#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3him s SER 15 N 0.00 5.26 0.16 3.42 0.15 -1.26 -5.01 113.70 116.42 3him s SER 15 Ca 0.00 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 3him s SER 15 Cb 0.00 -1.84 0.04 0.00 -1.71 0.00 0.00 66.02 62.51 3him s SER 15 CO 0.00 0.20 1.82 0.50 1.20 0.00 0.00 173.24 176.95 3him h LYS 16 N 6.50 0.56 -0.56 5.44 3.64 -2.05 -0.37 116.57 129.72 3him h LYS 16 Ca -0.36 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3him h LYS 16 Cb 1.18 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 3him h LYS 16 CO 0.66 0.37 0.27 0.00 -2.27 0.00 0.00 179.45 178.47 3him h ALA 17 N 1.17 0.72 -0.46 5.00 0.00 -1.99 -0.99 119.26 122.71 3him h ALA 17 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3him h ALA 17 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3him h ALA 17 CO -0.05 0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.50 3him h ALA 18 N 1.10 0.62 -0.74 0.00 0.00 -1.93 -1.80 119.26 116.50 3him h ALA 18 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3him h ALA 18 Cb 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3him h ALA 18 CO -0.02 0.40 0.49 0.00 0.00 0.00 0.00 179.25 180.12 3him h ALA 19 N 0.92 0.95 -0.46 0.00 0.00 -0.84 -1.11 119.26 118.73 3him h ALA 19 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3him h ALA 19 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3him h ALA 19 CO 0.02 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 3him h ARG 20 N 1.00 0.78 -0.32 0.00 3.08 -1.03 -1.70 114.38 116.19 3him h ARG 20 Ca 0.28 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3him h ARG 20 Cb -0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3him h ARG 20 CO -0.07 0.82 0.15 0.82 -1.07 0.00 0.00 179.97 180.63 3him h ILE 21 N 0.72 1.16 -0.22 2.04 2.04 -0.81 -0.90 117.51 121.54 3him h ILE 21 Ca 0.13 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3him h ILE 21 Cb 0.51 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3him h ILE 21 CO 0.03 0.16 0.06 0.03 0.00 0.00 0.00 178.15 178.43 3him h ARG 22 N 0.39 0.15 -0.17 2.37 3.08 -1.02 0.17 114.38 119.34 3him h ARG 22 Ca 0.11 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3him h ARG 22 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3him h ARG 22 CO -0.01 0.10 0.06 0.00 -1.07 0.00 0.00 179.97 179.04 3him h ALA 23 N 1.15 0.19 -0.61 0.04 0.00 -1.15 -0.59 119.26 118.28 3him h ALA 23 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3him h ALA 23 Cb 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3him h ALA 23 CO -0.11 -0.38 0.18 0.00 0.00 0.00 0.00 179.25 178.94 3him h ALA 24 N 1.11 0.80 -0.61 0.00 0.00 -1.02 -3.05 119.26 116.48 3him h ALA 24 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3him h ALA 24 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3him h ALA 24 CO -0.08 0.47 0.35 0.00 0.00 0.00 0.00 179.25 180.00 3him h ALA 25 N 1.06 0.78 -0.72 0.00 0.00 -0.32 -2.03 119.26 118.03 3him h ALA 25 Ca 0.19 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3him h ALA 25 Cb 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 3him h ALA 25 CO -0.00 0.28 0.12 0.82 0.00 0.00 0.00 179.25 180.46 3him h ILE 26 N 0.83 0.47 -0.11 0.00 2.04 -1.02 0.49 117.51 120.22 3him h ILE 26 Ca 0.22 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 65.87 3him h ILE 26 Cb 0.01 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3him h ILE 26 CO -0.04 0.04 -0.48 -0.33 0.00 0.00 0.00 178.15 177.34 3him h GLU 27 N 0.21 0.51 -0.26 2.37 4.39 -1.36 -0.09 114.58 120.35 3him h GLU 27 Ca 0.40 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3him h GLU 27 Cb 0.70 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3him h GLU 27 CO -0.55 1.04 -0.03 0.28 -1.16 0.00 0.00 179.01 178.60 3him h VAL 28 N 0.11 1.27 -0.32 3.13 2.07 -1.03 0.37 116.25 121.85 3him h VAL 28 Ca -0.03 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3him h VAL 28 Cb 1.12 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3him h VAL 28 CO 0.10 0.31 0.17 -0.26 0.02 0.00 0.00 177.57 177.91 3him h PHE 29 N 0.25 0.32 -0.85 1.57 0.04 -0.04 0.40 116.94 118.63 3him h PHE 29 Ca 0.07 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 3him h PHE 29 Cb 0.47 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3him h PHE 29 CO 0.04 0.18 0.41 0.00 -0.60 0.00 0.00 178.31 178.34 3him h ALA 30 N 1.15 1.10 0.00 2.45 0.00 -0.94 0.23 119.26 123.25 3him h ALA 30 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3him h ALA 30 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3him h ALA 30 CO -0.07 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3him h ALA 31 N 1.22 0.00 0.00 0.00 0.00 -0.39 -3.38 119.26 116.72 3him h ALA 31 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3him h ALA 31 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3him h ALA 31 CO -0.04 -0.07 -0.99 0.36 0.00 0.00 0.00 179.25 178.51 3him n LYS 32 N -4.68 0.15 0.00 0.00 2.85 0.13 -5.08 118.16 111.53 3him n LYS 32 Ca -0.10 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 3him n LYS 32 Cb 0.41 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 3him n LYS 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3him n GLY 33 N 1.44 -0.87 0.10 2.58 0.00 0.07 -4.47 105.19 104.03 3him n GLY 33 Ca 0.03 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 3him n GLY 33 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3him h TYR 34 N 0.00 0.22 -0.29 1.61 3.20 -1.87 -3.04 116.97 116.80 3him h TYR 34 Ca 0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3him h TYR 34 Cb 0.00 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3him h TYR 34 CO 0.00 0.26 0.09 0.78 -1.64 0.00 0.00 178.16 177.65 3him h GLY 35 N 0.12 0.44 1.62 1.82 0.00 -1.93 -2.74 103.07 102.40 3him h GLY 35 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3him h GLY 35 CO -0.01 0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.73 3him n ALA 36 N -2.49 2.38 -2.55 3.60 0.00 -1.15 -4.84 120.51 115.46 3him n ALA 36 Ca 0.01 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 3him n ALA 36 Cb 0.15 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 3him n ALA 36 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3him s THR 37 N -2.62 3.24 0.29 0.00 -4.23 -1.04 -4.98 115.64 106.30 3him s THR 37 Ca 0.25 -1.31 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 3him s THR 37 Cb 0.19 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 3him s THR 37 CO 0.44 0.12 0.07 0.42 -0.54 0.00 0.00 174.62 175.13 3him s THR 38 N -1.19 3.41 0.29 3.99 -4.23 -1.26 -5.00 115.64 111.65 3him s THR 38 Ca 0.20 -1.77 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 3him