#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wet h ILE 4 N 0.00 1.24 -0.87 1.09 2.10 -1.99 0.13 117.51 119.21 1wet h ILE 4 Ca 0.00 -1.14 -0.01 0.00 1.08 0.00 0.00 64.86 64.80 1wet h ILE 4 Cb 0.00 1.49 -0.04 0.00 -1.09 0.00 0.00 36.82 37.18 1wet h ILE 4 CO 0.00 0.34 0.51 0.11 -1.08 0.00 0.00 178.15 178.03 1wet h LYS 5 N 0.15 1.20 -0.16 2.19 1.57 -1.99 0.27 116.57 119.78 1wet h LYS 5 Ca 0.02 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1wet h LYS 5 Cb 0.58 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wet h LYS 5 CO 0.04 0.85 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.99 1wet h ASP 6 N 1.21 0.34 -0.15 0.86 3.32 -1.44 -2.61 116.42 117.96 1wet h ASP 6 Ca 0.31 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1wet h ASP 6 Cb -0.03 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1wet h ASP 6 CO -0.06 0.67 -0.07 0.58 -1.72 0.00 0.00 179.24 178.65 1wet h VAL 7 N 0.29 1.31 -0.92 -1.35 2.07 0.11 -2.78 116.25 114.99 1wet h VAL 7 Ca 0.03 -1.10 0.18 0.00 0.82 0.00 0.00 66.70 66.64 1wet h VAL 7 Cb 0.75 1.73 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 1wet h VAL 7 CO 0.06 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.47 1wet h ALA 8 N 0.67 1.47 -0.29 1.67 0.00 -0.41 -2.23 119.26 120.14 1wet h ALA 8 Ca 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wet h ALA 8 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wet h ALA 8 CO 0.02 -0.13 0.04 -0.22 0.00 0.00 0.00 179.25 178.96 1wet h LYS 9 N 0.63 0.49 -0.16 0.00 3.64 -1.42 1.18 116.57 120.93 1wet h LYS 9 Ca 0.53 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1wet h LYS 9 Cb 0.85 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1wet h LYS 9 CO -0.41 0.61 0.04 -0.09 -2.27 0.00 0.00 179.45 177.33 1wet h ARG 10 N 0.30 0.22 0.00 1.90 9.65 -1.13 -2.10 114.38 123.22 1wet h ARG 10 Ca 0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1wet h ARG 10 Cb 0.36 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1wet h ARG 10 CO 0.01 0.21 -1.03 0.00 2.80 0.00 0.00 179.97 181.96 1wet n ALA 11 N -2.51 2.87 -3.41 2.80 0.00 -0.96 -4.97 120.51 114.34 1wet n ALA 11 Ca -0.01 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1wet n ALA 11 Cb 0.13 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.56 1wet n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wet n ASN 12 N -2.33 -6.34 -3.84 0.00 0.23 0.39 -4.92 115.26 98.46 1wet n ASN 12 Ca 0.01 -0.64 -0.08 0.00 -0.53 0.00 0.00 54.58 53.34 1wet n ASN 12 Cb 0.50 -4.11 -0.03 0.00 -2.08 0.00 0.00 39.78 34.06 1wet n ASN 12 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1wet s VAL 13 N -3.22 0.00 0.20 3.53 -7.23 -0.34 -5.02 120.40 108.32 1wet s VAL 13 Ca 0.24 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 59.09 1wet s VAL 13 Cb -0.07 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 1wet s VAL 13 CO 0.81 0.00 0.60 -0.94 -0.31 0.00 0.00 175.10 175.26 1wet s SER 14 N -2.98 6.81 0.37 4.85 1.04 -1.26 -4.18 113.70 118.35 1wet s SER 14 Ca 0.17 1.12 0.17 0.00 0.48 0.00 0.00 55.95 57.88 1wet s SER 14 Cb -0.04 -2.31 1.08 0.00 0.10 0.00 0.00 66.02 64.86 1wet s SER 14 CO 0.09 0.01 1.72 0.71 0.98 0.00 0.00 173.24 176.74 1wet h THR 15 N 2.48 0.43 -0.09 2.02 1.35 -1.90 0.99 112.91 118.19 1wet h THR 15 Ca -0.48 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.28 1wet h THR 15 Cb 1.18 0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 1wet h THR 15 CO 0.66 0.07 -0.14 0.74 -0.25 0.00 0.00 175.52 176.60 1wet h THR 16 N 0.39 0.62 -0.33 6.82 2.02 -1.97 0.66 112.91 121.13 1wet h THR 16 Ca 0.66 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.88 1wet h THR 16 Cb 1.60 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1wet h THR 16 CO -0.42 0.00 0.11 0.74 0.37 0.00 