#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2k n VAL 9 N 0.00 4.45 -3.96 5.09 0.31 -1.26 -4.97 118.33 117.98 1a2k n VAL 9 Ca 0.00 -4.93 -0.35 0.00 -0.01 0.00 0.00 64.34 59.05 1a2k n VAL 9 Cb 0.00 -2.43 -0.14 0.00 -0.91 0.00 0.00 33.84 30.36 1a2k n VAL 9 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a2k s GLN 10 N 0.27 3.42 -0.19 5.55 -0.21 -1.26 -1.55 119.66 125.69 1a2k s GLN 10 Ca 0.38 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 1a2k s GLN 10 Cb -0.01 -3.01 -0.00 0.00 1.00 0.00 0.00 33.01 30.98 1a2k s GLN 10 CO -0.00 -0.15 -0.10 -0.06 -2.12 0.00 0.00 175.29 172.85 1a2k s PHE 11 N 1.37 2.88 -0.36 0.91 0.08 -0.02 -4.98 117.98 117.86 1a2k s PHE 11 Ca 0.04 -1.10 -0.28 0.00 0.12 0.00 0.00 56.93 55.72 1a2k s PHE 11 Cb -0.14 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1a2k s PHE 11 CO -0.02 -0.57 1.70 0.21 -0.10 0.00 0.00 175.22 176.44 1a2k s LYS 12 N 1.23 3.37 -0.26 0.44 2.20 -1.26 -1.16 119.74 124.30 1a2k s LYS 12 Ca 0.03 1.26 -0.09 0.00 -0.36 0.00 0.00 55.97 56.80 1a2k s LYS 12 Cb -0.14 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 1a2k s LYS 12 CO -0.04 -1.82 0.14 -1.17 -0.36 0.00 0.00 175.35 172.09 1a2k s LEU 13 N 6.60 3.81 -0.22 5.43 0.20 0.21 -0.79 118.68 133.93 1a2k s LEU 13 Ca 0.74 -0.06 -0.15 0.00 0.69 0.00 0.00 54.13 55.35 1a2k s LEU 13 Cb -0.20 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1a2k s LEU 13 CO 0.33 -0.02 0.37 0.68 -0.29 0.00 0.00 176.35 177.41 1a2k s VAL 14 N 1.56 5.21 -0.36 1.68 -7.23 -0.98 -0.20 120.40 120.08 1a2k s VAL 14 Ca 0.07 0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 1a2k s VAL 14 Cb -0.15 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1a2k s VAL 14 CO 0.07 0.25 0.29 -0.22 -0.31 0.00 0.00 175.10 175.18 1a2k s LEU 15 N 1.42 4.67 0.17 1.32 0.20 -0.50 -2.05 118.68 123.91 1a2k s LEU 15 Ca 0.17 -0.52 0.06 0.00 0.69 0.00 0.00 54.13 54.53 1a2k s LEU 15 Cb -0.15 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1a2k s LEU 15 CO 0.08 -0.33 -0.12 0.68 -0.29 0.00 0.00 176.35 176.37 1a2k s VAL 16 N 1.80 1.40 0.00 1.68 -7.23 -0.56 -4.56 120.40 112.93 1a2k s VAL 16 Ca 0.07 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1a2k s VAL 16 Cb -0.18 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1a2k s VAL 16 CO 0.11 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1a2k n GLY 17 N -0.24 4.33 3.31 2.32 0.00 -1.26 -1.60 105.19 112.04 1a2k n GLY 17 Ca -0.10 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1a2k n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a2k n ASP 18 N 0.00 -2.80 -4.68 1.61 9.92 -1.26 -4.88 116.55 114.46 1a2k n ASP 18 Ca 0.00 0.77 -0.42 0.00 -0.53 0.00 0.00 54.79 54.61 1a2k n ASP 18 Cb 0.00 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1a2k n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a2k n GLY 19 N 2.30 0.38 2.18 0.44 0.00 -1.26 -2.81 105.19 106.41 1a2k n GLY 19 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1a2k n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLY 20 N 0.88 0.75 0.19 -0.02 0.00 -1.26 -4.94 105.19 100.79 1a2k n GLY 20 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1a2k n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a2k h THR 21 N 0.00 0.27 0.00 2.61 1.35 -1.87 -3.48 112.91 111.79 1a2k h THR 21 Ca 0.00 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1a2k h THR 21 Cb 0.00 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1a2k h THR 21 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1a2k n GLY 22 N 1.15 1.39 0.44 5.82 0.00 -1.26 -4.62 105.19 108.11 1a2k n GLY 22 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1a2k n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2k h LYS 23 N 0.83 -0.59 -0.61 1.61 1.57 -1.92 0.15 116.57 117.61 1a2k h LYS 23 Ca 0.00 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1a2k h LYS 23 Cb 0.00 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1a2k h LYS 23 CO 0.00 -0.39 0.04 1.15 -0.57 0.00 0.00 179.45 179.68 1a2k h THR 24 N -0.61 1.26 -0.28 -0.16 2.02 -1.97 -1.23 112.91 111.95 1a2k h THR 24 Ca 0.04 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.19 1a2k h THR 24 Cb 0.69 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 1a2k h THR 24 CO -0.36 0.40 -0.16 0.74 0.37 0.00 0.00 175.52 176.50 1a2k h THR 25 N 0.95 0.52 0.65 3.16 2.02 -1.94 -0.96 112.91 117.31 1a2k h THR 25 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1a2k h THR 25 Cb 0.50 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1a2k h THR 25 CO 0.02 0.00 -0.51 0.15 0.37 0.00 0.00 175.52 175.56 1a2k h PHE 26 N -0.13 -1.38 -0.82 3.16 3.57 -0.44 -3.20 116.94 117.70 1a2k h PHE 26 Ca 0.15 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1a2k h PHE 26 Cb 0.36 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1a2k h PHE 26 CO -0.35 -0.71 0.53 -0.24 -2.23 0.00 0.00 178.31 175.31 1a2k h VAL 27 N -1.12 0.96 -0.21 1.41 3.04 -1.04 -2.98 116.25 116.31 1a2k h VAL 27 Ca -0.08 -0.27 0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1a2k h VAL 27 Cb 0.93 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1a2k h VAL 27 CO 0.02 0.14 0.15 0.11 -1.01 0.00 0.00 177.57 176.98 1a2k h LYS 28 N 0.79 0.13 -0.80 4.17 1.57 -1.19 -3.23 116.57 118.00 1a2k h LYS 28 Ca 0.38 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.34 1a2k h LYS 28 Cb 0.41 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.56 1a2k h LYS 28 CO -0.15 0.08 0.09 0.00 -0.57 0.00 0.00 179.45 178.91 1a2k h ARG 29 N 0.13 0.14 -5.97 3.15 2.47 -1.52 -3.33 114.38 109.45 1a2k h ARG 29 Ca 0.09 -0.01 -0.50 0.00 -1.26 0.00 0.00 59.98 58.30 1a2k h ARG 29 Cb 0.21 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1a2k h ARG 29 CO -0.01 0.09 1.37 -1.58 0.56 0.00 0.00 179.97 180.40 1a2k s HIS 30 N -6.05 1.64 0.21 3.04 2.46 -1.22 -0.64 115.29 114.72 1a2k s HIS 30 Ca -0.13 0.82 -0.10 0.00 0.47 0.00 0.00 55.06 56.12 1a2k s HIS 30 Cb 0.24 -4.07 0.22 0.00 -0.13 0.00 0.00 32.58 28.84 1a2k s HIS 30 CO 0.76 -2.33 1.81 -0.07 -2.47 0.00 0.00 174.74 172.44 1a2k h LEU 31 N 16.50 0.57 -0.61 8.88 3.38 -1.61 -1.53 115.31 140.89 1a2k h LEU 31 Ca -0.26 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1a2k h LEU 31 Cb 1.