s THR 38 Cb -0.11 -2.96 0.20 0.00 1.34 0.00 0.00 72.50 70.97 3him s THR 38 CO 0.13 -0.30 1.89 0.71 -0.54 0.00 0.00 174.62 176.50 3him h THR 39 N 1.71 0.77 -0.30 3.99 1.35 -1.98 -2.47 112.91 115.98 3him h THR 39 Ca -0.45 -1.04 0.05 0.00 -0.55 0.00 0.00 66.41 64.42 3him h THR 39 Cb 1.25 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 69.27 3him h THR 39 CO 0.61 0.25 0.05 0.03 -0.25 0.00 0.00 175.52 176.21 3him h ARG 40 N 0.00 0.15 -0.56 4.72 -0.00 -1.98 0.14 114.38 116.84 3him h ARG 40 Ca -0.00 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 3him h ARG 40 Cb 0.62 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.54 3him h ARG 40 CO 0.03 0.10 0.02 0.93 0.00 0.00 0.00 179.97 181.05 3him h GLU 41 N 0.15 0.95 -0.77 0.04 5.08 -1.86 0.26 114.58 118.43 3him h GLU 41 Ca 0.14 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3him h GLU 41 Cb 0.16 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3him h GLU 41 CO -0.20 0.93 0.26 0.82 -1.00 0.00 0.00 179.01 179.82 3him h ILE 42 N 0.88 1.26 -0.43 3.13 2.04 -1.18 0.30 117.51 123.51 3him h ILE 42 Ca 0.17 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3him h ILE 42 Cb 0.49 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3him h ILE 42 CO 0.02 0.36 0.09 0.00 0.00 0.00 0.00 178.15 178.62 3him h ALA 43 N 1.14 0.57 -0.60 1.87 0.00 -0.38 -2.87 119.26 119.00 3him h ALA 43 Ca 0.25 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3him h ALA 43 Cb 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3him h ALA 43 CO -0.01 0.27 0.30 0.00 0.00 0.00 0.00 179.25 179.81 3him h ALA 44 N 0.95 0.78 0.00 0.00 0.00 -0.14 -0.51 119.26 120.34 3him h ALA 44 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3him h ALA 44 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3him h ALA 44 CO 0.00 -0.06 -0.18 0.66 0.00 0.00 0.00 179.25 179.67 3him h SER 45 N 0.55 0.00 -0.27 0.00 4.64 -0.24 -0.53 113.55 117.70 3him h SER 45 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3him h SER 45 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3him h SER 45 CO -0.20 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 3him n LEU 46 N -4.21 2.62 -2.82 5.97 4.77 -0.93 -4.93 117.00 117.47 3him n LEU 46 Ca -0.02 -1.10 -0.14 0.00 -0.03 0.00 0.00 56.01 54.71 3him n LEU 46 Cb 0.25 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3him n LEU 46 CO 0.35 0.55 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.21 3him n ASP 47 N 0.95 -3.22 -4.79 -1.43 2.03 -0.21 -4.95 116.55 104.93 3him n ASP 47 Ca 0.18 0.02 -0.36 0.00 0.52 0.00 0.00 54.79 55.15 3him n ASP 47 Cb 0.48 -2.74 -0.06 0.00 -0.72 0.00 0.00 41.12 38.08 3him n ASP 47 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3him s MET 48 N -5.41 4.37 0.81 -0.67 -1.94 -0.31 -5.00 119.30 111.15 3him s MET 48 Ca 0.16 1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 55.35 3him s MET 48 Cb -0.08 -2.57 0.08 0.00 2.01 0.00 0.00 34.83 34.27 3him s MET 48 CO 0.19 0.08 1.13 -1.54 -0.01 0.00 0.00 175.02 174.88 3him s SER 49 N -1.75 3.90 0.34 3.03 1.04 -1.26 -4.45 113.70 114.55 3him s SER 49 Ca 0.55 2.07 -0.29 0.00 0.48 0.00 0.00 55.95 58.77 3him s SER 49 Cb -0.17 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.28 3him s SER 49 CO 0.22 -2.45 1.53 -2.65 0.98 0.00 0.00 173.24 170.87 3him n PRO 50 N -3.56 2.67 -0.58 4.02 -0.02 -1.26 -2.36 135.00 133.91 3him n PRO 50 Ca 0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3him n PRO 50 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3him n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3him n GLY 51 N 1.17 0.91 0.22 -1.23 0.00 -1.26 -4.91 105.19 100.09 3him n GLY 51 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3him n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3him h ALA 52 N 0.00 1.10 -0.04 4.61 0.00 -1.82 -3.16 119.26 119.95 3him h ALA 52 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3him h ALA 52 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3him h ALA 52 CO 0.00 0.32 -0.48 0.28 0.00 0.00 0.00 179.25 179.37 3him h VAL 53 N 0.00 1.43 -0.78 0.00 2.07 -1.91 -3.39 116.25 113.67 3him h VAL 53 Ca -0.00 -1.93 0.17 0.00 0.82 0.00 0.00 66.70 65.76 3him h VAL 53 Cb 0.70 2.47 -0.11 0.00 -1.52 0.00 0.00 31.29 32.82 3him h VAL 53 CO 0.03 0.56 0.23 0.22 0.02 0.00 0.00 177.57 178.64 3him h TYR 54 N -0.11 0.37 0.00 1.57 3.20 -1.63 0.33 116.97 120.71 3him h TYR 54 Ca -0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3him h TYR 54 Cb 1.17 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 3him h TYR 54 CO 0.14 -0.07 -0.01 -1.35 -1.64 0.00 0.00 178.16 175.23 3him h PRO 55 N 0.31 0.00 0.03 1.82 0.11 -1.76 -3.06 132.00 129.45 3him h PRO 55 Ca 0.45 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.28 3him h PRO 55 Cb 0.79 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3him h PRO 55 CO -0.51 0.01 -1.56 0.72 -0.21 0.00 0.00 178.00 176.45 3him n HIS 56 N -4.18 0.98 -3.77 0.65 8.25 0.17 -4.89 115.22 112.44 3him n HIS 56 Ca -0.03 0.36 -0.29 0.00 -0.26 0.00 0.00 57.72 57.50 3him n HIS 56 Cb 0.10 -1.11 -0.16 0.00 1.12 0.00 0.00 29.99 29.94 3him n HIS 56 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3him s TYR 57 N -2.42 1.45 -0.38 4.41 2.02 0.93 -5.00 117.35 118.36 3him s TYR 57 Ca -0.28 -1.27 0.27 0.00 -0.37 0.00 0.00 57.07 55.41 3him s TYR 57 Cb 0.07 -1.32 0.86 0.00 -0.40 0.00 0.00 41.96 41.17 3him s TYR 57 CO 0.63 -0.72 1.77 0.87 -1.57 0.00 0.00 175.55 176.53 3him h LYS 58 N 8.15 0.00 -4.20 -0.62 1.57 -1.80 -3.30 116.57 116.37 3him h LYS 58 Ca -0.16 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 3him h LYS 58 Cb 1.08 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.21 3him h LYS 58 CO 0.39 0.00 -0.69 0.95 -0.57 0.00 0.00 179.45 179.53 3him s THR 59 N -3.33 0.23 0.25 -0.16 -4.23 -1.26 -4.99 115.64 102.16 3him s THR 59 Ca 0.06 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3him s THR 59 Cb 0.09 -1.04 0.24 0.00 1.34 0.00 0.00 72.50 73.13 3him s THR 59 CO 0.56 -0.78 1.88 0.50 -0.54 0.00 0.00 174.62 176.24 3him h LYS 60 N 3.74 1.11 -0.92 3.99 3.64 -1.99 -2.90 116.57 123.24 3him h LYS 60 Ca -0.33 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 3him h LYS 60 Cb 1.17 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 3him h LYS 60 CO 0.56 0.73 0.60 1.49 -2.27 0.00 0.00 179.45 180.56 3him h GLU 61 N 1.14 1.02 -0.01 1.90 4.22 -1.96 -1.27 114.58 119.63 3him h GLU 61 Ca 0.39 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.70 3him h GLU 61 Cb 0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3him h GLU 61 CO -0.14 0.67 -0.32 0.66 -2.18 0.00 0.00 179.01 177.70 3him h SER 62 N 1.05 0.02 -0.07 1.04 4.64 -1.92 0.14 