0.00 175.52 176.32 1wet h THR 17 N -0.19 0.91 0.06 3.16 2.02 0.45 0.69 112.91 120.00 1wet h THR 17 Ca 0.08 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1wet h THR 17 Cb 0.31 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1wet h THR 17 CO -0.20 0.05 -0.32 0.58 0.37 0.00 0.00 175.52 175.99 1wet h VAL 18 N 0.25 0.32 0.00 3.16 2.07 0.10 0.47 116.25 122.63 1wet h VAL 18 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1wet h VAL 18 Cb 0.12 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1wet h VAL 18 CO -0.15 0.00 -0.02 -1.28 0.02 0.00 0.00 177.57 176.14 1wet h SER 19 N -0.51 0.00 0.14 0.57 0.87 0.78 -0.09 113.55 115.31 1wet h SER 19 Ca 0.05 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.37 1wet h SER 19 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1wet h SER 19 CO -0.22 0.02 -0.95 0.45 -0.53 0.00 0.00 176.83 175.59 1wet h HIS 20 N 0.00 0.84 -0.10 2.24 -0.00 0.50 -2.98 115.15 115.66 1wet h HIS 20 Ca -0.00 -0.44 -0.18 0.00 -0.00 0.00 0.00 60.37 59.75 1wet h HIS 20 Cb 0.19 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1wet h HIS 20 CO 0.00 1.27 -0.70 -0.39 -0.00 0.00 0.00 177.93 178.11 1wet h VAL 21 N 0.34 1.36 0.00 2.45 -1.51 0.34 0.13 116.25 119.36 1wet h VAL 21 Ca -0.09 -2.05 -0.01 0.00 -1.23 0.00 0.00 66.70 63.31 1wet h VAL 21 Cb 1.59 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 32.78 1wet h VAL 21 CO 0.18 0.62 -0.04 0.40 -1.23 0.00 0.00 177.57 177.50 1wet h ILE 22 N 0.32 0.16 0.00 7.19 2.04 -1.13 -2.96 117.51 123.13 1wet h ILE 22 Ca -0.02 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1wet h ILE 22 Cb 1.27 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1wet h ILE 22 CO 0.12 0.04 -0.34 0.59 0.00 0.00 0.00 178.15 178.56 1wet n ASN 23 N -3.23 1.23 -3.95 1.72 5.03 -1.07 -5.00 115.26 109.99 1wet n ASN 23 Ca -0.01 -2.63 -0.35 0.00 0.87 0.00 0.00 54.58 52.46 1wet n ASN 23 Cb 0.22 -0.33 0.01 0.00 -1.02 0.00 0.00 39.78 38.66 1wet n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1wet n LYS 24 N -0.66 -0.49 -0.06 3.52 5.02 0.36 -4.82 118.16 121.04 1wet n LYS 24 Ca 0.09 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 1wet n LYS 24 Cb 0.71 -1.68 0.08 0.00 -0.02 0.00 0.00 35.03 34.13 1wet n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wet n THR 25 N -3.91 0.29 -3.54 -0.18 5.66 -0.67 -4.98 114.28 106.95 1wet n THR 25 Ca -0.11 -0.65 -0.08 0.00 -3.05 0.00 0.00 64.05 60.16 1wet n THR 25 Cb 0.45 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 70.23 1wet n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wet s ARG 26 N -1.00 0.68 0.29 1.09 1.70 -1.26 -5.10 118.95 115.34 1wet s ARG 26 Ca 0.17 -0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 1wet s ARG 26 Cb 0.11 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1wet s ARG 26 CO 0.16 -0.28 1.15 0.12 -1.08 0.00 0.00 175.30 175.37 1wet s PHE 27 N -2.52 3.45 -0.01 5.89 2.19 -1.26 -4.82 117.98 120.90 1wet s PHE 27 Ca 0.04 1.63 0.01 0.00 0.33 0.00 0.00 56.93 58.94 1wet s PHE 27 Cb -0.01 -3.38 0.01 0.00 -1.31 0.00 0.00 43.02 38.32 1wet s PHE 27 CO -0.06 -0.88 -0.03 0.08 1.83 0.00 0.00 175.22 176.17 1wet s VAL 28 N -1.15 0.29 0.28 3.12 1.01 -1.26 -5.09 120.40 117.59 1wet s VAL 28 Ca 0.46 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 1wet s VAL 28 Cb -0.34 -0.28 -0.14 0.00 0.00 0.00 0.00 36.38 35.62 1wet s VAL 28 CO 0.44 0.11 0.98 0.00 0.00 0.00 0.00 175.10 176.63 1wet n ALA 29 N 3.36 -0.42 0.06 5.51 0.00 -1.26 -4.61 120.51 123.15 1wet n ALA 29 Ca -0.17 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1wet n ALA 29 Cb 0.56 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1wet n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wet h GLU 30 N 1.94 -0.52 -0.71 0.00 4.81 -2.00 0.95 