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1a2k h LEU 31 CO 1.21 0.37 -0.11 0.74 0.09 0.00 0.00 178.44 180.74 1a2k h THR 32 N 0.70 1.27 -0.41 0.22 2.02 -1.91 -1.16 112.91 113.64 1a2k h THR 32 Ca 0.29 -1.26 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1a2k h THR 32 Cb 0.15 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1a2k h THR 32 CO -0.17 0.44 0.22 1.23 0.37 0.00 0.00 175.52 177.62 1a2k h GLY 33 N 0.95 0.57 0.32 2.16 0.00 -1.55 0.19 103.07 105.70 1a2k h GLY 33 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1a2k h GLY 33 CO 0.05 0.13 -0.24 -2.09 0.00 0.00 0.00 176.54 174.38 1a2k h GLU 34 N 0.45 -0.31 -0.61 4.80 4.57 -0.92 -1.27 114.58 121.29 1a2k h GLU 34 Ca 0.17 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1a2k h GLU 34 Cb 0.05 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1a2k h GLU 34 CO -0.10 -0.21 0.40 0.35 -1.18 0.00 0.00 179.01 178.28 1a2k h PHE 35 N -0.32 0.76 -0.40 0.92 3.57 -0.89 -2.96 116.94 117.61 1a2k h PHE 35 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1a2k h PHE 35 Cb 0.46 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1a2k h PHE 35 CO -0.33 0.47 0.00 0.39 -2.23 0.00 0.00 178.31 176.61 1a2k n GLU 36 N -4.67 1.94 -2.13 1.11 1.02 0.62 -4.98 120.64 113.55 1a2k n GLU 36 Ca 0.05 -1.46 -0.36 0.00 -0.02 0.00 0.00 57.16 55.37 1a2k n GLU 36 Cb 0.03 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1a2k n GLU 36 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1a2k s LYS 37 N -1.46 3.18 -0.15 3.49 -2.85 -0.49 -4.71 119.74 116.74 1a2k s LYS 37 Ca 0.27 1.74 0.00 0.00 -1.00 0.00 0.00 55.97 56.98 1a2k s LYS 37 Cb 0.14 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.95 1a2k s LYS 37 CO 0.19 -1.02 -0.14 0.21 0.10 0.00 0.00 175.35 174.68 1a2k s LYS 38 N -3.28 2.35 -0.11 1.78 2.20 -0.66 -4.91 119.74 117.10 1a2k s LYS 38 Ca 0.75 -0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 55.53 1a2k s LYS 38 Cb -0.28 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 1a2k s LYS 38 CO 0.30 -0.25 0.68 -0.47 -0.36 0.00 0.00 175.35 175.26 1a2k s TYR 39 N 1.46 3.51 -0.33 4.03 5.04 -1.26 -0.93 117.35 128.87 1a2k s TYR 39 Ca 0.05 1.15 0.04 0.00 -2.44 0.00 0.00 57.07 55.86 1a2k s TYR 39 Cb -0.13 -2.81 0.10 0.00 0.35 0.00 0.00 41.96 39.47 1a2k s TYR 39 CO -0.11 -0.00 0.04 0.08 -1.34 0.00 0.00 175.55 174.22 1a2k s VAL 40 N 1.20 2.25 0.26 3.14 1.01 0.51 -4.98 120.40 123.78 1a2k s VAL 40 Ca 0.35 -2.29 -0.05 0.00 0.00 0.00 0.00 61.98 59.99 1a2k s VAL 40 Cb -0.17 -2.65 0.24 0.00 0.00 0.00 0.00 36.38 33.81 1a2k s VAL 40 CO 0.15 -0.57 1.92 0.00 0.00 0.00 0.00 175.10 176.60 1a2k h ALA 41 N 7.63 1.28 0.00 5.51 0.00 -1.97 -1.39 119.26 130.32 1a2k h ALA 41 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1a2k h ALA 41 Cb 1.02 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1a2k h ALA 41 CO 0.52 0.63 -0.06 1.79 0.00 0.00 0.00 179.25 182.12 1a2k h THR 42 N 1.26 0.72 0.00 0.00 1.35 -1.97 -2.02 112.91 112.24 1a2k h THR 42 Ca 0.33 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1a2k h THR 42 Cb -0.09 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1a2k h THR 42 CO -0.07 0.06 -1.04 0.18 -0.25 0.00 0.00 175.52 174.41 1a2k n LEU 43 N -3.99 0.78 -3.20 3.87 4.77 -0.96 -5.02 117.00 113.25 1a2k n LEU 43 Ca -0.03 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.48 1a2k n LEU 43 Cb 0.15 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1a2k n LEU 43 CO 0.31 0.18 0.05 0.61 -1.33 0.00 0.00 177.39 177.21 1a2k n GLY 44 N 1.46 -0.82 3.37 -0.72 0.00 -0.57 -4.91 105.19 102.99 1a2k n GLY 44 Ca 0.03 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1a2k n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2k s VAL 45 N -3.36 -0.00 -0.39 1.61 0.11 -1.18 -2.12 120.40 115.07 1a2k s VAL 45 Ca 0.30 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 1a2k s VAL 45 Cb -0.04 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1a2k s VAL 45 CO 0.70 0.01 0.24 -1.61 -3.33 0.00 0.00 175.10 171.10 1a2k s GLU 46 N 0.48 2.90 -0.30 1.54 2.02 0.30 -0.36 118.70 125.28 1a2k s GLU 46 Ca -0.02 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.71 1a2k s GLU 46 Cb -0.04 -3.82 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 1a2k s GLU 46 CO -0.02 -0.71 0.71 0.08 0.02 0.00 0.00 175.26 175.34 1a2k s VAL 47 N 1.61 4.87 -0.28 2.63 1.01 -0.10 -2.01 120.40 128.12 1a2k s VAL 47 Ca 0.03 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1a2k s VAL 47 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1a2k s VAL 47 CO 0.08 -0.18 0.17 -1.00 0.00 0.00 0.00 175.10 174.16 1a2k s HIS 48 N 2.77 3.19 -0.78 5.22 3.76 -0.35 -1.66 115.29 127.45 1a2k s HIS 48 Ca 0.29 -0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 54.90 1a2k s HIS 48 Cb -0.15 -2.35 0.03 0.00 1.11 0.00 0.00 32.58 31.22 1a2k s HIS 48 CO 0.12 -0.22 1.40 -1.25 -0.85 0.00 0.00 174.74 173.93 1a2k s PRO 49 N 1.72 3.18 -0.44 8.40 0.04 -1.26 -1.01 135.00 145.63 1a2k s PRO 49 Ca 0.07 -0.31 -0.16 0.00 0.04 0.00 0.00 61.00 60.64 1a2k s PRO 49 Cb -0.16 -4.45 0.04 0.00 0.04 0.00 0.00 34.50 29.97 1a2k s PRO 49 CO 0.09 -2.27 0.39 -0.51 0.04 0.00 0.00 177.00 174.75 1a2k s LEU 50 N 6.11 5.20 -0.10 -3.56 1.43 0.72 -3.69 118.68 124.79 1a2k s LEU 50 Ca 0.42 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1a2k s LEU 50 Cb -0.07 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1a2k s LEU 50 CO 0.10 -0.58 0.44 -0.69 0.23 0.00 0.00 176.35 175.85 1a2k s VAL 51 N 1.86 5.17 -0.01 -1.59 1.01 -1.26 -1.24 120.40 124.34 1a2k s VAL 51 Ca 0.07 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1a2k s VAL 51 Cb -0.20 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1a2k s VAL 51 CO 0.10 0.38 -0.09 -0.36 0.00 0.00 0.00 175.10 175.13 1a2k s PHE 52 N 0.28 0.84 -0.37 5.22 0.40 0.04 -4.78 117.98 119.61 1a2k s PHE 52 Ca 0.24 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.28 1a2k s PHE 52 Cb -0.15 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.84 1a2k s PHE 52 CO 0.10 -0.02 0.25 -1.01 0.70 0.00 0.00 175.22 175.25 1a2k s HIS 53 N -0.19 3.23 0.67 0.36 3.76 -1.26 0.40 115.29 122.25 1a2k s HIS 53 Ca 0.03 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1a2k s HIS 53 Cb -0.04 -2.51 0.13 0.00 1.11 0.00 0.00 32.58 31.27 1a2k s HIS 53 CO -0.00 -0.51 0.91 0.25 -0.85 0.00 0.00 174.74 174.55 1a2k n THR 54 N 5.11 0.00 0.22 1.30 -2.24 0.31 -0.91 114.28 118.07 1a2k n THR 54 Ca -0.12 -1.59 0.11 0.00 -2.27 0.00 0.00 64.05 60.17 1a2k n THR 54 Cb 0.48 -0.82 0.38 0.00 -2.10 0.00 0.00 70.33 68.27 1a2k n THR 54 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a2k h ASN 55 N -0.41 0.00 -0.61 3.42 -0.00 -1.59 -1.88 115.58 114.50 1a2k h ASN 55 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 1a2k h ASN 55 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1a2k h ASN 55 CO 0.35 0.18 0.00 0.54 -0.00 0.00 0.00 177.43 178.50 1a2k n ARG 56 N -3.25 3.00 0.00 4.14 1.74 -1.26 -5.06 116.66 115.98 1a2k n ARG 56 Ca 0.01 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1a2k n ARG 56 Cb 0.47 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1a2k n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a2k n GLY 57 N 1.20 0.57 3.82 -0.13 0.00 -0.71 -5.08 105.19 104.86 1a2k n GLY 57 Ca 0.22 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1a2k n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a2k s PRO 58 N -0.60 4.26 -0.02 1.61 0.04 -1.26 0.12 135.00 139.15 1a2k s PRO 58 Ca 0.00 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.01 1a2k s PRO 58 