113.55 118.44 3him h SER 62 Ca 0.39 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.58 3him h SER 62 Cb 0.19 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3him h SER 62 CO -0.15 0.34 -0.47 0.25 -0.87 0.00 0.00 176.83 175.93 3him h LEU 63 N 0.01 0.53 -0.53 5.97 5.85 -1.31 -1.13 115.31 124.71 3him h LEU 63 Ca -0.00 -0.67 0.07 0.00 0.84 0.00 0.00 57.88 58.12 3him h LEU 63 Cb 0.58 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3him h LEU 63 CO 0.04 1.12 0.20 0.25 -0.34 0.00 0.00 178.44 179.71 3him h LEU 64 N -0.02 0.21 -0.19 2.25 5.85 -0.98 -0.47 115.31 121.96 3him h LEU 64 Ca -0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3him h LEU 64 Cb 1.13 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3him h LEU 64 CO 0.10 0.14 0.12 0.22 -0.34 0.00 0.00 178.44 178.68 3him h TYR 65 N 0.38 0.25 -0.34 1.25 3.20 -0.69 -0.26 116.97 120.76 3him h TYR 65 Ca 0.26 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3him h TYR 65 Cb 0.28 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3him h TYR 65 CO -0.16 0.18 0.05 0.00 -1.64 0.00 0.00 178.16 176.59 3him h ALA 66 N 1.04 1.45 -0.03 1.82 0.00 -0.90 -0.51 119.26 122.12 3him h ALA 66 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3him h ALA 66 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3him h ALA 66 CO -0.01 0.40 -0.02 0.82 0.00 0.00 0.00 179.25 180.44 3him h ILE 67 N 0.50 1.34 -0.60 0.00 2.04 -0.74 -2.13 117.51 117.92 3him h ILE 67 Ca 0.11 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.00 3him h ILE 67 Cb 0.25 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 3him h ILE 67 CO 0.00 0.28 0.32 -1.28 0.00 0.00 0.00 178.15 177.47 3him h SER 68 N -0.33 0.47 -0.33 1.72 0.87 -0.87 -0.83 113.55 114.25 3him h SER 68 Ca 0.01 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3him h SER 68 Cb 0.46 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3him h SER 68 CO 0.01 0.31 0.20 0.25 -0.53 0.00 0.00 176.83 177.07 3him h LEU 69 N 0.60 0.39 0.06 2.23 5.85 -1.11 0.13 115.31 123.46 3him h LEU 69 Ca 0.27 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3him h LEU 69 Cb 0.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3him h LEU 69 CO -0.18 0.31 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.13 3him h GLU 70 N 0.43 -0.07 -0.62 1.25 4.81 -1.13 -1.44 114.58 117.80 3him h GLU 70 Ca 0.12 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3him h GLU 70 Cb -0.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3him h GLU 70 CO -0.02 -0.00 0.24 0.78 -0.73 0.00 0.00 179.01 179.27 3him h GLY 71 N -0.13 1.00 1.34 1.92 0.00 -0.83 -1.54 103.07 104.84 3him h GLY 71 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3him h GLY 71 CO 0.01 0.52 0.02 0.45 0.00 0.00 0.00 176.54 177.54 3him h HIS 72 N 0.87 0.85 -0.25 5.60 3.86 -0.72 -2.15 115.15 123.20 3him h HIS 72 Ca 0.21 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 3him h HIS 72 Cb 0.22 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3him h HIS 72 CO 0.01 0.78 -0.39 0.45 0.86 0.00 0.00 177.93 179.64 3him h HIS 73 N 0.75 0.69 -0.17 2.45 -0.00 -0.92 -2.63 115.15 115.33 3him h HIS 73 Ca 0.15 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 3him h HIS 73 Cb 0.43 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 3him h HIS 73 CO 0.02 0.88 0.00 1.03 -0.00 0.00 0.00 177.93 179.87 3him h SER 74 N 0.48 0.29 -0.15 2.45 0.87 -1.08 0.57 113.55 116.97 3him h SER 74 Ca 0.04 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 3him h SER 74 Cb 0.89 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 3him h SER 74 CO 0.08 0.52 -0.32 1.62 -0.53 0.00 0.00 176.83 178.20 3him h VAL 75 N 0.05 1.28 -0.22 2.23 3.04 -1.43 -0.20 116.25 121.00 3him h VAL 75 Ca 0.05 -1.45 -0.02 0.00 -1.01 0.00 0.00 66.70 64.26 3him h VAL 75 Cb 0.37 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3him h VAL 75 CO 0.01 0.47 0.04 0.25 -1.01 0.00 0.00 177.57 177.33 3him h LEU 76 N 0.55 0.35 -0.90 3.16 5.85 -1.40 -1.64 115.31 121.29 3him h LEU 76 Ca 0.06 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3him h LEU 76 Cb 0.82 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3him h LEU 76 CO 0.07 0.51 0.56 0.00 -0.34 0.00 0.00 178.44 179.24 3him h ALA 77 N 0.85 1.28 -0.12 1.25 0.00 -0.73 0.49 119.26 122.28 3him h ALA 77 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3him h ALA 77 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3him h ALA 77 CO 0.00 0.25 0.05 0.00 0.00 0.00 0.00 179.25 179.56 3him h ALA 78 N 1.45 0.15 0.00 0.00 0.00 -0.76 -0.13 119.26 119.97 3him h ALA 78 Ca 0.41 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3him h ALA 78 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3him h ALA 78 CO -0.21 -0.28 -0.85 -0.84 0.00 0.00 0.00 179.25 177.08 3him h ILE 79 N 0.05 1.55 0.01 0.00 3.07 -1.09 -2.53 117.51 118.57 3him h ILE 79 Ca 0.04 -2.96 -0.00 0.00 1.55 0.00 0.00 64.86 63.49 3him h ILE 79 Cb 0.14 2.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 3him h ILE 79 CO -0.00 0.83 -0.01 0.74 -1.05 0.00 0.00 178.15 178.66 3him h THR 80 N 0.00 1.08 -0.02 0.16 2.02 -0.87 -1.82 112.91 113.46 3him h THR 80 Ca -0.01 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3him h THR 80 Cb 1.56 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3him h THR 80 CO 0.11 0.07 0.04 0.00 0.37 0.00 0.00 175.52 176.11 3him h ALA 81 N 0.85 1.30 -0.03 6.16 0.00 -0.96 -1.14 119.26 125.44 3him h ALA 81 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3him h ALA 81 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3him h ALA 81 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3him n ALA 82 N -2.19 2.54 -2.81 0.00 0.00 -0.83 -4.88 120.51 112.34 3him n ALA 82 Ca -0.02 -0.52 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 3him n ALA 82 Cb 0.12 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 3him n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3him s ASP 83 N -1.98 6.00 -0.39 0.00 2.15 -0.43 -3.90 116.67 118.12 3him s ASP 83 Ca 0.35 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.70 3him s ASP 83 Cb 0.21 -1.87 0.13 0.00 -0.30 0.00 0.00 42.92 41.08 3him s ASP 83 CO 0.32 0.40 0.20 -0.36 -0.17 0.00 0.00 175.17 175.56 3him s PHE 84 N -0.99 1.75 0.66 -5.34 0.08 -1.26 -4.98 117.98 107.90 3him s PHE 84 Ca 0.15 -2.15 0.38 0.00 0.12 0.00 0.00 56.93 55.43 3him s PHE 84 Cb -0.12 -1.72 2.08 0.00 -0.57 0.00 0.00 43.02 42.69 3him s PHE 84 CO 0.04 -0.81 2.18 -1.35 -0.10 0.00 0.00 175.22 175.18 3him h PRO 85 N 7.10 0.00 -0.03 0.24 0.11 -1.97 -1.09 132.00 136.37 3him h PRO 85 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3him h PRO 85 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3him