114.58 119.07 1wet h GLU 30 Ca -0.39 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1wet h GLU 30 Cb 1.35 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.73 1wet h GLU 30 CO 0.60 -0.34 -0.51 1.49 -0.73 0.00 0.00 179.01 179.52 1wet h GLU 31 N -0.53 -0.17 0.59 1.92 4.81 -2.00 0.44 114.58 119.63 1wet h GLU 31 Ca 0.05 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1wet h GLU 31 Cb 0.61 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wet h GLU 31 CO -0.29 -0.12 -0.32 1.15 -0.73 0.00 0.00 179.01 178.70 1wet h THR 32 N -0.18 0.34 -0.92 0.32 2.02 -1.77 -2.88 112.91 109.83 1wet h THR 32 Ca 0.16 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.61 1wet h THR 32 Cb 0.53 0.34 -0.15 0.00 -1.74 0.00 0.00 68.15 67.13 1wet h THR 32 CO -0.77 0.00 0.25 -0.09 0.37 0.00 0.00 175.52 175.27 1wet h ARG 33 N -0.85 0.15 -0.38 6.66 2.43 0.41 -0.39 114.38 122.41 1wet h ARG 33 Ca -0.08 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 1wet h ARG 33 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1wet h ARG 33 CO 0.10 0.10 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.55 1wet h ASN 34 N 0.15 0.83 -0.64 -3.80 -0.26 -0.24 -2.39 115.58 109.23 1wet h ASN 34 Ca 0.60 -0.41 0.07 0.00 -0.56 0.00 0.00 56.30 56.00 1wet h ASN 34 Cb 1.29 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 38.26 1wet h ASN 34 CO -0.72 1.06 0.34 0.00 -1.06 0.00 0.00 177.43 177.04 1wet h ALA 35 N 0.80 0.86 -0.16 -0.83 0.00 -0.88 0.52 119.26 119.57 1wet h ALA 35 Ca 0.08 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wet h ALA 35 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1wet h ALA 35 CO 0.06 -0.01 -0.03 0.28 0.00 0.00 0.00 179.25 179.55 1wet h VAL 36 N 0.61 0.86 -0.33 0.00 2.07 -1.11 -0.49 116.25 117.86 1wet h VAL 36 Ca 0.30 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.86 1wet h VAL 36 Cb 0.23 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1wet h VAL 36 CO -0.20 0.00 0.07 -0.50 0.02 0.00 0.00 177.57 176.96 1wet h TRP 37 N 0.02 0.13 -0.72 1.57 -0.00 -0.75 0.86 115.95 117.06 1wet h TRP 37 Ca 0.08 0.02 0.11 0.00 -0.00 0.00 0.00 58.89 59.10 1wet h TRP 37 Cb 0.11 -0.01 -0.12 0.00 -0.00 0.00 0.00 29.16 29.14 1wet h TRP 37 CO -0.18 0.03 -0.39 0.00 -0.00 0.00 0.00 178.44 177.90 1wet h ALA 38 N 1.24 -0.10 0.00 1.49 0.00 0.81 0.60 119.26 123.30 1wet h ALA 38 Ca 0.16 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wet h ALA 38 Cb 0.16 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wet h ALA 38 CO -0.20 -0.72 -0.00 0.00 0.00 0.00 0.00 179.25 178.33 1wet h ALA 39 N 0.97 -0.00 -1.46 0.00 0.00 -0.56 -1.73 119.26 116.48 1wet h ALA 39 Ca 0.24 -0.15 0.42 0.00 0.00 0.00 0.00 54.91 55.43 1wet h ALA 39 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1wet h ALA 39 CO -0.78 -0.36 1.05 0.82 0.00 0.00 0.00 179.25 179.98 1wet h ILE 40 N -0.29 0.27 0.00 0.00 1.08 0.38 -0.90 117.51 118.05 1wet h ILE 40 Ca -0.00 -0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 64.17 1wet h ILE 40 Cb 0.29 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.25 1wet h ILE 40 CO 0.00 0.00 -2.11 0.29 -0.69 0.00 0.00 178.15 175.64 1wet n LYS 41 N -4.11 0.67 -0.03 2.37 4.01 0.18 -1.17 118.16 120.07 1wet n LYS 41 Ca 0.32 0.06 -0.08 0.00 -0.51 0.00 0.00 58.31 58.10 1wet n LYS 41 Cb 1.51 -1.61 -0.07 0.00 -0.51 0.00 0.00 35.03 34.35 1wet n LYS 41 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1wet h GLU 42 N 0.00 -0.05 0.00 1.97 5.08 -0.34 -2.93 114.58 118.31 1wet h GLU 42 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1wet h GLU 42 Cb 2.