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1a2k s PRO 58 CO 0.00 0.25 -0.07 -1.50 0.04 0.00 0.00 177.00 175.73 1a2k s ILE 59 N -1.75 0.60 -0.20 0.56 2.07 0.16 -4.82 121.20 117.82 1a2k s ILE 59 Ca 0.50 -0.26 -0.04 0.00 -1.41 0.00 0.00 60.65 59.44 1a2k s ILE 59 Cb -0.14 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 41.89 1a2k s ILE 59 CO 0.20 0.20 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.64 1a2k s LYS 60 N 0.23 3.46 -0.23 3.50 2.20 -0.59 -0.78 119.74 127.53 1a2k s LYS 60 Ca -0.03 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1a2k s LYS 60 Cb -0.08 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1a2k s LYS 60 CO 0.00 -0.09 0.02 -0.06 -0.36 0.00 0.00 175.35 174.86 1a2k s PHE 61 N 1.20 3.03 -0.62 4.03 0.08 -0.37 -0.84 117.98 124.50 1a2k s PHE 61 Ca 0.03 -0.58 -0.22 0.00 0.12 0.00 0.00 56.93 56.28 1a2k s PHE 61 Cb -0.14 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.23 1a2k s PHE 61 CO -0.01 -0.38 0.88 -0.80 -0.10 0.00 0.00 175.22 174.81 1a2k s ASN 62 N 1.39 6.19 -0.30 1.36 0.02 -0.31 -0.20 114.94 123.09 1a2k s ASN 62 Ca 0.05 -1.04 -0.29 0.00 -1.02 0.00 0.00 52.86 50.57 1a2k s ASN 62 Cb -0.15 -2.38 0.01 0.00 0.02 0.00 0.00 41.25 38.76 1a2k s ASN 62 CO 0.01 -1.31 1.05 -0.69 0.02 0.00 0.00 177.10 176.18 1a2k s VAL 63 N 3.63 4.56 -0.26 1.60 1.01 -0.18 -0.62 120.40 130.14 1a2k s VAL 63 Ca 0.20 1.76 -0.24 0.00 0.00 0.00 0.00 61.98 63.69 1a2k s VAL 63 Cb -0.18 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 31.81 1a2k s VAL 63 CO 0.10 -0.41 0.82 0.26 0.00 0.00 0.00 175.10 175.87 1a2k s TRP 64 N 3.53 3.28 -0.16 5.22 0.52 0.71 -1.21 118.94 130.84 1a2k s TRP 64 Ca 0.44 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.63 1a2k s TRP 64 Cb -0.13 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 1a2k s TRP 64 CO 0.13 -0.45 -0.18 0.34 0.02 0.00 0.00 176.95 176.81 1a2k s ASP 65 N 1.42 3.37 0.99 2.95 2.15 -0.85 -1.41 116.67 125.29 1a2k s ASP 65 Ca 0.34 -0.56 -0.11 0.00 0.43 0.00 0.00 52.55 52.66 1a2k s ASP 65 Cb -0.15 -1.51 0.19 0.00 -0.30 0.00 0.00 42.92 41.15 1a2k s ASP 65 CO 0.09 0.06 1.10 0.42 -0.17 0.00 0.00 175.17 176.66 1a2k s THR 66 N 0.97 2.18 -2.18 1.71 -4.23 -1.26 -0.54 115.64 112.29 1a2k s THR 66 Ca -0.03 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.72 1a2k s THR 66 Cb -0.15 -2.16 0.42 0.00 1.34 0.00 0.00 72.50 71.95 1a2k s THR 66 CO -0.04 -0.08 1.49 0.00 -0.54 0.00 0.00 174.62 175.46 1a2k n ALA 67 N -4.40 2.51 -0.01 3.99 0.00 -0.90 -4.73 120.51 116.97 1a2k n ALA 67 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1a2k n ALA 67 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1a2k n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2k n GLY 68 N 1.06 1.00 0.00 0.00 0.00 -1.26 -4.98 105.19 101.00 1a2k n GLY 68 Ca 0.15 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1a2k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2k n GLN 69 N -2.01 0.83 0.18 1.61 0.00 -1.26 -2.40 117.38 114.34 1a2k n GLN 69 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.13 1a2k n GLN 69 Cb 0.00 -1.50 0.24 0.00 0.00 0.00 0.00 30.24 28.98 1a2k n GLN 69 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1a2k h GLU 70 N 0.00 0.00 -0.00 2.61 9.09 -1.87 -2.88 114.58 121.53 1a2k h GLU 70 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1a2k h GLU 70 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1a2k h GLU 70 CO 0.00 0.00 -0.13 1.63 0.05 0.00 0.00 179.01 180.56 1a2k n LYS 71 N -2.84 0.63 -0.01 1.06 5.02 -1.01 -3.74 118.16 117.28 1a2k n LYS 71 Ca 0.04 -0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1a2k n LYS 71 Cb 0.50 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1a2k n LYS 71 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1a2k n PHE 72 N -0.98 0.00 -1.69 2.13 3.01 -1.16 -5.12 117.46 113.65 1a2k n PHE 72 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1a2k n PHE 72 Cb 0.29 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1a2k n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a2k n GLY 73 N 1.77 -0.53 3.92 1.37 0.00 -1.10 -5.14 105.19 105.48 1a2k n GLY 73 Ca -0.05 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1a2k n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a2k s GLY 74 N 0.00 1.62 0.34 -0.02 0.00 -1.26 -3.97 107.32 104.03 1a2k s GLY 74 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1a2k s GLY 74 CO 0.00 -0.39 0.79 1.08 0.00 0.00 0.00 173.10 174.58 1a2k s LEU 75 N -5.08 4.07 0.67 0.66 1.43 -1.26 -4.80 118.68 114.37 1a2k s LEU 75 Ca 0.56 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1a2k s LEU 75 Cb -0.11 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 41.99 1a2k s LEU 75 CO 0.46 -0.21 1.11 -0.13 0.23 0.00 0.00 176.35 177.80 1a2k s ARG 76 N -2.89 2.76 0.36 1.70 1.81 -1.26 -4.95 118.95 116.48 1a2k s ARG 76 Ca 0.55 1.35 0.08 0.00 -1.72 0.00 0.00 55.73 55.99 1a2k s ARG 76 Cb -0.11 -1.95 0.69 0.00 -0.45 0.00 0.00 34.95 33.14 1a2k s ARG 76 CO 0.17 -1.28 1.86 -0.44 -0.68 0.00 0.00 175.30 174.93 1a2k h ASP 77 N -0.10 0.26 -0.08 0.23 3.32 -2.01 -2.92 116.42 115.12 1a2k h ASP 77 Ca -0.46 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.55 1a2k h ASP 77 Cb 1.24 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1a2k h ASP 77 CO 0.54 0.46 0.07 1.23 -1.72 0.00 0.00 179.24 179.81 1a2k h GLY 78 N 0.85 0.00 1.01 2.75 0.00 -1.95 -1.48 103.07 104.25 1a2k h GLY 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1a2k h GLY 78 CO 0.03 0.00 0.50 -1.82 0.00 0.00 0.00 176.54 175.24 1a2k h TYR 79 N 0.00 1.02 0.10 5.60 5.03 -1.87 -3.00 116.97 123.85 1a2k h TYR 79 Ca 0.04 0.01 -0.26 0.00 2.58 0.00 0.00 58.73 61.09 1a2k h TYR 79 Cb 0.17 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1a2k h TYR 79 CO 0.00 0.67 -1.16 1.88 -1.32 0.00 0.00 178.16 178.23 1a2k h TYR 80 N 1.08 0.49 -1.84 -3.82 0.05 -1.46 -3.47 116.97 108.00 1a2k h TYR 80 Ca 0.29 -0.34 -0.66 0.00 0.05 0.00 0.00 58.73 58.07 1a2k h TYR 80 Cb -0.07 -0.03 0.06 0.00 1.01 0.00 0.00 36.73 37.70 1a2k h TYR 80 CO -0.01 1.23 0.46 0.44 -1.05 0.00 0.00 178.16 179.23 1a2k n ILE 81 N -3.58 0.22 -1.54 -2.88 -5.35 -0.83 -1.77 119.36 103.63 1a2k n ILE 81 Ca -0.08 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 1a2k n ILE 81 Cb 0.98 -0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 37.93 1a2k n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a2k n GLN 82 N 2.44 -0.44 -2.46 6.28 6.02 -1.26 -5.00 117.38 122.96 1a2k n GLN 82 Ca 0.17 0.55 -0.36 0.00 -0.01 0.00 0.00 57.00 57.35 1a2k n GLN 82 Cb 0.22 -4.33 -0.03 0.00 1.02 0.00 0.00 30.24 27.12 1a2k n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 83 N -2.25 2.95 -0.39 -1.58 0.00 -0.73 -4.66 121.76 115.09 1a2k s ALA 83 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1a2k s ALA 83 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1a2k s ALA 83 CO 0.00 -0.39 0.46 1.04 0.00 0.00 