h PRO 85 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 3him n ASP 86 N -3.06 2.19 -4.94 -2.05 8.00 -1.26 -4.93 116.55 110.50 3him n ASP 86 Ca -0.02 -1.73 -0.19 0.00 0.71 0.00 0.00 54.79 53.56 3him n ASP 86 Cb 0.21 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 3him n ASP 86 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3him s ILE 87 N -1.99 3.00 0.56 0.53 -4.36 -0.41 -5.08 121.20 113.44 3him s ILE 87 Ca 0.33 -1.18 -0.21 0.00 -0.26 0.00 0.00 60.65 59.33 3him s ILE 87 Cb 0.21 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 3him s ILE 87 CO 0.32 -0.03 1.34 0.00 0.24 0.00 0.00 174.94 176.81 3him s ALA 88 N -2.38 2.77 0.20 2.27 0.00 -1.26 -4.80 121.76 118.56 3him s ALA 88 Ca 0.50 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 3him s ALA 88 Cb -0.07 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.63 3him s ALA 88 CO 0.30 -1.38 1.77 0.00 0.00 0.00 0.00 175.76 176.45 3him h ALA 89 N 1.35 0.98 -0.97 0.00 0.00 -1.90 -1.97 119.26 116.75 3him h ALA 89 Ca -0.51 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.26 3him h ALA 89 Cb 1.30 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3him h ALA 89 CO 0.57 0.59 0.63 -1.35 0.00 0.00 0.00 179.25 179.69 3him h PRO 90 N 1.08 1.16 -0.38 0.00 0.11 -1.91 0.03 132.00 132.09 3him h PRO 90 Ca 0.25 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3him h PRO 90 Cb 0.19 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3him h PRO 90 CO -0.02 0.77 0.10 -0.44 -0.21 0.00 0.00 178.00 178.19 3him h ASP 91 N 1.19 0.58 -0.91 -2.05 3.32 -1.83 -1.39 116.42 115.32 3him h ASP 91 Ca 0.40 -0.23 0.11 0.00 0.02 0.00 0.00 57.03 57.33 3him h ASP 91 Cb 0.06 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.38 3him h ASP 91 CO -0.14 0.66 0.55 0.03 -1.72 0.00 0.00 179.24 178.62 3him h ARG 92 N 0.47 0.86 -0.44 3.56 3.08 -0.91 -0.35 114.38 120.66 3him h ARG 92 Ca 0.12 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3him h ARG 92 Cb 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3him h ARG 92 CO 0.00 0.57 -0.06 1.25 -1.07 0.00 0.00 179.97 180.66 3him h LEU 93 N 0.89 0.73 -0.08 3.04 5.85 -0.55 -0.12 115.31 125.07 3him h LEU 93 Ca 0.45 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3him h LEU 93 Cb 0.43 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3him h LEU 93 CO -0.26 0.84 -0.11 0.24 -0.34 0.00 0.00 178.44 178.80 3him h MET 94 N 0.70 0.21 -0.48 1.25 2.86 -0.68 -0.72 114.93 118.08 3him h MET 94 Ca 0.13 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3him h MET 94 Cb 0.51 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3him h MET 94 CO 0.03 0.68 0.22 1.03 1.06 0.00 0.00 176.91 179.93 3him h SER 95 N -0.25 0.63 0.11 1.22 0.87 -0.99 -2.19 113.55 112.96 3him h SER 95 Ca 0.01 -0.14 -0.23 0.00 -1.23 0.00 0.00 61.79 60.20 3him h SER 95 Cb 0.66 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3him h SER 95 CO 0.03 0.59 -0.89 0.71 -0.53 0.00 0.00 176.83 176.73 3him h THR 96 N 0.63 1.33 -0.40 2.23 1.35 -0.98 -2.33 112.91 114.74 3him h THR 96 Ca 0.16 -2.22 -0.04 0.00 -0.55 0.00 0.00 66.41 63.76 3him h THR 96 Cb 0.13 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 3him h THR 96 CO -0.02 0.68 0.07 0.58 -0.25 0.00 0.00 175.52 176.58 3him h VAL 97 N 0.36 1.24 -0.51 6.82 2.07 -1.15 -0.01 116.25 125.06 3him h VAL 97 Ca -0.08 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3him h VAL 97 Cb 1.52 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3him h VAL 97 CO 0.17 0.29 0.18 0.74 0.02 0.00 0.00 177.57 178.97 3him h THR 98 N 0.50 0.82 -0.51 2.57 2.02 -1.38 0.11 112.91 117.04 3him h THR 98 Ca 0.12 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3him h THR 98 Cb 0.36 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3him h THR 98 CO 0.01 0.06 -0.09 0.00 0.37 0.00 0.00 175.52 175.87 3him h ALA 99 N 1.34 0.71 -0.44 6.16 0.00 -1.27 -1.24 119.26 124.51 3him h ALA 99 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3him h ALA 99 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3him h ALA 99 CO -0.25 0.60 0.18 -0.92 0.00 0.00 0.00 179.25 178.86 3him h TYR 100 N 0.84 0.67 -0.19 0.00 3.20 -0.33 -0.81 116.97 120.35 3him h TYR 100 Ca 0.13 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3him h TYR 100 Cb 0.65 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3him h TYR 100 CO 0.05 0.57 -0.10 0.28 -1.64 0.00 0.00 178.16 177.31 3him h VAL 101 N 0.57 1.31 -0.34 1.81 2.07 -0.70 -2.88 116.25 118.09 3him h VAL 101 Ca 0.15 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3him h VAL 101 Cb 0.18 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3him h VAL 101 CO -0.01 0.35 0.14 0.74 0.02 0.00 0.00 177.57 178.81 3him h THR 102 N 0.09 1.18 -0.48 2.57 2.02 -1.16 -1.49 112.91 115.66 3him h THR 102 Ca 0.04 -0.56 0.09 0.00 0.77 0.00 0.00 66.41 66.75 3him h THR 102 Cb 0.59 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 3him h THR 102 CO 0.03 0.20 0.03 -0.25 0.37 0.00 0.00 175.52 175.90 3him h TRP 103 N 0.41 0.02 -0.68 3.16 7.01 -1.17 0.20 115.95 124.90 3him h TRP 103 Ca 0.12 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 3him h TRP 103 Cb 0.18 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 3him h TRP 103 CO -0.01 -0.08 0.22 0.45 -2.79 0.00 0.00 178.44 176.24 3him h HIS 104 N 0.15 1.07 -0.42 2.65 3.86 -1.23 0.23 115.15 121.45 3him h HIS 104 Ca 0.24 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 3him h HIS 104 Cb 0.35 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3him h HIS 104 CO -0.28 0.85 -0.04 0.00 0.86 0.00 0.00 177.93 179.31 3him h ALA 105 N 1.23 0.57 0.00 2.45 0.00 -0.89 -3.05 119.26 119.57 3him h ALA 105 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3him h ALA 105 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3him h ALA 105 CO -0.01 0.40 -0.22 -0.44 0.00 0.00 0.00 179.25 178.98 3him h ASP 106 N 0.60 0.00 -0.36 0.00 3.32 -0.08 -3.33 116.42 116.56 3him h ASP 106 Ca 0.11 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.89 3him h ASP 106 Cb 0.55 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.81 3him h ASP 106 CO 0.03 0.22 -0.81 0.59 -1.72 0.00 0.00 179.24 177.56 3him n ASN 107 N -3.35 2.82 -0.20 6.45 3.02 0.76 -4.94 115.26 119.83 3him n ASN 107 Ca 0.00 -3.25 -0.07 0.00 -0.03 0.00 0.00 54.58 51.23 3him n ASN 107 Cb 0.45 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3him n ASN 107 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3him h ARG 108 N 1.74 0.84 0.03 3.52 0.11 -1.65 0.23 114.38 119.19 3him h ARG 108 Ca 0.09 -0.13 0.03 0.00 0.10 0.00 0.00 59.98 60.06 3him h ARG 108 Cb 1.38 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 