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1wet h GLU 42 CO 0.04 0.47 0.16 1.28 -1.00 0.00 0.00 179.01 179.96 1wet n LEU 43 N -4.74 0.17 -3.41 1.33 4.77 -0.46 -4.80 117.00 109.86 1wet n LEU 43 Ca -0.06 0.48 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 1wet n LEU 43 Cb 0.26 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1wet n LEU 43 CO 0.20 -0.54 0.02 1.41 -1.33 0.00 0.00 177.39 177.15 1wet n HIS 44 N -1.68 -2.25 -2.82 -1.77 8.25 -1.11 -4.92 115.22 108.91 1wet n HIS 44 Ca -0.00 0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 57.85 1wet n HIS 44 Cb 0.17 -4.26 -0.04 0.00 1.12 0.00 0.00 29.99 26.98 1wet n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1wet s TYR 45 N -3.43 3.67 -0.29 4.41 5.04 -0.32 -5.03 117.35 121.41 1wet s TYR 45 Ca 0.31 1.58 0.03 0.00 -2.44 0.00 0.00 57.07 56.55 1wet s TYR 45 Cb -0.06 -3.00 0.08 0.00 0.35 0.00 0.00 41.96 39.33 1wet s TYR 45 CO 0.77 0.08 -0.04 0.45 -1.34 0.00 0.00 175.55 175.47 1wet s SER 46 N 0.69 4.47 0.36 4.32 0.15 -1.26 -4.96 113.70 117.48 1wet s SER 46 Ca 0.46 -1.66 -0.28 0.00 0.70 0.00 0.00 55.95 55.18 1wet s SER 46 Cb -0.21 -1.50 -0.12 0.00 -1.71 0.00 0.00 66.02 62.48 1wet s SER 46 CO 0.25 -0.27 1.33 -2.65 1.20 0.00 0.00 173.24 173.10 1wet n PRO 47 N 4.41 2.20 -3.01 5.44 -0.02 -1.26 -4.93 135.00 137.83 1wet n PRO 47 Ca -0.07 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1wet n PRO 47 Cb 0.42 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1wet n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wet s SER 48 N -0.32 6.76 0.45 2.55 0.15 -1.26 -4.91 113.70 117.12 1wet s SER 48 Ca 0.56 0.93 0.27 0.00 0.70 0.00 0.00 55.95 58.41 1wet s SER 48 Cb -0.54 -2.39 0.77 0.00 -1.71 0.00 0.00 66.02 62.15 1wet s SER 48 CO 0.62 -0.37 1.76 0.00 1.20 0.00 0.00 173.24 176.44 1wet h ALA 49 N 7.57 1.00 -0.19 5.45 0.00 -1.99 -2.54 119.26 128.56 1wet h ALA 49 Ca -0.28 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1wet h ALA 49 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1wet h ALA 49 CO 0.81 0.00 -0.51 -0.24 0.00 0.00 0.00 179.25 179.31 1wet h VAL 50 N 0.00 1.32 0.35 0.00 3.04 -1.99 0.68 116.25 119.65 1wet h VAL 50 Ca 0.00 -1.74 -0.02 0.00 -1.01 0.00 0.00 66.70 63.93 1wet h VAL 50 Cb 0.77 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1wet h VAL 50 CO 0.00 0.54 -0.17 0.00 -1.01 0.00 0.00 177.57 176.93 1wet h ALA 51 N 1.01 -0.47 -0.15 3.17 0.00 -1.94 -1.08 119.26 119.79 1wet h ALA 51 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wet h ALA 51 Cb 1.04 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1wet h ALA 51 CO 0.10 -0.69 -0.38 -0.09 0.00 0.00 0.00 179.25 178.19 1wet h ARG 52 N -0.63 -0.43 -0.85 0.00 2.43 -1.23 0.18 114.38 113.85 1wet h ARG 52 Ca -0.05 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1wet h ARG 52 Cb 0.45 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1wet h ARG 52 CO 0.08 -0.29 0.56 0.77 -1.51 0.00 0.00 179.97 179.58 1wet h SER 53 N -0.45 0.50 -0.82 -3.80 0.02 -0.87 0.66 113.55 108.79 1wet h SER 53 Ca 0.09 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1wet h SER 53 Cb 0.60 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 1wet h SER 53 CO -0.39 0.24 0.46 0.25 -1.14 0.00 0.00 176.83 176.25 1wet h LEU 54 N 0.52 0.65 0.00 5.07 5.85 0.68 0.12 115.31 128.20 1wet h LEU 54 Ca 0.43 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wet h LEU 54 Cb 0.89 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1wet h LEU 54 CO -0.17 0.36 -0.02 0.11 -0.34 0.00 0.00 178.44 178.38 1wet h LYS 55 N 0.76 0.00 0.00 1.25 1.79 0.11 -3.38 116.57 117.10 1wet h LYS 55 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1wet h LYS 55 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1wet h LYS 55 CO -0.26 0.00 0.32 -0.39 -1.08 0.00 0.00 179.45 178.04 1wet h VAL 56 N -0.09 0.00 -4.86 0.50 -1.51 -1.02 -3.46 116.25 105.82 1wet h VAL 56 Ca 0.00 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.25 