0.00 175.76 176.87 1a2k n GLN 84 N -0.59 1.76 -3.61 0.00 6.02 0.03 -4.85 117.38 116.14 1a2k n GLN 84 Ca 0.08 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.59 1a2k n GLN 84 Cb 0.50 -0.94 -0.01 0.00 1.02 0.00 0.00 30.24 30.82 1a2k n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2k s ALA 86 N -2.34 -1.63 -0.16 0.00 0.00 -0.93 -2.31 121.76 114.39 1a2k s ALA 86 Ca 0.13 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1a2k s ALA 86 Cb 0.04 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1a2k s ALA 86 CO -0.04 -0.57 -0.13 0.42 0.00 0.00 0.00 175.76 175.44 1a2k s ILE 87 N -2.52 2.90 -0.22 0.00 1.01 -0.87 -1.23 121.20 120.28 1a2k s ILE 87 Ca -0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 1a2k s ILE 87 Cb -0.01 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1a2k s ILE 87 CO -0.02 0.50 0.14 -0.63 0.00 0.00 0.00 174.94 174.93 1a2k s ILE 88 N 0.82 5.30 0.01 2.92 1.01 0.31 -1.49 121.20 130.08 1a2k s ILE 88 Ca -0.04 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1a2k s ILE 88 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1a2k s ILE 88 CO 0.00 0.39 -0.12 -0.32 0.00 0.00 0.00 174.94 174.89 1a2k s MET 89 N 0.78 2.35 0.17 2.79 -2.45 -0.63 0.03 119.30 122.34 1a2k s MET 89 Ca 0.07 -0.83 -0.00 0.00 -1.25 0.00 0.00 55.69 53.68 1a2k s MET 89 Cb -0.13 -2.35 -0.04 0.00 1.25 0.00 0.00 34.83 33.56 1a2k s MET 89 CO 0.02 0.58 0.08 -0.59 1.05 0.00 0.00 175.02 176.15 1a2k s PHE 90 N -0.93 1.07 -0.19 4.11 -0.12 0.11 -4.21 117.98 117.83 1a2k s PHE 90 Ca 0.15 -1.25 -0.09 0.00 -0.05 0.00 0.00 56.93 55.70 1a2k s PHE 90 Cb -0.11 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.66 1a2k s PHE 90 CO 0.06 -0.50 0.10 0.34 -0.05 0.00 0.00 175.22 175.17 1a2k s ASP 91 N -3.13 6.00 0.00 1.98 -1.08 -1.26 -0.02 116.67 119.16 1a2k s ASP 91 Ca 0.30 0.19 0.29 0.00 -0.52 0.00 0.00 52.55 52.82 1a2k s ASP 91 Cb 0.07 -2.04 1.35 0.00 -1.46 0.00 0.00 42.92 40.85 1a2k s ASP 91 CO 0.07 0.20 1.98 1.33 0.52 0.00 0.00 175.17 179.26 1a2k n VAL 92 N 3.41 0.01 1.10 1.11 0.24 -0.34 -1.82 118.33 122.04 1a2k n VAL 92 Ca -0.16 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 1a2k n VAL 92 Cb 0.52 -0.51 0.16 0.00 -1.47 0.00 0.00 33.84 32.55 1a2k n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1a2k n THR 93 N -1.41 0.00 -3.80 3.34 -2.24 -1.26 -0.87 114.28 108.04 1a2k n THR 93 Ca 0.10 -0.33 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1a2k n THR 93 Cb 0.30 1.14 -0.16 0.00 -2.10 0.00 0.00 70.33 69.50 1a2k n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a2k s SER 94 N -2.23 3.14 0.45 3.42 0.15 -0.76 -4.64 113.70 113.24 1a2k s SER 94 Ca 0.26 -0.90 0.15 0.00 0.70 0.00 0.00 55.95 56.15 1a2k s SER 94 Cb 0.19 -0.76 1.02 0.00 -1.71 0.00 0.00 66.02 64.76 1a2k s SER 94 CO 0.43 -0.28 2.00 0.03 1.20 0.00 0.00 173.24 176.62 1a2k h ARG 95 N 8.16 0.00 -0.23 5.44 3.08 -1.88 -2.85 114.38 126.10 1a2k h ARG 95 Ca -0.17 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 1a2k h ARG 95 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1a2k h ARG 95 CO 0.36 0.17 -0.48 -0.24 -1.07 0.00 0.00 179.97 178.71 1a2k h VAL 96 N 0.00 1.31 -0.45 2.04 3.04 -1.96 0.05 116.25 120.28 1a2k h VAL 96 Ca -0.00 -1.69 0.06 0.00 -1.01 0.00 0.00 66.70 64.06 1a2k h VAL 96 Cb 0.31 1.65 -0.05 0.00 -2.01 0.00 0.00 31.29 31.19 1a2k h VAL 96 CO 0.02 0.53 0.15 0.71 -1.01 0.00 0.00 177.57 177.97 1a2k h THR 97 N 0.48 0.84 -0.52 3.17 1.35 -1.83 0.13 112.91 116.51 1a2k h THR 97 Ca 0.03 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1a2k h THR 97 Cb 1.01 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1a2k h THR 97 CO 0.09 0.06 0.24 0.22 -0.25 0.00 0.00 175.52 175.88 1a2k h TYR 98 N 0.31 0.76 -0.17 4.73 3.20 -1.45 -2.98 116.97 121.38 1a2k h TYR 98 Ca 0.21 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1a2k h TYR 98 Cb 0.22 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1a2k h TYR 98 CO -0.17 0.61 0.08 0.87 -1.64 0.00 0.00 178.16 177.90 1a2k h LYS 99 N 0.70 0.23 0.00 1.82 6.56 0.62 -1.93 116.57 124.56 1a2k h LYS 99 Ca 0.18 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1a2k h LYS 99 Cb 0.14 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1a2k h LYS 99 CO -0.02 0.18 0.00 0.09 -2.06 0.00 0.00 179.45 177.64 1a2k n ASN 100 N -4.48 0.00 -0.19 0.86 3.02 0.28 -4.09 115.26 110.66 1a2k n ASN 100 Ca -0.00 0.42 -0.03 0.00 -0.03 0.00 0.00 54.58 54.94 1a2k n ASN 100 Cb 0.11 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 38.84 1a2k n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1a2k h VAL 101 N 0.00 0.29 -0.18 2.41 2.07 -1.33 0.61 116.25 120.13 1a2k h VAL 101 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1a2k h VAL 101 Cb 0.29 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1a2k h VAL 101 CO 0.00 0.00 0.14 -0.65 0.02 0.00 0.00 177.57 177.08 1a2k h PRO 102 N -0.10 0.00 -0.39 1.57 0.11 -1.81 0.50 132.00 131.88 1a2k h PRO 102 Ca 0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 1a2k h PRO 102 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1a2k h PRO 102 CO -0.63 0.00 -0.09 -0.91 -0.21 0.00 0.00 178.00 176.16 1a2k h ASN 103 N 0.00 0.76 -0.47 -2.05 -0.26 -1.16 0.24 115.58 112.64 1a2k h ASN 103 Ca 0.08 -0.36 -0.01 0.00 -0.56 0.00 0.00 56.30 55.45 1a2k h ASN 103 Cb 0.37 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.40 1a2k h ASN 103 CO -0.00 0.94 0.26 -0.50 -1.06 0.00 0.00 177.43 177.08 1a2k h TRP 104 N 0.56 0.64 -0.31 1.19 4.06 -0.59 -1.97 115.95 119.53 1a2k h TRP 104 Ca 0.10 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.96 1a2k h TRP 104 Cb 0.61 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 1a2k h TRP 104 CO 0.05 0.47 -0.13 1.25 -3.56 0.00 0.00 178.44 176.52 1a2k h HIS 105 N 0.62 0.58 0.11 0.49 2.76 -1.08 -1.95 115.15 116.68 1a2k h HIS 105 Ca 0.17 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1a2k h HIS 105 Cb 0.04 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1a2k h HIS 105 CO -0.02 0.65 -0.12 0.00 -1.30 0.00 0.00 177.93 177.14 1a2k h ARG 106 N 0.50 -0.25 0.17 5.26 3.08 -0.24 -2.11 114.38 120.80 1a2k h ARG 106 Ca 0.09 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1a2k h ARG 106 Cb 0.52 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1a2k h ARG 106 CO 0.03 -0.17 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.04 1a2k h ASP 107 N -0.26 -0.79 -0.56 7.04 3.32 -1.15 0.11 116.42 124.13 1a2k h ASP 107 Ca 0.01 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.24 1a2k h ASP 107 Cb 0.25 0.29 -0.11 0.00 0.22 0.00 0.00 39.33 39.99 1a2k h ASP 107 CO -0.04 -0.38 -0.40 -0.07 -1.72 0.00 0.00 179.24 176.63 1a2k h LEU 108 N -0.53 -1.36 -0.82 1.55 -0.00 -1.30 0.23 115.31 113.08 1a2k h LEU 108 Ca 0.02 0.24 -0.06 0.00 -0.00 0.00 0.00 57.88 58.07 1a2k h LEU 108 Cb 0.53 0.63 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 1a2k h LEU 108 CO -0.13 -0.33 0.15 0.58 -0.00 0.00 0.00 178.44 178.72 1a2k h VAL 109 N -0.21 1.25 0.51 1.22 2.07 -1.32 0.75 116.25 120.52 1a2k h VAL 109 Ca 0.19 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1a2k h VAL 109 Cb 0.56 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1a2k h VAL 109 CO -0.67 0.35 -0.43 -0.09 0.02 0.00 0.00 177.57 176.75 1a2k h ARG 110 N 0.98 -0.90 0.23 1.57 2.43 0.14 -3.32 114.38 115.52 1a2k h ARG 110 Ca 0.21 0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 59.11 1a2k h ARG 110 Cb 0.36 0.20 0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1a2k h ARG 110 CO 0.00 -0.60 -1.46 0.28 -1.51 0.00 0.00 179.97 176.68 1a2k h VAL 111 N -0.93 1.24 -1.79 0.20 2.07 -0.59 -3.47 116.25 112.98 1a2k h VAL 111 Ca -0.06 -2.64 -0.44 0.00 0.82 0.00 0.00 66.70 64.38 1a2k h VAL 111 Cb 0.80 3.01 0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1a2k h VAL 111 CO -0.02 0.81 -0.34 0.00 0.02 0.00 0.00 177.57 178.04 1a2k n GLU 113 N -1.65 0.62 -2.58 0.00 4.71 -1.26 -4.36 120.64 116.12 1a2k n GLU 113 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1a2k n GLU 113 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.99 1a2k n GLU 113 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1a2k s ASN 114 N -1.88 6.64 -0.03 1.62 4.22 -1.26 -4.80 114.94 119.46 1a2k s ASN 114 Ca 0.00 -1.85 0.07 0.00 -2.14 0.00 0.00 52.86 48.94 1a2k s ASN 114 Cb 0.00 -2.57 -0.02 0.00 1.28 0.00 0.00 41.25 39.94 1a2k s ASN 114 CO 0.00 -1.36 -0.25 0.27 -2.04 0.00 0.00 177.10 173.72 1a2k s ILE 115 N 4.60 2.15 0.21 0.54 -4.36 -1.26 -5.07 121.20 118.01 1a2k s ILE 115 Ca 0.49 -1.07 -0.32 0.00 -0.26 0.00 0.00 60.65 59.49 1a2k s ILE 115 Cb 0.01 -1.75 -0.12 0.00 1.25 0.00 0.00 42.46 41.85 1a2k s ILE 115 CO -0.03 0.58 1.72 -0.81 0.24 0.00 0.00 174.94 176.64 1a2k n PRO 116 N 2.48 2.77 -4.55 0.37 -0.04 -1.26 -4.89 135.00 129.88 1a2k n PRO 116 Ca -0.16 1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 64.08 1a2k n PRO 116 Cb 0.51 -2.85 -0.15 0.00 -0.04 0.00 0.00 33.50 30.97 1a2k n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a2k s ILE 117 N 1.14 0.98 -0.00 0.52 1.01 -0.90 -2.18 121.20 121.77 1a2k s ILE 117 Ca 0.75 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1a2k s ILE 117 Cb -0.51 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1a2k s ILE 117 CO 0.33 0.28 -0.05 -0.69 0.00 0.00 0.00 174.94 174.81 1a2k s VAL 118 N -0.16 3.79 -0.15 2.92 1.01 -0.36 -3.03 120.40 124.42 1a2k s VAL 118 Ca 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1a2k s VAL 118 Cb -0.06 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1a2k s VAL 118 CO -0.00 0.41 -0.03 -0.22 0.00 0.00 0.00 175.10 175.26 1a2k s LEU 119 N -1.40 3.33 -0.10 3.92 2.96 0.24 -0.53 118.68 127.09 1a2k s LEU 119 Ca 0.17 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1a2k s LEU 119 Cb -0.11 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1a2k s LEU 119 CO 0.08 0.20 -0.15 0.00 -1.32 0.00 0.00 176.35 175.16 1a2k s GLY 121 N 0.96 2.09 0.59 0.00 0.00 -0.78 0.08 107.32 110.25 1a2k s GLY 121 Ca -0.07 -2.52 -0.03 0.00 0.00 0.00 0.00 44.72 42.09 1a2k s GLY 121 CO -0.01 1.19 0.86 0.21 0.00 0.00 0.00 173.10 175.35 1a2k s ASN 122 N 3.51 5.33 -0.51 1.64 2.47 0.98 -1.92 114.94 126.44 1a2k s ASN 122 Ca 0.03 0.37 -0.03 0.00 0.42 0.00 0.00 52.86 53.65 1a2k s ASN 122 Cb -0.30 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.22 1a2k s ASN 122 CO 0.03 -1.17 0.44 0.29 -3.72 0.00 0.00 177.10 172.97 1a2k n LYS 123 N -2.53 -2.98 -0.00 0.43 5.02 -0.99 -1.20 118.16 115.91 1a2k n LYS 123 Ca 0.06 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.76 1a2k n LYS 123 Cb 0.59 -3.77 0.55 0.00 -0.02 0.00 0.00 35.03 32.38 1a2k n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a2k n VAL 124 N -3.39 0.01 0.11 -0.18 0.24 -1.19 -1.14 118.33 112.79 1a2k n VAL 124 Ca -0.00 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 1a2k n VAL 124 Cb 0.52 -0.26 0.07 0.00 -1.47 0.00 0.00 33.84 32.70 1a2k n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1a2k h ASP 125 N 0.10 0.00 -3.06 -1.34 2.03 -1.92 -3.44 116.42 108.80 1a2k h ASP 125 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1a2k h ASP 125 Cb 0.02 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.53 1a2k h ASP 125 CO 0.00 0.74 0.69 -0.63 -1.03 0.00 0.00 179.24 179.01 1a2k s ILE 126 N -3.29 3.71 0.06 4.15 1.01 -0.29 -4.85 121.20 121.71 1a2k s ILE 126 Ca -0.00 1.20 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 1a2k s ILE 126 Cb 0.12 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 1a2k s ILE 126 CO 0.78 0.07 1.44 0.11 0.00 0.00 0.00 174.94 177.34 1a2k h LYS 127 N 7.06 0.40 -6.06 2.79 1.79 -1.88 -3.38 116.57 117.30 1a2k h LYS 127 Ca -0.41 -0.16 -0.49 0.00 -2.18 0.00 0.00 60.65 57.41 1a2k h LYS 127 Cb 1.20 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1a2k h LYS 127 CO 0.85 0.67 1.20 0.34 -1.08 0.00 0.00 179.45 181.44 1a2k s ASP 128 N -6.03 5.59 -0.15 0.86 2.15 -1.26 -4.93 116.67 112.90 1a2k s ASP 128 Ca -0.14 -0.15 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 1a2k s ASP 128 Cb 0.06 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1a2k s ASP 128 CO 0.75 -2.22 -0.09 -0.60 -0.17 0.00 0.00 175.17 172.84 1a2k s ARG 129 N 6.53 3.46 -0.24 4.34 3.52 -1.26 -4.65 118.95 130.64 1a2k s ARG 129 Ca 0.57 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 55.59 1a2k s ARG 129 Cb -0.10 -2.76 -0.19 0.00 -1.56 0.00 0.00 34.95 30.34 1a2k s ARG 129 CO 0.14 0.15 -0.15 1.63 -0.81 0.00 0.00 175.30 176.26 1a2k n LYS 130 N 3.73 0.66 -3.43 5.12 4.76 -0.05 -4.81 118.16 124.14 1a2k n LYS 130 Ca -0.18 0.12 -0.44 0.00 -2.87 0.00 0.00 58.31 54.95 1a2k n LYS 130 Cb 0.52 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 1a2k n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a2k s VAL 131 N -2.52 5.04 0.57 -0.18 1.01 -0.54 -4.96 120.40 118.84 1a2k s VAL 131 Ca -0.30 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1a2k s VAL 131 Cb 0.08 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.52 1a2k s VAL 131 CO 0.65 -0.55 0.79 -0.54 0.00 0.00 0.00 175.10 175.45 1a2k s LYS 132 N 1.60 2.31 0.19 2.72 1.02 -1.26 -4.89 119.74 121.43 1a2k s LYS 132 Ca 0.04 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.66 1a2k s LYS 132 Cb -0.24 -2.56 0.15 0.00 -0.52 0.00 0.00 37.83 34.66 1a2k s LYS 132 CO 0.06 -0.85 1.81 0.00 -0.92 0.00 0.00 175.35 175.45 1a2k h ALA 133 N 0.08 0.72 0.00 5.17 0.00 -1.95 -2.43 119.26 120.85 1a2k h ALA 133 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a2k h ALA 133 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1a2k h ALA 133 CO 0.44 0.00 0.00 1.57 0.00 0.00 0.00 179.25 181.26 1a2k h LYS 134 N 0.61 0.00 0.00 0.00 2.10 -1.96 -2.79 116.57 114.53 1a2k h LYS 134 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1a2k h LYS 134 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1a2k