3him h ARG 108 CO 0.34 0.70 -0.22 0.00 0.10 0.00 0.00 179.97 180.88 3him h ALA 109 N 1.10 -0.32 -0.57 0.08 0.00 -1.89 0.27 119.26 117.93 3him h ALA 109 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3him h ALA 109 Cb 0.15 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3him h ALA 109 CO -0.02 -0.73 0.37 1.03 0.00 0.00 0.00 179.25 179.90 3him h SER 110 N -0.37 0.66 -0.71 0.00 0.87 -1.80 -1.95 113.55 110.25 3him h SER 110 Ca 0.05 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3him h SER 110 Cb 0.44 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3him h SER 110 CO -0.18 0.48 0.38 0.00 -0.53 0.00 0.00 176.83 176.98 3him h ALA 111 N 1.20 0.91 -0.16 6.23 0.00 -0.61 0.54 119.26 127.36 3him h ALA 111 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3him h ALA 111 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3him h ALA 111 CO -0.04 0.43 0.09 0.00 0.00 0.00 0.00 179.25 179.72 3him h ARG 112 N 0.97 0.18 -0.01 0.00 3.08 -0.18 0.31 114.38 118.72 3him h ARG 112 Ca 0.25 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3him h ARG 112 Cb 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3him h ARG 112 CO -0.04 0.12 0.00 0.28 -1.07 0.00 0.00 179.97 179.26 3him h VAL 113 N 0.18 1.21 0.00 2.04 2.07 -1.21 -0.55 116.25 119.99 3him h VAL 113 Ca 0.07 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3him h VAL 113 Cb 0.01 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3him h VAL 113 CO -0.04 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3him n GLY 114 N -0.39 -1.22 0.01 2.17 0.00 0.17 -3.74 105.19 102.19 3him n GLY 114 Ca -0.08 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 3him n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3him n GLN 115 N -2.21 2.44 -0.09 1.61 -0.06 0.08 -4.73 117.38 114.43 3him n GLN 115 Ca 0.02 -0.01 0.12 0.00 -2.00 0.00 0.00 57.00 55.13 3him n GLN 115 Cb 0.21 -1.07 0.15 0.00 -4.06 0.00 0.00 30.24 25.46 3him n GLN 115 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3him n TYR 116 N -1.95 0.23 -1.06 3.69 4.02 -0.22 -4.24 117.16 117.62 3him n TYR 116 Ca -0.03 -0.11 0.05 0.00 -0.01 0.00 0.00 57.90 57.79 3him n TYR 116 Cb 0.43 -0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.82 3him n TYR 116 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3him n GLU 117 N 1.40 1.22 0.12 -0.72 -0.58 -1.25 -4.83 120.64 116.00 3him n GLU 117 Ca 0.16 -1.84 0.18 0.00 -0.42 0.00 0.00 57.16 55.24 3him n GLU 117 Cb 0.60 -1.10 0.75 0.00 -0.57 0.00 0.00 31.44 31.12 3him n GLU 117 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3him h LEU 118 N 0.00 0.00 -0.01 -4.62 3.38 -1.85 0.42 115.31 112.64 3him h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3him h LEU 118 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3him h LEU 118 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 3him n ARG 119 N -4.07 0.00 0.01 1.13 1.74 -1.26 -1.89 116.66 112.32 3him n ARG 119 Ca 0.05 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.48 3him n ARG 119 Cb 0.45 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.61 3him n ARG 119 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3him n SER 120 N -1.51 0.53 -4.79 0.55 7.64 0.15 -4.92 113.62 111.27 3him n SER 120 Ca 0.04 -0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 3him n SER 120 Cb 0.19 0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 3him n SER 120 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3him s LEU 121 N -3.24 3.75 0.73 -3.43 1.43 -0.79 -4.93 118.68 112.19 3him s LEU 121 Ca 0.10 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.05 3him s LEU 121 Cb 0.17 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.86 3him s LEU 121 CO 0.71 -0.99 1.09 -0.94 0.23 0.00 0.00 176.35 176.46 3him s SER 122 N -2.09 4.76 0.23 2.29 1.04 -1.26 -4.69 113.70 113.98 3him s SER 122 Ca 0.68 1.85 -0.06 0.00 0.48 0.00 0.00 55.95 58.90 3him s SER 122 Cb -0.18 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.79 3him s SER 122 CO 0.25 -1.87 1.77 -0.65 0.98 0.00 0.00 173.24 173.72 3him h PRO 123 N -0.76 0.55 -0.22 4.02 0.11 -1.97 0.76 132.00 134.49 3him h PRO 123 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3him h PRO 123 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3him h PRO 123 CO 0.53 0.36 0.08 1.49 -0.21 0.00 0.00 178.00 180.25 3him h GLU 124 N 0.57 0.17 -0.15 1.05 4.81 -2.00 -1.46 114.58 117.58 3him h GLU 124 Ca 0.37 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 3him h GLU 124 Cb 0.45 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3him h GLU 124 CO -0.31 0.11 -0.20 0.45 -0.73 0.00 0.00 179.01 178.34 3him h HIS 125 N 0.18 0.48 -0.57 0.92 3.86 -1.52 -2.38 115.15 116.11 3him h HIS 125 Ca 0.09 -0.16 0.12 0.00 -1.16 0.00 0.00 60.37 59.26 3him h HIS 125 Cb 0.06 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.34 3him h HIS 125 CO -0.12 0.82 -0.00 0.35 0.86 0.00 0.00 177.93 179.84 3him h PHE 126 N 0.01 -0.04 -0.12 2.45 3.57 0.54 -0.82 116.94 122.52 3him h PHE 126 Ca 0.02 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 3him h PHE 126 Cb 0.76 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3him h PHE 126 CO 0.09 -0.15 -0.40 0.00 -2.23 0.00 0.00 178.31 175.63 3him h ALA 127 N 1.52 1.10 0.25 2.41 0.00 -1.21 0.91 119.26 124.24 3him h ALA 127 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3him h ALA 127 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3him h ALA 127 CO -0.49 0.59 -0.12 0.82 0.00 0.00 0.00 179.25 180.05 3him h ILE 128 N 0.22 0.78 -0.57 0.00 1.08 -0.82 -0.60 117.51 117.61 3him h ILE 128 Ca 0.02 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.43 3him h ILE 128 Cb 0.80 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 35.36 3him h ILE 128 CO 0.06 0.03 0.26 0.40 -0.69 0.00 0.00 178.15 178.21 3him h ILE 129 N -0.40 0.88 -0.29 -0.67 1.08 -0.90 -2.11 117.51 115.12 3him h ILE 129 Ca -0.03 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 3him h ILE 129 Cb 0.30 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3him h ILE 129 CO 0.06 0.09 0.11 0.00 -0.69 0.00 0.00 178.15 177.71 3him h ALA 130 N 1.34 1.65 -0.94 1.87 0.00 -0.70 -0.46 119.26 122.02 3him h ALA 130 Ca 0.27 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3him h ALA 130 Cb 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3him h ALA 130 CO -0.22 0.28 0.60 -0.44 0.00 0.00 0.00 179.25 179.47 3him h ASP 131 N 0.40 0.97 -0.06 0.00 3.32 -0.42 -0.74 116.42 119.88 3him h ASP 131 Ca 0.10 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.94 3him h ASP 131 Cb 0.10 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.46 3him h ASP 131 CO -0.01 0.63 -0.77 0.40 -1.72 0.00 0.00 179.24 177.77 3him h ILE 132 N 1.11 1.30 -0.64 0.35 2.04 -0.89 -2.13 117.51 118.64 3him h ILE 132 Ca 0.40 -2.