1wet h VAL 56 Cb 0.02 0.51 0.14 0.00 -2.13 0.00 0.00 31.29 29.83 1wet h VAL 56 CO 0.00 0.00 -0.63 -3.20 -1.23 0.00 0.00 177.57 172.51 1wet n ASN 57 N -2.54 -4.15 -3.64 4.19 5.15 0.43 -5.03 115.26 109.67 1wet n ASN 57 Ca -0.02 -0.52 -0.03 0.00 -0.60 0.00 0.00 54.58 53.41 1wet n ASN 57 Cb 0.36 -4.11 -0.05 0.00 -0.53 0.00 0.00 39.78 35.45 1wet n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1wet s HIS 58 N -3.29 -0.09 -0.76 1.20 -3.43 -1.24 -5.06 115.29 102.61 1wet s HIS 58 Ca 0.21 0.20 0.16 0.00 -0.80 0.00 0.00 55.06 54.83 1wet s HIS 58 Cb -0.03 0.48 -0.18 0.00 -1.43 0.00 0.00 32.58 31.43 1wet s HIS 58 CO 0.57 -0.07 0.69 0.25 -2.00 0.00 0.00 174.74 174.18 1wet n THR 59 N 1.05 0.00 -3.88 -5.38 -2.24 -1.26 -4.39 114.28 98.18 1wet n THR 59 Ca -0.06 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1wet n THR 59 Cb 0.58 0.99 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 1wet n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wet n LYS 60 N -1.39 -4.28 -3.80 -0.78 3.00 -1.26 -4.92 118.16 104.73 1wet n LYS 60 Ca 0.03 0.52 -0.13 0.00 -0.00 0.00 0.00 58.31 58.73 1wet n LYS 60 Cb 0.25 -4.99 -0.13 0.00 0.00 0.00 0.00 35.03 30.17 1wet n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1wet s SER 61 N -4.08 -0.18 0.04 3.14 1.04 -1.26 -2.23 113.70 110.16 1wet s SER 61 Ca 0.19 0.37 0.07 0.00 0.48 0.00 0.00 55.95 57.06 1wet s SER 61 Cb -0.10 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1wet s SER 61 CO 0.85 -0.08 -0.21 0.27 0.98 0.00 0.00 173.24 175.05 1wet s ILE 62 N 0.31 1.68 -0.12 -1.02 -5.25 0.20 -0.97 121.20 116.02 1wet s ILE 62 Ca -0.02 -1.17 -0.02 0.00 -0.99 0.00 0.00 60.65 58.46 1wet s ILE 62 Cb -0.03 -1.45 -0.03 0.00 2.95 0.00 0.00 42.46 43.90 1wet s ILE 62 CO -0.01 0.24 -0.07 -0.83 -1.79 0.00 0.00 174.94 172.48 1wet s GLY 63 N -1.10 1.67 -0.48 6.27 0.00 -1.06 -0.88 107.32 111.75 1wet s GLY 63 Ca 0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 1wet s GLY 63 CO 0.01 -0.27 0.45 -2.27 0.00 0.00 0.00 173.10 171.03 1wet s LEU 64 N 0.02 5.43 -0.91 0.66 2.96 0.83 -0.35 118.68 127.33 1wet s LEU 64 Ca -0.01 -1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 52.61 1wet s LEU 64 Cb -0.14 -2.25 0.23 0.00 0.50 0.00 0.00 46.19 44.53 1wet s LEU 64 CO 0.03 -0.70 0.85 -0.22 -1.32 0.00 0.00 176.35 174.99 1wet s LEU 65 N 1.90 6.35 0.00 -0.68 2.96 -0.11 0.22 118.68 129.32 1wet s LEU 65 Ca 0.07 -3.11 -0.06 0.00 -0.22 0.00 0.00 54.13 50.81 1wet s LEU 65 Cb -0.23 -2.14 0.16 0.00 0.50 0.00 0.00 46.19 44.48 1wet s LEU 65 CO 0.08 -0.42 1.04 0.00 -1.32 0.00 0.00 176.35 175.73 1wet n ALA 66 N 3.34 -0.47 -0.12 5.97 0.00 0.17 -1.49 120.51 127.92 1wet n ALA 66 Ca 0.17 -1.71 -0.21 0.00 0.00 0.00 0.00 53.44 51.70 1wet n ALA 66 Cb 0.43 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 1wet n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wet n THR 67 N -3.12 1.51 -3.70 0.00 -1.04 -0.52 -2.15 114.28 105.26 1wet n THR 67 Ca 0.15 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 1wet n THR 67 Cb 0.53 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1wet n THR 67 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wet s SER 68 N -6.83 -0.35 0.00 8.00 1.04 -1.26 -1.46 113.70 112.85 1wet s SER 68 Ca -0.33 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1wet s SER 68 Cb 0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1wet s SER 68 CO 0.47 -1.15 0.22 -1.54 0.98 0.00 0.00 173.24 172.22 1wet n SER 69 N -0.40 0.44 0.04 7.02 3.41 -1.26 -4.76 113.62 118.12 1wet n SER 69 Ca -0.10 -0.82 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 1wet n SER 69 Cb 0.62 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 1wet n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1wet h GLU 