h LYS 134 CO -0.13 0.00 -0.59 0.43 -2.00 0.00 0.00 179.45 177.16 1a2k n SER 135 N -2.81 0.56 -3.81 7.07 7.64 -0.92 -4.45 113.62 116.90 1a2k n SER 135 Ca -0.02 -0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.25 1a2k n SER 135 Cb 0.11 0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1a2k n SER 135 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1a2k n ILE 136 N -1.66 5.18 -2.72 0.44 5.41 -1.05 -4.98 119.36 119.97 1a2k n ILE 136 Ca 0.05 -5.25 -0.20 0.00 1.00 0.00 0.00 62.75 58.35 1a2k n ILE 136 Cb 0.37 -2.06 0.10 0.00 -0.71 0.00 0.00 39.64 37.33 1a2k n ILE 136 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1a2k n VAL 137 N 1.72 0.00 -0.58 1.39 0.24 -1.26 -5.04 118.33 114.80 1a2k n VAL 137 Ca 0.39 -1.56 -0.16 0.00 -2.04 0.00 0.00 64.34 60.97 1a2k n VAL 137 Cb 0.31 -0.82 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 1a2k n VAL 137 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1a2k n PHE 138 N -2.59 -0.82 -3.94 6.34 3.01 -1.26 -4.36 117.46 113.83 1a2k n PHE 138 Ca 0.15 0.44 -0.27 0.00 1.01 0.00 0.00 57.45 58.78 1a2k n PHE 138 Cb 0.55 -0.89 -0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1a2k n PHE 138 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1a2k n HIS 139 N -2.13 -1.82 -4.02 1.38 1.44 -1.26 -5.01 115.22 103.80 1a2k n HIS 139 Ca -0.01 0.80 -0.21 0.00 -2.01 0.00 0.00 57.72 56.29 1a2k n HIS 139 Cb 0.31 -3.77 -0.03 0.00 0.12 0.00 0.00 29.99 26.62 1a2k n HIS 139 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1a2k s ARG 140 N -6.52 3.25 0.00 -1.40 6.06 -1.26 -5.02 118.95 114.07 1a2k s ARG 140 Ca 0.23 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 1a2k s ARG 140 Cb -0.12 -2.77 0.00 0.00 0.06 0.00 0.00 34.95 32.11 1a2k s ARG 140 CO 0.87 0.42 0.00 0.36 -2.50 0.00 0.00 175.30 174.45 1a2k n LYS 141 N -1.31 0.00 -0.86 5.12 2.85 -1.26 -4.97 118.16 117.73 1a2k n LYS 141 Ca -0.09 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.83 1a2k n LYS 141 Cb 0.57 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 35.05 1a2k n LYS 141 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1a2k n LYS 142 N 0.00 -0.30 -1.98 -1.58 5.02 -1.26 -3.97 118.16 114.09 1a2k n LYS 142 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1a2k n LYS 142 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1a2k n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a2k n ASN 143 N 0.48 -1.49 -4.08 4.39 2.85 -1.26 -5.03 115.26 111.13 1a2k n ASN 143 Ca 0.03 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.37 1a2k n ASN 143 Cb 0.56 -0.41 -0.11 0.00 1.24 0.00 0.00 39.78 41.06 1a2k n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a2k s LEU 144 N -0.66 2.31 0.01 1.20 2.01 -1.25 -2.12 118.68 120.17 1a2k s LEU 144 Ca 0.00 -0.64 -0.19 0.00 0.01 0.00 0.00 54.13 53.31 1a2k s LEU 144 Cb 0.00 -0.14 0.04 0.00 0.01 0.00 0.00 46.19 46.10 1a2k s LEU 144 CO 0.00 -0.26 0.42 -1.58 1.01 0.00 0.00 176.35 175.94 1a2k s GLN 145 N -2.02 0.86 0.06 1.70 -0.44 -1.17 -4.98 119.66 113.66 1a2k s GLN 145 Ca -0.06 -0.19 0.10 0.00 -2.50 0.00 0.00 55.36 52.70 1a2k s GLN 145 Cb -0.07 0.39 -0.03 0.00 -1.64 0.00 0.00 33.01 31.66 1a2k s GLN 145 CO -0.01 -0.27 -0.27 -0.47 0.50 0.00 0.00 175.29 174.78 1a2k s TYR 146 N -1.84 2.32 -0.03 1.67 5.04 -1.26 0.83 117.35 124.08 1a2k s TYR 146 Ca -0.09 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.11 1a2k s TYR 146 Cb -0.02 -1.37 0.02 0.00 0.35 0.00 0.00 41.96 40.94 1a2k s TYR 146 CO 0.02 0.16 0.07 0.71 -1.34 0.00 0.00 175.55 175.17 1a2k s TYR 147 N -0.84 -0.06 0.15 4.97 2.02 -0.55 -4.92 117.35 118.11 1a2k s TYR 147 Ca 0.12 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 1a2k s TYR 147 Cb -0.10 -0.07 -0.08 0.00 -0.40 0.00 0.00 41.96 41.32 1a2k s TYR 147 CO 0.03 -0.08 1.24 -0.51 -1.57 0.00 0.00 175.55 174.66 1a2k s ASP 148 N 0.54 7.02 0.06 2.29 1.01 -1.26 -1.87 116.67 124.46 1a2k s ASP 148 Ca -0.04 2.22 0.03 0.00 0.71 0.00 0.00 52.55 55.48 1a2k s ASP 148 Cb -0.06 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 1a2k s ASP 148 CO -0.02 -0.46 -0.10 0.27 0.21 0.00 0.00 175.17 175.07 1a2k s ILE 149 N 0.38 0.82 -0.46 0.77 -4.36 -0.81 -4.73 121.20 112.81 1a2k s ILE 149 Ca 0.56 -1.27 0.03 0.00 -0.26 0.00 0.00 60.65 59.71 1a2k s ILE 149 Cb -0.33 -0.92 0.13 0.00 1.25 0.00 0.00 42.46 42.59 1a2k s ILE 149 CO 0.34 -0.36 0.23 -0.55 0.24 0.00 0.00 174.94 174.84 1a2k s SER 150 N -1.81 3.96 0.30 4.36 0.15 -1.03 -2.35 113.70 117.28 1a2k s SER 150 Ca -0.04 -2.70 0.05 0.00 0.70 0.00 0.00 55.95 53.95 1a2k s SER 150 Cb -0.09 -1.28 0.75 0.00 -1.71 0.00 0.00 66.02 63.70 1a2k s SER 150 CO 0.01 -0.27 1.72 0.00 1.20 0.00 0.00 173.24 175.90 1a2k h ALA 151 N 6.74 1.53 0.00 5.45 0.00 -1.93 -1.83 119.26 129.21 1a2k h ALA 151 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a2k h ALA 151 Cb 0.92 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1a2k h ALA 151 CO 0.56 -0.27 0.00 0.87 0.00 0.00 0.00 179.25 180.41 1a2k h LYS 152 N 0.50 0.00 -0.01 0.00 1.79 -1.94 -2.75 116.57 114.16 1a2k h LYS 152 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 1a2k h LYS 152 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1a2k h LYS 152 CO -0.48 0.00 -0.13 -1.13 -1.08 0.00 0.00 179.45 176.62 1a2k n SER 153 N -2.39 1.57 -0.71 0.86 3.41 -0.75 -0.20 113.62 115.41 1a2k n SER 153 Ca 0.02 -1.29 -0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1a2k n SER 153 Cb 0.27 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1a2k n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a2k n ASN 154 N 0.14 -4.67 -4.64 4.04 3.02 -0.84 -4.76 115.26 107.55 1a2k n ASN 154 Ca 0.06 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.41 1a2k n ASN 154 Cb 0.26 -2.99 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 1a2k n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1a2k s TYR 155 N -2.16 2.44 -0.99 3.10 5.04 -1.08 -1.70 117.35 122.00 1a2k s TYR 155 Ca 0.00 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.31 1a2k s TYR 155 Cb 0.00 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.47 1a2k s TYR 155 CO 0.00 -2.38 0.39 0.09 -1.34 0.00 0.00 175.55 172.31 1a2k n ASN 156 N 7.64 -4.45 -0.05 4.32 3.02 -1.26 -2.47 115.26 122.01 1a2k n ASN 156 Ca 0.16 -0.18 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 1a2k n ASN 156 Cb 0.45 -3.32 -0.02 0.00 -0.61 0.00 0.00 39.78 36.28 1a2k n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1a2k h PHE 157 N -0.88 0.13 -0.21 3.10 3.57 -1.70 -2.81 116.94 118.13 1a2k h PHE 157 Ca -0.34 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.14 1a2k h PHE 157 Cb 1.23 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1a2k h PHE 157 CO 0.33 0.06 -0.02 1.05 -2.23 0.00 0.00 178.31 177.50 1a2k h GLU 158 N 0.17 0.32 -0.48 1.11 -0.00 -1.91 -3.38 114.58 110.41 1a2k h GLU 158 Ca 0.09 -0.06 0.10 0.00 -0.00 0.00 0.00 59.36 59.49 1a2k h