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.20 3him h ILE 132 Cb 0.13 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3him h ILE 132 CO -0.16 0.63 0.19 0.03 0.00 0.00 0.00 178.15 178.84 3him h ARG 133 N 0.49 1.01 -0.47 2.37 3.08 -1.10 0.80 114.38 120.55 3him h ARG 133 Ca -0.05 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3him h ARG 133 Cb 1.39 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3him h ARG 133 CO 0.15 0.89 0.29 0.00 -1.07 0.00 0.00 179.97 180.24 3him h ARG 134 N 0.94 0.57 -0.69 0.04 2.47 -1.12 0.23 114.38 116.82 3him h ARG 134 Ca 0.21 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3him h ARG 134 Cb 0.32 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 3him h ARG 134 CO -0.00 0.38 0.44 0.77 0.56 0.00 0.00 179.97 182.11 3him h SER 135 N 0.59 0.81 0.10 7.04 0.02 -1.00 0.27 113.55 121.37 3him h SER 135 Ca 0.19 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3him h SER 135 Cb -0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3him h SER 135 CO -0.07 0.60 -0.05 0.74 -1.14 0.00 0.00 176.83 176.91 3him h THR 136 N 0.94 1.03 -0.46 -2.27 2.02 -0.03 -2.91 112.91 111.24 3him h THR 136 Ca 0.25 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3him h THR 136 Cb -0.08 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3him h THR 136 CO -0.05 0.12 0.17 0.74 0.37 0.00 0.00 175.52 176.86 3him h THR 137 N -0.35 1.18 -0.89 3.16 2.02 -0.21 -2.66 112.91 115.17 3him h THR 137 Ca -0.01 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 66.68 3him h THR 137 Cb 0.29 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 3him h THR 137 CO 0.02 0.22 0.53 0.11 0.37 0.00 0.00 175.52 176.78 3him h LYS 138 N 0.65 0.88 -0.69 6.66 1.57 -0.32 -0.16 116.57 125.15 3him h LYS 138 Ca 0.16 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3him h LYS 138 Cb 0.16 -0.20 -0.11 0.00 0.08 0.00 0.00 32.23 32.16 3him h LYS 138 CO -0.01 0.58 0.13 0.28 -0.57 0.00 0.00 179.45 179.85 3him h VAL 139 N 0.90 0.52 -0.10 0.50 2.07 -1.28 1.10 116.25 119.96 3him h VAL 139 Ca 0.42 -0.08 -0.16 0.00 0.82 0.00 0.00 66.70 67.70 3him h VAL 139 Cb 0.34 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3him h VAL 139 CO -0.23 0.04 -0.56 -0.26 0.02 0.00 0.00 177.57 176.58 3him h PHE 140 N 0.23 0.76 -0.35 1.57 0.04 -1.34 -2.38 116.94 115.46 3him h PHE 140 Ca 0.38 -0.34 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3him h PHE 140 Cb 0.64 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3him h PHE 140 CO -0.29 1.13 0.03 1.79 -0.60 0.00 0.00 178.31 180.37 3him h THR 141 N 0.17 1.25 -1.00 -1.55 1.35 -0.23 0.11 112.91 113.01 3him h THR 141 Ca -0.04 -0.91 0.09 0.00 -0.55 0.00 0.00 66.41 65.00 3him h THR 141 Cb 1.21 1.16 -0.07 0.00 -1.73 0.00 0.00 68.15 68.71 3him h THR 141 CO 0.12 0.30 0.64 0.03 -0.25 0.00 0.00 175.52 176.36 3him h ARG 142 N 0.42 1.07 -0.33 4.72 -0.00 0.12 0.29 114.38 120.67 3him h ARG 142 Ca 0.10 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.40 3him h ARG 142 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 3him h ARG 142 CO 0.01 0.71 -0.26 0.82 0.00 0.00 0.00 179.97 181.25 3him h ILE 143 N 1.10 1.29 -0.45 2.04 2.04 -1.04 -1.59 117.51 120.92 3him h ILE 143 Ca 0.46 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 3him h ILE 143 Cb 0.29 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3him h ILE 143 CO -0.21 0.46 -0.01 0.40 0.00 0.00 0.00 178.15 178.79 3him h ILE 144 N 0.52 1.24 -0.11 -0.67 2.04 -0.17 -1.29 117.51 119.07 3him h ILE 144 Ca 0.06 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3him h ILE 144 Cb 0.83 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3him h ILE 144 CO 0.07 0.34 0.04 -0.33 0.00 0.00 0.00 178.15 178.27 3him h GLU 145 N 0.69 0.16 -0.77 2.37 5.08 -0.33 -0.32 114.58 121.46 3him h GLU 145 Ca 0.14 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3him h GLU 145 Cb 0.44 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3him h GLU 145 CO 0.02 0.29 0.51 0.00 -1.00 0.00 0.00 179.01 178.82 3him h ALA 146 N 0.87 1.50 -0.34 3.43 0.00 -1.12 0.06 119.26 123.66 3him h ALA 146 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3him h ALA 146 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3him h ALA 146 CO -0.00 0.44 -0.19 0.78 0.00 0.00 0.00 179.25 180.28 3him h GLY 147 N 0.99 0.79 0.80 0.00 0.00 -1.00 -1.77 103.07 102.88 3him h GLY 147 Ca 0.29 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3him h GLY 147 CO -0.08 0.66 0.00 0.00 0.00 0.00 0.00 176.54 177.13 3him h ALA 148 N 0.77 0.22 0.00 3.60 0.00 -0.71 0.75 119.26 123.89 3him h ALA 148 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3him h ALA 148 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3him h ALA 148 CO 0.05 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3him n THR 149 N -4.74 0.83 0.82 0.00 -2.24 -0.02 -1.41 114.28 107.51 3him n THR 149 Ca -0.05 0.19 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 3him n THR 149 Cb 0.21 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 3him n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3him n ALA 150 N -1.59 3.18 -0.24 6.98 0.00 -0.67 -5.01 120.51 123.16 3him n ALA 150 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3him n ALA 150 Cb 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3him n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3him n GLY 151 N 1.22 1.00 0.26 0.00 0.00 -0.50 -4.95 105.19 102.23 3him n GLY 151 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3him n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3him h ASP 152 N 0.00 0.76 -3.96 1.61 3.32 -1.12 -3.46 116.42 113.57 3him h ASP 152 Ca 0.00 -0.26 -0.69 0.00 0.02 0.00 0.00 57.03 56.10 3him h ASP 152 Cb 0.00 -0.21 -0.22 0.00 0.22 0.00 0.00 39.33 39.12 3him h ASP 152 CO 0.00 0.95 -0.86 -0.36 -1.72 0.00 0.00 179.24 177.25 3him s PHE 153 N -4.64 2.35 -0.54 4.55 0.08 -0.85 -4.39 117.98 114.54 3him s PHE 153 Ca -0.09 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.66 3him s PHE 153 Cb 0.13 -1.30 0.25 0.00 -0.57 0.00 0.00 43.02 41.53 3him s PHE 153 CO 0.83 0.30 0.65 0.72 -0.10 0.00 0.00 175.22 177.62 3him n HIS 154 N 1.09 2.05 -2.33 0.36 8.25 0.34 -4.12 115.22 120.86 3him n HIS 154 Ca -0.17 -3.92 -0.38 0.00 -0.26 0.00 0.00 57.72 52.99 3him n HIS 154 Cb 0.53 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3him n HIS 154 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3him s PRO 155 N -1.91 4.03 -0.01 -0.41 0.04 -0.97 -4.43 135.00 131.33 3him s PRO 155 Ca 0.37 