70 N 0.00 -0.20 -3.05 4.33 4.22 -1.98 -3.34 114.58 114.56 1wet h GLU 70 Ca 0.00 0.01 -0.37 0.00 0.08 0.00 0.00 59.36 59.08 1wet h GLU 70 Cb 0.15 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1wet h GLU 70 CO 0.00 0.21 0.76 0.00 -2.18 0.00 0.00 179.01 177.80 1wet n ALA 71 N -2.61 0.13 -0.27 2.92 0.00 -1.26 -4.46 120.51 114.95 1wet n ALA 71 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1wet n ALA 71 Cb 0.25 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1wet n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wet n ALA 72 N 4.40 -0.28 -0.01 0.00 0.00 -1.26 0.71 120.51 124.07 1wet n ALA 72 Ca 0.31 0.60 -0.09 0.00 0.00 0.00 0.00 53.44 54.27 1wet n ALA 72 Cb -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1wet n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wet h TYR 73 N 0.00 -0.92 -0.31 0.00 3.20 -1.97 0.76 116.97 117.74 1wet h TYR 73 Ca 0.16 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1wet h TYR 73 Cb 0.32 0.41 -0.08 0.00 1.54 0.00 0.00 36.73 38.93 1wet h TYR 73 CO -0.64 -0.31 -0.49 0.74 -1.64 0.00 0.00 178.16 175.82 1wet h PHE 74 N -0.32 -1.46 -1.02 -3.82 0.04 -1.14 0.10 116.94 109.32 1wet h PHE 74 Ca 0.02 0.07 0.28 0.00 2.80 0.00 0.00 57.97 61.13 1wet h PHE 74 Cb 0.38 0.68 -0.13 0.00 2.20 0.00 0.00 35.95 39.08 1wet h PHE 74 CO -0.53 -0.49 0.60 0.00 -0.60 0.00 0.00 178.31 177.30 1wet h ALA 75 N 0.09 1.92 -0.29 2.45 0.00 0.62 0.18 119.26 124.22 1wet h ALA 75 Ca 0.09 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1wet h ALA 75 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wet h ALA 75 CO -0.53 -0.43 -0.01 1.05 0.00 0.00 0.00 179.25 179.34 1wet h GLU 76 N 0.47 0.52 -0.41 0.00 4.11 0.12 -2.12 114.58 117.28 1wet h GLU 76 Ca 0.67 -0.17 0.01 0.00 0.07 0.00 0.00 59.36 59.94 1wet h GLU 76 Cb 1.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1wet h GLU 76 CO -0.49 0.68 0.26 0.82 0.07 0.00 0.00 179.01 180.35 1wet h ILE 77 N 0.31 1.10 -0.52 -1.06 2.04 -0.37 -2.71 117.51 116.28 1wet h ILE 77 Ca 0.08 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1wet h ILE 77 Cb 0.45 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1wet h ILE 77 CO 0.02 0.10 0.26 0.40 0.00 0.00 0.00 178.15 178.92 1wet h ILE 78 N 0.54 0.94 -0.68 -0.67 2.04 -1.11 0.59 117.51 119.16 1wet h ILE 78 Ca 0.15 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1wet h ILE 78 Cb -0.05 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1wet h ILE 78 CO -0.04 0.09 0.46 -0.08 0.00 0.00 0.00 178.15 178.58 1wet h GLU 79 N 0.50 0.39 0.65 2.37 4.81 -1.08 0.11 114.58 122.32 1wet h GLU 79 Ca 0.24 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1wet h GLU 79 Cb 0.16 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1wet h GLU 79 CO -0.17 0.26 -0.31 0.00 -0.73 0.00 0.00 179.01 178.05 1wet h ALA 80 N 1.67 -1.01 -0.54 2.92 0.00 -0.72 -2.08 119.26 119.49 1wet h ALA 80 Ca 0.33 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1wet h ALA 80 Cb 0.73 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1wet h ALA 80 CO -0.10 -0.95 -0.11 0.28 0.00 0.00 0.00 179.25 178.37 1wet h VAL 81 N -1.05 0.47 -0.95 0.00 2.07 -0.30 0.13 116.25 116.62 1wet h VAL 81 Ca -0.09 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1wet h VAL 81 Cb 0.67 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1wet h VAL 81 CO 0.15 0.00 0.59 1.05 0.02 0.00 0.00 177.57 179.38 1wet h GLU 82 N 0.02 0.96 -0.29 1.57 -0.00 -0.79 -0.16 114.58 115.89 1wet h GLU 82 Ca 0.26 -0.06 0.06 0.00 -0.00 0.00 0.00 59.36 59.63 1wet h GLU 82 Cb 0.41 -0.22 -0.06 0.00 -0.00 0.00 0.00 28.75 28.88 1wet h GLU 82 CO -0.54 0.64 -0.08 0.87 -0.00 0.00 0.00 179.01 179.89 1wet h LYS 83 N 0.99 -0.01 -0.61 1.06 1.57 -0.03 -0.29 116.57 119.25 1wet h LYS 83 