20 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 3kpr s ASP 224 CO 0.78 0.10 0.63 -0.70 0.21 0.00 0.00 175.17 176.19 3kpr s GLU 225 N -2.14 3.51 -0.04 8.23 2.12 -1.26 -4.80 118.70 124.32 3kpr s GLU 225 Ca 0.38 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.57 3kpr s GLU 225 Cb -0.14 -2.56 0.03 0.00 0.26 0.00 0.00 34.13 31.73 3kpr s GLU 225 CO 0.19 0.03 0.07 -0.46 -0.54 0.00 0.00 175.26 174.55 3kpr s TRP 226 N -2.45 -0.01 0.00 5.30 -0.11 -1.26 -5.03 118.94 115.37 3kpr s TRP 226 Ca 0.43 0.27 0.00 0.00 1.22 0.00 0.00 56.10 58.01 3kpr s TRP 226 Cb -0.10 -0.29 0.00 0.00 -1.50 0.00 0.00 33.47 31.58 3kpr s TRP 226 CO 0.39 -0.15 0.57 0.25 -4.62 0.00 0.00 176.95 173.39 3kpr n THR 227 N 4.62 0.16 -1.64 5.86 -2.24 -1.26 -5.04 114.28 114.74 3kpr n THR 227 Ca -0.18 -0.57 -0.31 0.00 -2.27 0.00 0.00 64.05 60.71 3kpr n THR 227 Cb 0.50 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.16 3.02 0.23 -0.78 -1.52 -1.26 -4.99 119.66 114.20 3kpr s GLN 228 Ca 0.00 0.97 0.02 0.00 -1.95 0.00 0.00 55.36 54.40 3kpr s GLN 228 Cb 0.00 -2.00 0.24 0.00 -0.22 0.00 0.00 33.01 31.03 3kpr s GLN 228 CO 0.00 -1.04 1.57 -0.44 -0.25 0.00 0.00 175.29 175.14 3kpr h ASP 229 N -0.57 0.41 -4.20 5.90 5.19 -2.04 -3.46 116.42 117.66 3kpr h ASP 229 Ca -0.44 -0.21 -0.49 0.00 -0.62 0.00 0.00 57.03 55.27 3kpr h ASP 229 Cb 1.21 -0.12 0.13 0.00 0.18 0.00 0.00 39.33 40.73 3kpr h ASP 229 CO 0.57 0.86 0.29 0.00 -3.12 0.00 0.00 179.24 177.85 3kpr s ARG 230 N -3.96 1.79 0.24 3.56 1.70 -1.26 -4.96 118.95 116.06 3kpr s ARG 230 Ca -0.05 0.84 -0.31 0.00 -0.47 0.00 0.00 55.73 55.74 3kpr s ARG 230 Cb 0.12 -1.87 -0.13 0.00 -0.57 0.00 0.00 34.95 32.50 3kpr s ARG 230 CO 0.81 -1.88 1.43 0.00 -1.08 0.00 0.00 175.30 174.58 3kpr n ALA 231 N -3.64 1.27 -1.66 7.88 0.00 -1.26 -4.89 120.51 118.20 3kpr n ALA 231 Ca 0.07 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 3kpr n ALA 231 Cb 0.55 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3kpr n ALA 231 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kpr n LYS 232 N 2.05 2.79 -0.95 0.00 4.81 -1.26 -4.86 118.16 120.74 3kpr n LYS 232 Ca 0.11 1.02 -0.30 0.00 -0.87 0.00 0.00 58.31 58.28 3kpr n LYS 232 Cb 0.32 -2.96 -0.03 0.00 0.02 0.00 0.00 35.03 32.38 3kpr n LYS 232 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3kpr n PRO 233 N 7.32 2.21 -1.39 1.64 -0.04 -1.26 -4.93 135.00 138.55 3kpr n PRO 233 Ca 0.20 -1.70 -0.31 0.00 -0.04 0.00 0.00 63.50 61.65 3kpr n PRO 233 Cb 0.39 -2.64 0.08 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.57 3.36 0.08 0.52 -7.23 -1.26 -1.51 120.40 117.93 3kpr s VAL 234 Ca 0.47 0.48 -0.35 0.00 -1.81 0.00 0.00 61.98 60.78 3kpr s VAL 234 Cb 0.12 -2.99 -0.14 0.00 0.56 0.00 0.00 36.38 33.93 3kpr s VAL 234 CO -0.01 -0.54 1.61 0.41 -0.31 0.00 0.00 175.10 176.27 3kpr n THR 235 N -3.25 0.14 -3.49 5.32 -1.04 0.82 -4.52 114.28 108.27 3kpr n THR 235 Ca 0.09 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.96 3kpr n THR 235 Cb 0.53 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 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 