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 3him s PRO 155 Cb 0.15 -2.62 -0.19 0.00 0.04 0.00 0.00 34.50 31.88 3him s PRO 155 CO -0.06 -0.32 1.29 0.74 0.04 0.00 0.00 177.00 178.69 3him h PHE 156 N 2.53 0.07 -1.79 0.56 0.04 -1.88 -3.45 116.94 113.03 3him h PHE 156 Ca -0.49 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.14 3him h PHE 156 Cb 1.23 -0.02 -0.29 0.00 2.20 0.00 0.00 35.95 39.08 3him h PHE 156 CO 0.55 0.53 -0.46 0.34 -0.60 0.00 0.00 178.31 178.67 3him s ASP 157 N -5.76 0.05 0.08 2.17 -1.08 -1.26 -5.05 116.67 105.82 3him s ASP 157 Ca -0.16 0.30 -0.20 0.00 -0.52 0.00 0.00 52.55 51.97 3him s ASP 157 Cb 0.02 1.24 -0.10 0.00 -1.46 0.00 0.00 42.92 42.62 3him s ASP 157 CO 0.69 -0.30 1.55 0.40 0.52 0.00 0.00 175.17 178.03 3him h ILE 158 N 6.16 1.22 -1.00 4.11 2.04 -2.00 -1.72 117.51 126.33 3him h ILE 158 Ca -0.20 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3him h ILE 158 Cb 1.16 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3him h ILE 158 CO 0.27 0.22 0.66 -0.08 0.00 0.00 0.00 178.15 179.22 3him h GLU 159 N 0.10 1.30 -0.43 2.37 4.81 -1.97 -1.55 114.58 119.20 3him h GLU 159 Ca 0.06 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3him h GLU 159 Cb 0.31 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3him h GLU 159 CO 0.00 0.86 0.08 0.00 -0.73 0.00 0.00 179.01 179.22 3him h ALA 160 N 1.39 0.58 -0.33 2.92 0.00 -1.91 -0.68 119.26 121.22 3him h ALA 160 Ca 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3him h ALA 160 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3him h ALA 160 CO -0.09 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.55 3him h ALA 161 N 0.95 0.43 -0.74 0.00 0.00 -1.05 -0.57 119.26 118.28 3him h ALA 161 Ca 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3him h ALA 161 Cb 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3him h ALA 161 CO 0.01 0.07 0.32 0.00 0.00 0.00 0.00 179.25 179.65 3him h ALA 162 N 0.94 0.96 0.05 0.00 0.00 -1.19 0.06 119.26 120.07 3him h ALA 162 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3him h ALA 162 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3him h ALA 162 CO -0.00 0.55 -0.12 1.25 0.00 0.00 0.00 179.25 180.92 3him h LEU 163 N 1.05 -0.35 -0.73 0.00 5.85 -1.05 -0.58 115.31 119.51 3him h LEU 163 Ca 0.25 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3him h LEU 163 Cb 0.17 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3him h LEU 163 CO -0.03 -0.18 0.48 0.00 -0.34 0.00 0.00 178.44 178.37 3him h ALA 164 N 0.68 0.92 0.10 1.25 0.00 -0.77 0.90 119.26 122.34 3him h ALA 164 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3him h ALA 164 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3him h ALA 164 CO -0.08 0.35 -0.10 0.82 0.00 0.00 0.00 179.25 180.24 3him h ILE 165 N 0.99 0.78 -0.65 0.00 2.04 -0.86 -0.64 117.51 119.16 3him h ILE 165 Ca 0.27 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.25 3him h ILE 165 Cb -0.10 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 3him h ILE 165 CO -0.06 0.00 0.16 0.74 0.00 0.00 0.00 178.15 178.99 3him h THR 166 N -0.22 0.61 -0.35 -0.27 2.02 -0.70 -1.94 112.91 112.05 3him h THR 166 Ca 0.01 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 3him h THR 166 Cb 0.21 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3him h THR 166 CO -0.03 0.05 -0.44 -1.28 0.37 0.00 0.00 175.52 174.19 3him h SER 167 N 0.28 1.00 -0.50 4.18 0.87 -0.55 -1.82 113.55 117.01 3him h SER 167 Ca 0.35 -0.49 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3him h SER 167 Cb 0.54 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3him h SER 167 CO -0.43 1.29 0.27 -0.07 -0.53 0.00 0.00 176.83 177.36 3him h LEU 168 N 0.74 0.41 -0.40 2.23 3.38 -0.58 -0.81 115.31 120.28 3him h LEU 168 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3him h LEU 168 Cb 1.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3him h LEU 168 CO 0.11 0.28 0.12 1.23 0.09 0.00 0.00 178.44 180.27 3him h GLY 169 N 0.53 0.67 0.98 0.83 0.00 -1.23 -2.73 103.07 102.13 3him h GLY 169 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3him h GLY 169 CO -0.13 0.38 0.25 -2.22 0.00 0.00 0.00 176.54 174.82 3him h ILE 170 N 0.50 1.21 0.00 2.60 2.04 -1.12 -2.71 117.51 120.02 3him h ILE 170 Ca 0.13 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3him h ILE 170 Cb 0.28 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3him h ILE 170 CO -0.00 0.24 -0.11 -0.78 0.00 0.00 0.00 178.15 177.49 3him h ASP 171 N 0.73 0.00 -1.00 1.72 3.58 -0.98 -1.43 116.42 119.04 3him h ASP 171 Ca 0.19 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.85 3him h ASP 171 Cb 0.14 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.08 3him h ASP 171 CO -0.02 0.11 0.60 0.58 -2.88 0.00 0.00 179.24 177.64 3him h VAL 172 N 0.00 0.62 0.00 2.25 2.07 -1.17 -0.18 116.25 119.84 3him h VAL 172 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3him h VAL 172 Cb 0.32 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3him h VAL 172 CO 0.01 0.12 -0.12 0.77 0.02 0.00 0.00 177.57 178.38 3him h SER 173 N 0.68 0.00 0.13 0.57 4.64 -1.39 0.15 113.55 118.33 3him h SER 173 Ca 0.61 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.92 3him h SER 173 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3him h SER 173 CO -0.43 0.12 -0.06 -0.09 -0.87 0.00 0.00 176.83 175.50 3him h ARG 174 N 0.00 -0.17 0.00 4.77 2.43 -1.17 -3.41 114.38 116.83 3him h ARG 174 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3him h ARG 174 Cb 0.27 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3him h ARG 174 CO 0.02 0.30 -1.52 -2.67 -1.51 0.00 0.00 179.97 174.59 3him n TRP 175 N -4.89 0.45 -2.67 2.20 4.27 -1.03 -4.96 117.44 110.81 3him n TRP 175 Ca -0.08 0.13 -0.41 0.00 -3.89 0.00 0.00 57.50 53.26 3him n TRP 175 Cb 0.27 -0.71 -0.05 0.00 -1.36 0.00 0.00 31.31 29.47 3him n TRP 175 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3him s PHE 176 N -3.44 3.80 0.32 -2.67 2.19 0.01 -3.57 117.98 114.62 3him s PHE 176 Ca -0.04 1.78 -0.18 0.00 0.33 0.00 0.00 56.93 58.82 3him s PHE 176 Cb 0.12 -3.10 -0.09 0.00 -1.31 0.00 0.00 43.02 38.64 3him s PHE 176 CO 0.85 0.05 0.78 -1.25 1.83 0.00 0.00 175.22 177.49 3him s PRO 177 N -0.53 4.14 0.53 10.12 0.04 -1.26 -4.94 135.00 143.11 3him s PRO 177 Ca 0.46 0.84 0.01 0.00 0.04 0.00 0.00 61.00 62.35 3him s PRO 177 Cb -0.26 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3him s PRO 177 CO 0.32 0.19 0.10 -1.54 0.04 0.00 0.00 177.00 176.12 3him s SER 178 N -2.06 4.28 0.34 6.66 1.04 0.10 -4.97 113.70 119.09 3him s SER 178 Ca 0.52 -1.60 0.03 0.00 0.48 0.00 0.00 55.95 55.39 3him s SER 178 Cb -0.12 0.63 0.64 0.00 0.10 0.00 0.00 66.02 67.27 