GLU 158 Cb 0.06 -0.05 -0.09 0.00 -0.00 0.00 0.00 28.75 28.67 1a2k h GLU 158 CO -0.10 0.37 -0.07 0.87 -0.00 0.00 0.00 179.01 180.08 1a2k h LYS 159 N 0.31 0.04 -0.73 1.06 1.79 -1.90 0.14 116.57 117.28 1a2k h LYS 159 Ca 0.07 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1a2k h LYS 159 Cb 0.25 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1a2k h LYS 159 CO 0.01 0.03 0.26 -1.35 -1.08 0.00 0.00 179.45 177.31 1a2k h PRO 160 N 0.04 1.11 -0.19 3.15 0.11 -1.77 -1.53 132.00 132.91 1a2k h PRO 160 Ca 0.24 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1a2k h PRO 160 Cb 0.36 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1a2k h PRO 160 CO -0.46 0.92 -0.05 0.74 -0.21 0.00 0.00 178.00 178.95 1a2k h PHE 161 N 1.07 0.42 -0.15 0.65 0.04 -1.62 -1.33 116.94 116.02 1a2k h PHE 161 Ca 0.24 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1a2k h PHE 161 Cb 0.26 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1a2k h PHE 161 CO 0.02 0.63 -0.03 1.25 -0.60 0.00 0.00 178.31 179.58 1a2k h LEU 162 N 0.09 -0.12 -0.07 1.54 5.85 -0.49 -0.19 115.31 121.92 1a2k h LEU 162 Ca 0.05 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1a2k h LEU 162 Cb 0.49 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1a2k h LEU 162 CO 0.02 -0.04 -0.14 -0.25 -0.34 0.00 0.00 178.44 177.69 1a2k h TRP 163 N 0.01 -0.36 -0.70 1.25 7.01 -1.30 -1.33 115.95 120.54 1a2k h TRP 163 Ca 0.07 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1a2k h TRP 163 Cb 0.10 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 1a2k h TRP 163 CO -0.17 -0.21 0.43 -0.07 -2.79 0.00 0.00 178.44 175.64 1a2k h LEU 164 N -0.20 0.71 -0.31 0.65 3.38 -1.17 -2.49 115.31 115.88 1a2k h LEU 164 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1a2k h LEU 164 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1a2k h LEU 164 CO -0.19 0.49 0.15 0.00 0.09 0.00 0.00 178.44 178.98 1a2k h ALA 165 N 1.31 0.40 -0.16 1.53 0.00 -0.54 -1.00 119.26 120.81 1a2k h ALA 165 Ca 0.29 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1a2k h ALA 165 Cb 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1a2k h ALA 165 CO -0.12 -0.04 -0.39 0.00 0.00 0.00 0.00 179.25 178.71 1a2k h ARG 166 N 0.37 -0.43 -0.58 0.00 3.08 -1.12 -0.22 114.38 115.48 1a2k h ARG 166 Ca 0.11 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1a2k h ARG 166 Cb 0.12 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1a2k h ARG 166 CO -0.01 -0.29 0.29 0.87 -1.07 0.00 0.00 179.97 179.76 1a2k h LYS 167 N -0.45 0.53 -0.04 0.04 1.79 -1.23 0.21 116.57 117.43 1a2k h LYS 167 Ca 0.09 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.37 1a2k h LYS 167 Cb 0.60 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1a2k h LYS 167 CO -0.40 0.35 -0.67 -0.07 -1.08 0.00 0.00 179.45 177.58 1a2k h LEU 168 N 0.55 0.19 0.00 2.94 3.38 -1.00 -3.17 115.31 118.20 1a2k h LEU 168 Ca 0.26 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1a2k h LEU 168 Cb 0.19 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1a2k h LEU 168 CO -0.19 0.80 -1.21 0.40 0.09 0.00 0.00 178.44 178.33 1a2k h ILE 169 N 0.11 0.61 -0.40 1.22 2.04 -0.90 -3.48 117.51 116.71 1a2k h ILE 169 Ca -0.01 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1a2k h ILE 169 Cb 1.20 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1a2k h ILE 169 CO 0.10 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1a2k n GLY 170 N 1.36 1.00 2.77 5.37 0.00 0.67 -5.05 105.19 111.31 1a2k n GLY 170 Ca -0.07 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1a2k n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a2k s ASP 171 N -2.59 1.28 0.12 1.61 -1.08 -0.78 -5.01 116.67 110.22 1a2k s ASP 171 Ca 0.00 -0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.23 1a2k s ASP 171 Cb 0.00 0.27 0.95 0.00 -1.46 0.00 0.00 42.92 42.68 1a2k s ASP 171 CO 0.00 -0.30 1.81 -0.81 0.52 0.00 0.00 175.17 176.39 1a2k n PRO 172 N 5.32 0.15 0.00 4.34 -0.04 -1.26 -3.14 135.00 140.37 1a2k n PRO 172 Ca -0.05 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1a2k n PRO 172 Cb 0.50 -1.67 0.30 0.00 -0.04 0.00 0.00 33.50 32.58 1a2k n PRO 172 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a2k n ASN 173 N -1.93 2.25 -4.67 3.54 3.02 -1.26 -4.94 115.26 111.27 1a2k n ASN 173 Ca 0.06 -1.74 -0.47 0.00 -0.03 0.00 0.00 54.58 52.40 1a2k n ASN 173 Cb 0.39 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1a2k n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1a2k n LEU 174 N 0.74 3.20 -4.36 3.41 7.94 -1.19 -5.00 117.00 121.75 1a2k n LEU 174 Ca 0.16 1.04 -0.19 0.00 -1.11 0.00 0.00 56.01 55.92 1a2k n LEU 174 Cb 0.48 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 1a2k n LEU 174 CO 0.16 -0.21 -0.39 -1.61 -1.11 0.00 0.00 177.39 174.23 1a2k s GLU 175 N 2.17 1.37 -0.20 1.96 0.41 -1.26 -4.92 118.70 118.24 1a2k s GLU 175 Ca 0.85 -1.65 -0.09 0.00 -0.41 0.00 0.00 54.97 53.66 1a2k s GLU 175 Cb -0.69 -0.98 -0.05 0.00 -1.78 0.00 0.00 34.13 30.63 1a2k s GLU 175 CO 0.44 0.07 0.10 -0.06 -0.49 0.00 0.00 175.26 175.32 1a2k s PHE 176 N -3.11 3.34 0.06 1.61 0.08 -1.26 -1.40 117.98 117.30 1a2k s PHE 176 Ca 0.25 0.21 0.10 0.00 0.12 0.00 0.00 56.93 57.61 1a2k s PHE 176 Cb 0.02 -2.14 -0.09 0.00 -0.57 0.00 0.00 43.02 40.25 1a2k s PHE 176 CO 0.08 0.22 1.35 -0.39 -0.10 0.00 0.00 175.22 176.38 1a2k h VAL 177 N 4.78 1.47 -1.97 -0.44 -1.51 -1.29 -3.46 116.25 113.83 1a2k h VAL 177 Ca -0.39 -3.00 -0.04 0.00 -1.23 0.00 0.00 66.70 62.04 1a2k h VAL 177 Cb 1.16 2.68 -0.20 0.00 -2.13 0.00 0.00 31.29 32.79 1a2k h VAL 177 CO 0.73 0.82 0.18 0.00 -1.23 0.00 0.00 177.57 178.07 1a2k s ALA 178 N -2.85 -1.79 0.22 5.19 0.00 -1.26 -5.11 121.76 116.16 1a2k s ALA 178 Ca 0.02 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.38 1a2k s ALA 178 Cb 0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1a2k s ALA 178 CO 0.79 -0.35 1.22 1.41 0.00 0.00 0.00 175.76 178.84 1a2k s MET 179 N -0.35 4.47 0.94 0.00 1.75 -1.26 -4.62 119.30 120.24 1a2k s MET 179 Ca -0.05 1.94 -0.10 0.00 -1.25 0.00 0.00 55.69 56.23 1a2k s MET 179 Cb -0.03 -3.20 0.16 0.00 2.84 0.00 0.00 34.83 34.60 1a2k s MET 179 CO 0.05 -0.10 1.13 -2.14 -0.65 0.00 0.00 175.02 173.31 1a2k s PRO 180 N -0.54 0.78 0.14 4.11 0.02 -1.26 -4.89 135.00 133.35 1a2k s PRO 180 Ca 0.52 1.49 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 1a2k s PRO 180 Cb -0.34 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1a2k s PRO 180 CO 0.39 -2.78 1.79 0.00 -0.33 0.00 0.00 177.00 176.07 1a2k s ALA 181 N -2.62 3.79 -0.06 -1.55 0.00 -1.26 -4.97 121.76 115.08 1a2k s ALA 181 Ca 0.67 1.45 0.06 0.00 0.00 0.00 0.00 51.96 54.14 1a2k s ALA 181 Cb -0.23 -3.74 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 1a2k s ALA 181 CO 0.59 -1.15 -0.23 -0.51 0.00 0.00 0.00 175.76 174.45 1a2k s LEU 182 N 2.41 2.16 0.00 0.00 1.43 -1.26 -2.54 118.68 120.89 1a2k s LEU 182 Ca 0.79 -0.47 -0.36 