1.65 1.01 -0.17 -2.82 -2.07 -0.61 -4.93 119.66 111.72 3kpr s GLN 236 Ca 0.84 -0.20 -0.17 0.00 -1.82 0.00 0.00 55.36 54.01 3kpr s GLN 236 Cb -0.74 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.61 3kpr s GLN 236 CO 0.43 -0.40 0.45 0.96 -1.32 0.00 0.00 175.29 175.41 3kpr s ILE 237 N -2.71 5.18 -0.12 3.63 -4.36 -1.26 -0.98 121.20 120.58 3kpr s ILE 237 Ca -0.00 0.84 0.02 0.00 -0.26 0.00 0.00 60.65 61.24 3kpr s ILE 237 Cb -0.01 -3.78 -0.00 0.00 1.25 0.00 0.00 42.46 39.92 3kpr s ILE 237 CO -0.05 0.27 -0.19 -0.69 0.24 0.00 0.00 174.94 174.51 3kpr s VAL 238 N 1.08 2.41 0.04 8.37 1.01 -0.38 -4.98 120.40 127.95 3kpr s VAL 238 Ca 0.22 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kpr s VAL 238 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3kpr s VAL 238 CO 0.09 0.54 -0.03 -0.94 0.00 0.00 0.00 175.10 174.75 3kpr s SER 239 N 0.49 0.48 0.03 3.32 1.04 -1.26 -0.73 113.70 117.07 3kpr s SER 239 Ca -0.13 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3kpr s SER 239 Cb -0.17 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 3kpr s SER 239 CO 0.05 -0.48 -0.13 0.00 0.98 0.00 0.00 173.24 173.66 3kpr s ALA 240 N -3.04 1.05 0.07 5.32 0.00 -0.62 -4.88 121.76 119.67 3kpr s ALA 240 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3kpr s ALA 240 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3kpr s ALA 240 CO -0.06 0.19 -0.12 -1.83 0.00 0.00 0.00 175.76 173.94 3kpr s GLU 241 N -1.04 0.75 -0.01 0.00 -1.05 -1.26 -0.57 118.70 115.51 3kpr s GLU 241 Ca 0.01 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 3kpr s GLU 241 Cb -0.07 -0.62 0.01 0.00 -0.44 0.00 0.00 34.13 33.00 3kpr s GLU 241 CO 0.01 0.13 -0.01 0.00 0.95 0.00 0.00 175.26 176.34 3kpr s ALA 242 N -1.55 0.15 0.25 -0.84 0.00 0.12 -4.92 121.76 114.98 3kpr s ALA 242 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 3kpr s ALA 242 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3kpr s ALA 242 CO 0.01 0.01 0.48 -1.58 0.00 0.00 0.00 175.76 174.68 3kpr s TRP 243 N 0.21 3.48 0.65 0.00 0.52 -1.26 -0.43 118.94 122.11 3kpr s TRP 243 Ca -0.02 0.52 -0.17 0.00 0.02 0.00 0.00 56.10 56.45 3kpr s TRP 243 Cb -0.04 -2.00 -0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3kpr s TRP 243 CO -0.01 0.26 1.21 0.20 0.02 0.00 0.00 176.95 178.64 3kpr s GLY 244 N -3.15 2.58 -0.23 0.98 0.00 0.44 -4.95 107.32 102.98 3kpr s GLY 244 Ca 0.42 0.96 -0.05 0.00 0.00 0.00 0.00 44.72 46.05 3kpr s GLY 244 CO 0.29 1.36 -0.01 -1.60 0.00 0.00 0.00 173.10 173.15 3kpr s ARG 245 N -3.59 3.39 0.06 2.90 3.52 -0.41 -4.10 118.95 120.72 3kpr s ARG 245 Ca 0.76 -0.63 -0.37 0.00 -0.13 0.00 0.00 55.73 55.37 3kpr s ARG 245 Cb -0.30 -3.11 -0.20 0.00 -1.56 0.00 0.00 34.95 29.78 3kpr s ARG 245 CO 0.39 -0.23 1.58 0.00 -0.81 0.00 0.00 175.30 176.23 3kpr h ALA 246 N 8.15 -1.26 0.00 6.12 0.00 -1.82 -3.37 119.26 127.08 3kpr h ALA 246 Ca -0.40 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3kpr h ALA 246 Cb 1.16 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3kpr h ALA 246 CO 0.60 -1.21 0.00 -3.47 0.00 0.00 0.00 179.25 175.17