3him s SER 178 CO 0.18 -0.97 1.96 -0.74 0.98 0.00 0.00 173.24 174.65 3him h HIS 179 N 1.14 0.85 0.09 5.02 2.76 -2.04 -3.18 115.15 119.80 3him h HIS 179 Ca -0.42 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.47 3him h HIS 179 Cb 1.32 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 3him h HIS 179 CO 1.49 0.48 -1.57 0.00 -1.30 0.00 0.00 177.93 177.04 3him h THR 180 N 0.87 1.09 -3.27 6.26 1.03 -2.00 -3.44 112.91 113.46 3him h THR 180 Ca 0.31 -2.78 -0.50 0.00 -0.01 0.00 0.00 66.41 63.43 3him h THR 180 Cb 0.11 2.68 -0.38 0.00 -1.07 0.00 0.00 68.15 69.49 3him h THR 180 CO -0.09 0.78 -0.78 -0.31 -0.01 0.00 0.00 175.52 175.11 3him s TYR 181 N -2.61 1.10 0.00 0.00 2.02 -1.20 -4.96 117.35 111.70 3him s TYR 181 Ca -0.09 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 3him s TYR 181 Cb 0.07 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3him s TYR 181 CO 0.84 -0.49 0.64 -1.13 -1.57 0.00 0.00 175.55 173.83 3him n SER 182 N 5.04 1.19 -4.24 2.29 3.41 -1.26 -0.72 113.62 119.32 3him n SER 182 Ca -0.09 -1.38 -0.34 0.00 -0.26 0.00 0.00 58.87 56.79 3him n SER 182 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 3him n SER 182 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3him s ASP 183 N -0.38 4.07 0.56 4.04 -1.08 -1.26 -4.97 116.67 117.65 3him s ASP 183 Ca 0.00 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.67 3him s ASP 183 Cb 0.00 -1.66 1.55 0.00 -1.46 0.00 0.00 42.92 41.35 3him s ASP 183 CO 0.00 -0.05 2.15 -0.65 0.52 0.00 0.00 175.17 177.14 3him h PRO 184 N 8.05 0.00 -0.09 4.34 0.11 -1.97 -1.55 132.00 140.88 3him h PRO 184 Ca -0.39 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.56 3him h PRO 184 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3him h PRO 184 CO 0.60 0.00 -0.61 0.00 -0.21 0.00 0.00 178.00 177.78 3him h ARG 185 N 0.00 0.32 0.02 1.05 2.47 -1.98 -1.24 114.38 115.03 3him h ARG 185 Ca 0.05 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3him h ARG 185 Cb 0.24 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3him h ARG 185 CO -0.00 0.83 -0.01 0.82 0.56 0.00 0.00 179.97 182.17 3him h ILE 186 N 0.24 1.37 -0.30 2.04 2.04 -1.72 -0.99 117.51 120.18 3him h ILE 186 Ca -0.01 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3him h ILE 186 Cb 1.13 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 3him h ILE 186 CO 0.10 0.31 -0.01 -0.29 0.00 0.00 0.00 178.15 178.26 3him h ILE 187 N -0.56 1.18 0.13 -0.67 6.09 -1.53 -0.73 117.51 121.42 3him h ILE 187 Ca -0.00 -0.73 -0.01 0.00 -1.37 0.00 0.00 64.86 62.75 3him h ILE 187 Cb 0.53 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.79 3him h ILE 187 CO 0.00 0.25 -0.06 0.00 -3.07 0.00 0.00 178.15 175.27 3him h ALA 188 N 1.56 -0.17 -0.73 0.18 0.00 -1.20 -0.44 119.26 118.46 3him h ALA 188 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3him h ALA 188 Cb 0.31 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3him h ALA 188 CO 0.01 -0.57 0.38 0.00 0.00 0.00 0.00 179.25 179.07 3him h ALA 189 N 0.65 1.02 -0.27 0.00 0.00 -0.64 0.14 119.26 120.16 3him h ALA 189 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3him h ALA 189 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3him h ALA 189 CO 0.03 -0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.08 3him h ARG 190 N 0.65 0.48 0.00 0.00 2.47 -0.93 -2.47 114.38 114.59 3him h ARG 190 Ca 0.36 -0.16 -0.23 0.00 -1.26 0.00 0.00 59.98 58.69 3him h ARG 190 Cb 0.35 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 3him h ARG 190 CO -0.26 0.66 -1.15 1.88 0.56 0.00 0.00 179.97 181.66 3him h TYR 191 N 0.44 0.01 -0.41 3.04 -1.99 -0.02 -2.64 116.97 115.41 3him h TYR 191 Ca 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3him h TYR 191 Cb 0.58 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 3him h TYR 191 CO 0.02 1.01 0.26 0.28 -0.00 0.00 0.00 178.16 179.73 3him h VAL 192 N 0.00 1.11 -0.43 -2.88 2.07 -0.67 -0.77 116.25 114.69 3him h VAL 192 Ca -0.07 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3him h VAL 192 Cb 1.82 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3him h VAL 192 CO 0.12 0.11 0.14 -0.33 0.02 0.00 0.00 177.57 177.64 3him h GLU 193 N 0.55 0.30 -0.55 1.57 5.08 -1.40 -1.43 114.58 118.69 3him h GLU 193 Ca 0.15 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3him h GLU 193 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3him h GLU 193 CO -0.03 0.20 0.09 -0.07 -1.00 0.00 0.00 179.01 178.20 3him h LEU 194 N 0.31 0.87 -0.28 1.33 3.38 -1.22 -2.07 115.31 117.63 3him h LEU 194 Ca 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3him h LEU 194 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3him h LEU 194 CO -0.22 0.91 0.11 0.00 0.09 0.00 0.00 178.44 179.33 3him h ALA 195 N 1.00 0.37 -0.57 1.53 0.00 -0.99 0.70 119.26 121.29 3him h ALA 195 Ca 0.17 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3him h ALA 195 Cb 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3him h ALA 195 CO 0.01 -0.03 0.29 -0.07 0.00 0.00 0.00 179.25 179.44 3him h LEU 196 N 0.31 0.40 -0.70 0.00 3.38 -1.18 -2.36 115.31 115.16 3him h LEU 196 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3him h LEU 196 Cb 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3him h LEU 196 CO -0.01 0.26 0.43 0.03 0.09 0.00 0.00 178.44 179.25 3him h ARG 197 N 0.54 0.95 -0.68 1.13 2.47 -1.13 -1.08 114.38 116.58 3him h ARG 197 Ca 0.26 -0.08 0.10 0.00 -1.26 0.00 0.00 59.98 59.01 3him h ARG 197 Cb 0.19 -0.20 -0.08 0.00 -1.65 0.00 0.00 29.97 28.23 3him h ARG 197 CO -0.19 0.66 0.29 0.52 0.56 0.00 0.00 179.97 181.81 3him h MET 198 N 0.96 0.47 -0.10 0.04 2.86 -0.35 -2.14 114.93 116.67 3him h MET 198 Ca 0.25 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3him h MET 198 Cb -0.05 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3him h MET 198 CO -0.05 0.31 0.00 1.33 1.06 0.00 0.00 176.91 179.56 3him n VAL 199 N -4.95 0.11 -1.21 -2.22 0.24 -1.02 -4.73 118.33 104.56 3him n VAL 199 Ca 0.11 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3him n VAL 199 Cb 0.30 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3him n VAL 199 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3him n GLY 200 N 1.18 1.05 3.79 7.63 0.00 -0.80 -0.50 105.19 117.54 3him n GLY 200 Ca 0.18 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3him n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3him s ALA 202 N -1.31 1.81 0.00 0.00 0.00 -1.26 -4.60 121.76 116.40 3him s ALA 202 Ca 0.39 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3him s ALA 202 Cb -0.20 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3him s ALA 202 CO 0.24 -2.32 0.00 -0.25 0.00 0.00 0.00 175.76 173.43