0.00 -1.03 0.00 0.00 54.13 53.05 1a2k s LEU 182 Cb -0.46 -1.40 -0.15 0.00 0.03 0.00 0.00 46.19 44.21 1a2k s LEU 182 CO 0.35 0.25 1.56 0.00 0.23 0.00 0.00 176.35 178.75 1a2k n ALA 183 N 2.91 0.06 -1.63 4.21 0.00 0.19 -4.84 120.51 121.41 1a2k n ALA 183 Ca -0.17 0.44 -0.48 0.00 0.00 0.00 0.00 53.44 53.22 1a2k n ALA 183 Cb 0.52 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1a2k n ALA 183 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2k n PRO 184 N 3.95 1.60 -1.48 0.00 -0.02 -1.26 -4.81 135.00 132.98 1a2k n PRO 184 Ca 0.20 0.58 -0.54 0.00 -2.02 0.00 0.00 63.50 61.72 1a2k n PRO 184 Cb 0.22 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1a2k n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a2k n PRO 185 N 2.53 0.18 0.00 0.52 -0.02 -1.26 -4.87 135.00 132.08 1a2k n PRO 185 Ca 0.16 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 1a2k n PRO 185 Cb 0.25 -1.41 0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1a2k n PRO 185 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a2k n GLU 186 N 1.40 1.11 -3.97 -0.52 1.02 0.72 -4.95 120.64 115.44 1a2k n GLU 186 Ca 0.19 -0.89 -0.10 0.00 -0.02 0.00 0.00 57.16 56.34 1a2k n GLU 186 Cb 0.16 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1a2k n GLU 186 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a2k s VAL 187 N -2.51 0.12 -0.06 2.62 1.01 -0.70 -4.97 120.40 115.91 1a2k s VAL 187 Ca 0.19 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1a2k s VAL 187 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 1a2k s VAL 187 CO 0.58 -0.38 0.87 -0.69 0.00 0.00 0.00 175.10 175.47 1a2k s VAL 188 N -1.14 4.92 -0.67 2.92 1.01 -1.26 -4.12 120.40 122.06 1a2k s VAL 188 Ca -0.12 1.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.45 1a2k s VAL 188 Cb -0.08 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.21 1a2k s VAL 188 CO -0.01 0.16 0.84 -0.32 0.00 0.00 0.00 175.10 175.77 1a2k s MET 189 N 1.21 3.17 -0.26 2.72 1.75 -1.26 -4.93 119.30 121.70 1a2k s MET 189 Ca 0.45 -1.30 -0.43 0.00 -1.25 0.00 0.00 55.69 53.16 1a2k s MET 189 Cb -0.19 -4.36 -0.19 0.00 2.84 0.00 0.00 34.83 32.94 1a2k s MET 189 CO 0.21 -1.64 1.45 -3.47 -0.65 0.00 0.00 175.02 170.92 1a2k n ASP 190 N 6.64 1.15 0.17 1.11 -0.08 -1.26 -4.83 116.55 119.44 1a2k n ASP 190 Ca -0.02 1.15 0.04 0.00 -1.51 0.00 0.00 54.79 54.45 1a2k n ASP 190 Cb 0.44 -0.97 0.23 0.00 2.34 0.00 0.00 41.12 43.16 1a2k n ASP 190 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1a2k h PRO 191 N 4.82 0.00 0.25 -0.67 0.13 -1.98 0.97 132.00 135.53 1a2k h PRO 191 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1a2k h PRO 191 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1a2k h PRO 191 CO 0.86 0.45 -0.12 0.00 -0.23 0.00 0.00 178.00 178.96 1a2k h ALA 192 N 1.55 -0.34 -0.62 -0.56 0.00 -1.99 -1.67 119.26 115.62 1a2k h ALA 192 Ca -0.00 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1a2k h ALA 192 Cb 1.08 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1a2k h ALA 192 CO 0.06 -0.54 0.13 -0.07 0.00 0.00 0.00 179.25 178.84 1a2k h LEU 193 N -0.65 0.00 -0.92 0.00 3.38 -1.92 0.19 115.31 115.40 1a2k h LEU 193 Ca -0.03 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1a2k h LEU 193 Cb 0.46 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1a2k h LEU 193 CO 0.06 0.01 0.23 0.00 0.09 0.00 0.00 178.44 178.82 1a2k h ALA 194 N 1.50 1.13 0.01 1.53 0.00 -0.85 0.10 119.26 122.69 1a2k h ALA 194 Ca 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a2k h ALA 194 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a2k h ALA 194 CO -0.42 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1a2k h ALA 195 N 1.26 -0.01 -0.36 0.00 0.00 0.14 -1.55 119.26 118.73 1a2k h ALA 195 Ca 0.22 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1a2k h ALA 195 Cb 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1a2k h ALA 195 CO -0.01 -0.44 -0.41 0.37 0.00 0.00 0.00 179.25 178.77 1a2k h GLN 196 N -0.15 -0.33 -0.16 0.00 -0.00 -0.60 -1.08 115.11 112.79 1a2k h GLN 196 Ca -0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.62 1a2k h GLN 196 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1a2k h GLN 196 CO 0.00 -0.22 -0.15 1.88 0.00 0.00 0.00 178.83 180.34 1a2k h TYR 197 N -0.34 0.27 -0.51 3.99 0.05 -0.95 0.21 116.97 119.69 1a2k h TYR 197 Ca 0.13 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1a2k h TYR 197 Cb 0.58 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1a2k h TYR 197 CO -0.58 0.40 -0.11 0.93 -1.05 0.00 0.00 178.16 177.75 1a2k h GLU 198 N 0.24 0.94 -0.37 4.88 5.08 -0.21 -1.43 114.58 123.70 1a2k h GLU 198 Ca 0.05 -0.34 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 1a2k h GLU 198 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1a2k h GLU 198 CO 0.03 1.00 -0.33 1.25 -1.00 0.00 0.00 179.01 179.95 1a2k h HIS 199 N 0.84 0.99 -0.40 4.33 2.76 -0.87 -1.87 115.15 120.93 1a2k h HIS 199 Ca 0.13 -0.27 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1a2k h HIS 199 Cb 0.65 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.34 1a2k h HIS 199 CO 0.04 1.05 0.07 -0.44 -1.30 0.00 0.00 177.93 177.36 1a2k h ASP 200 N 0.70 -0.00 0.77 3.26 3.32 -0.16 0.10 116.42 124.41 1a2k h ASP 200 Ca 0.07 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1a2k h ASP 200 Cb 0.89 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1a2k h ASP 200 CO 0.08 0.03 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.36 1a2k h LEU 201 N 0.20 0.00 0.10 1.55 3.38 -1.28 -2.96 115.31 116.30 1a2k h LEU 201 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a2k h LEU 201 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1a2k h LEU 201 CO -0.26 0.20 -0.06 -0.33 0.09 0.00 0.00 178.44 178.09 1a2k h GLU 202 N 0.00 -0.14 -0.48 1.13 5.08 0.01 -3.14 114.58 117.04 1a2k h GLU 202 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1a2k h GLU 202 Cb 0.64 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1a2k h GLU 202 CO 0.03 -0.09 0.25 0.28 -1.00 0.00 0.00 179.01 178.47 1a2k h VAL 203 N -0.15 0.98 -0.74 3.13 2.07 -1.13 -3.33 116.25 117.09 1a2k h VAL 203 Ca -0.01 -0.17 -0.36 0.00 0.82 0.00 0.00 66.70 66.98 1a2k h VAL 203 Cb 0.12 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1a2k h VAL 203 CO 0.01 0.09 1.38 0.00 0.02 0.00 0.00 177.57 179.07 1a2k n ALA 204 N -2.31 0.61 -1.00 1.67 0.00 -1.12 -0.76 120.51 117.60 1a2k n ALA 204 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1a2k n ALA 204 Cb 0.11 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1a2k n ALA 204 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1a2k n GLN 205 N 8.40 -0.23 0.00 0.00 7.27 -1.26 -5.04 117.38 126.52 1a2k n GLN 205 Ca 0.50 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.63 1a2k n GLN 205 Cb 0.34 -3.22 0.00 0.00 2.41 0.00 0.00 30.24 29.77 1a2k n GLN 205 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76