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1wet h LYS 83 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1wet h LYS 83 CO -0.23 -0.01 0.38 -0.91 -0.57 0.00 0.00 179.45 178.12 1wet h ASN 84 N -0.01 0.72 0.61 0.86 2.35 -0.49 0.20 115.58 119.82 1wet h ASN 84 Ca 0.14 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1wet h ASN 84 Cb 0.22 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.42 1wet h ASN 84 CO -0.31 0.54 -0.29 0.00 -1.65 0.00 0.00 177.43 175.72 1wet h PHE 86 N -1.00 0.79 -0.52 0.00 3.57 -0.70 0.23 116.94 119.31 1wet h PHE 86 Ca -0.08 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1wet h PHE 86 Cb 0.68 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 1wet h PHE 86 CO -0.00 0.15 0.14 -0.56 -2.23 0.00 0.00 178.31 175.81 1wet h GLN 87 N 0.60 0.29 -0.95 1.11 -0.00 -0.35 -2.72 115.11 113.10 1wet h GLN 87 Ca 0.50 -0.02 -0.53 0.00 -0.00 0.00 0.00 58.65 58.60 1wet h GLN 87 Cb 0.76 -0.06 -0.29 0.00 -0.00 0.00 0.00 27.48 27.89 1wet h GLN 87 CO -0.39 0.19 0.63 1.63 -0.00 0.00 0.00 178.83 180.89 1wet n LYS 88 N -5.07 2.34 -1.65 0.06 4.76 -0.98 -4.95 118.16 112.68 1wet n LYS 88 Ca 0.06 -3.11 -0.18 0.00 -2.87 0.00 0.00 58.31 52.21 1wet n LYS 88 Cb 0.24 -2.18 -0.07 0.00 -1.84 0.00 0.00 35.03 31.18 1wet n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wet n GLY 89 N -1.09 1.36 3.95 0.72 0.00 -0.95 -5.00 105.19 104.18 1wet n GLY 89 Ca 0.58 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1wet n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wet s TYR 90 N -2.56 3.48 -0.18 1.61 1.51 0.78 -4.89 117.35 117.09 1wet s TYR 90 Ca 0.00 0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 56.20 1wet s TYR 90 Cb 0.00 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1wet s TYR 90 CO 0.00 0.29 0.06 -0.08 -1.11 0.00 0.00 175.55 174.70 1wet s THR 91 N -2.11 4.75 -0.22 -0.71 -1.32 -0.95 -3.59 115.64 111.49 1wet s THR 91 Ca 0.37 -0.05 -0.10 0.00 -1.21 0.00 0.00 61.69 60.71 1wet s THR 91 Cb -0.10 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.72 1wet s THR 91 CO 0.32 0.47 0.13 -0.22 -2.21 0.00 0.00 174.62 173.12 1wet s LEU 92 N 0.29 4.06 -0.23 9.08 1.98 -1.26 0.60 118.68 133.19 1wet s LEU 92 Ca 0.03 0.12 -0.04 0.00 -2.89 0.00 0.00 54.13 51.35 1wet s LEU 92 Cb -0.12 -2.07 -0.01 0.00 0.66 0.00 0.00 46.19 44.65 1wet s LEU 92 CO 0.00 0.10 -0.02 -0.63 -1.89 0.00 0.00 176.35 173.92 1wet s ILE 93 N 0.81 3.48 -0.20 6.68 1.01 -0.06 -4.98 121.20 127.94 1wet s ILE 93 Ca 0.07 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1wet s ILE 93 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1wet s ILE 93 CO 0.02 0.36 0.29 -0.22 0.00 0.00 0.00 174.94 175.39 1wet s LEU 94 N 1.48 4.16 -0.08 2.97 2.96 -1.26 -0.12 118.68 128.80 1wet s LEU 94 Ca 0.05 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1wet s LEU 94 Cb -0.15 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1wet s LEU 94 CO -0.02 0.02 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.18 1wet s GLY 95 N 0.89 0.55 -0.17 7.98 0.00 0.13 -4.95 107.32 111.76 1wet s GLY 95 Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.56 1wet s GLY 95 CO 0.05 1.04 0.10 -1.31 0.00 0.00 0.00 173.10 172.98 1wet s ASN 96 N 1.87 5.98 0.00 1.64 0.02 -1.26 -0.65 114.94 122.54 1wet s ASN 96 Ca 0.04 0.22 0.07 0.00 -1.02 0.00 0.00 52.86 52.17 1wet s ASN 96 Cb -0.12 -2.00 0.12 0.00 0.02 0.00 0.00 41.25 39.26 1wet s ASN 96 CO -0.06 0.24 0.93 0.00 0.02 0.00 0.00 177.10 178.23 1wet n ALA 97 N 3.13 2.30 -3.95 0.60 0.00 -0.91 -4.99 120.51 116.70 1wet n ALA 97 Ca -0.17 -0.81 -0.29 0.00 0.00 0.00 0.00 53.44 52.17 1wet n ALA 97 Cb 0.53 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 1wet n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1wet n TRP 98 N 0.25 -0.97 -1.48 0.00 7.02 -0.53 0.41 117.44 122.13 1wet n TRP 98 Ca 0.05 0.52 -0.17 0.00 -1.02 0.00 0.00 57.50 56.88 1wet n TRP 98 Cb 0.26 -1.91 -0.07 0.00 -2.42 0.00 0.00 31.31 27.17 1wet n TRP 98 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1wet n ASN 99 N -2.06 -5.15 -4.69 -0.99 4.05 -1.26 -4.90 115.26 100.26 1wet n ASN 99 Ca -0.11 0.41 -0.39 0.00 0.45 0.00 0.00 54.58 54.95 1wet n ASN 99 Cb 0.47 -4.36 -0.06 0.00 1.23 0.00 0.00 39.78 37.06 1wet n ASN 99 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1wet s ASN 100 N -2.53 6.62 0.04 1.20 2.47 1.34 -4.98 114.94 119.10 1wet s ASN 100 Ca 0.00 0.74 -0.24 0.00 0.42 0.00 0.00 52.86 53.78 1wet s ASN 100 Cb 0.00 -2.29 -0.17 0.00 -1.45 0.00 0.00 41.25 37.34 1wet s ASN 100 CO 0.00 -0.11 1.54 0.25 -3.72 0.00 0.00 177.10 175.06 1wet h LEU 101 N 7.44 0.02 -0.41 3.21 5.85 -1.91 0.28 115.31 129.79 1wet h LEU 101 Ca -0.37 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.19 1wet h LEU 101 Cb 1.16 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1wet h LEU 101 CO 0.75 0.22 0.15 -0.33 -0.34 0.00 0.00 178.44 178.89 1wet h GLU 102 N -0.19 0.30 -0.91 1.25 4.39 -1.93 1.46 114.58 118.94 1wet h GLU 102 Ca 0.00 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1wet h GLU 102 Cb 0.21 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 1wet h GLU 102 CO -0.00 0.20 0.58 -0.22 -1.16 0.00 0.00 179.01 178.41 1wet h LYS 103 N 0.31 0.80 -0.02 2.33 1.63 -1.82 0.40 116.57 120.21 1wet h LYS 103 Ca 0.19 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 1wet h LYS 103 Cb 0.17 -0.18 0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1wet h LYS 103 CO -0.19 0.53 -0.33 -0.56 -3.45 0.00 0.00 179.45 175.45 1wet h GLN 104 N 0.82 0.25 -0.27 1.90 3.07 0.38 -1.32 115.11 119.95 1wet h GLN 104 Ca 0.44 -0.25 0.05 0.00 0.09 0.00 0.00 58.65 58.98 1wet h GLN 104 Cb 0.55 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 1wet h GLN 104 CO -0.20 0.95 0.19 0.07 0.09 0.00 0.00 178.83 179.92 1wet h ARG 105 N -0.35 0.12 -0.23 0.06 0.11 0.26 -1.08 114.38 113.27 1wet h ARG 105 Ca -0.04 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 1wet h ARG 105 Cb 1.06 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 1wet h ARG 105 CO 0.07 0.08 -0.16 0.00 0.10 0.00 0.00 179.97 180.05 1wet h ALA 106 N 1.86 0.33 -0.38 0.08 0.00 -0.07 -2.26 119.26 118.82 1wet h ALA 106 Ca 0.12 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1wet h ALA 106 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wet h ALA 106 CO -0.02 0.23 -0.39 1.88 0.00 0.00 0.00 179.25 180.96 1wet h TYR 107 N 0.22 1.13 -0.26 0.00 0.05 -0.57 -1.77 116.97 115.77 1wet h TYR 107 Ca 0.04 -0.34 0.05 0.00 0.05 0.00 0.00 58.73 58.53 1wet h TYR 107 Cb 0.69 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.12 1wet h TYR 107 CO 0.07 1.17 -0.50 -0.07 -1.05 0.00 0.00 178.16 177.79 1wet h LEU 108 N 0.76 -1.61 -0.24 3.88 3.38 -1.21 0.57 115.31 120.85 1wet h LEU 108 Ca 0.06 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1wet h LEU 108 Cb 0.98 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 1wet h LEU 108 CO 0.10 -0.43 -0.08 0.77 0.09 0.00 0.00 178.44 178.89 1wet h SER 109 N -0.47 -0.27 -0.89 -0.43 4.64 -1.31 -1.29 113.55 113.53 1wet h SER 109 Ca 0.08 0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.60 1wet h SER 109 Cb 0.63 0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.82 1wet h SER 109 CO -0.50 -0.10 0.57 0.24 -0.87 0.00 0.00 176.83 176.18 1wet h MET 110 N -0.02 0.76 0.24 4.77 2.86 -0.42 0.03 114.93 123.15 1wet h MET 110 Ca 0.12 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1wet h MET 110 Cb 0.21 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1wet h MET 110 CO -0.26 0.50 -0.12 0.52 1.06 0.00 0.00 176.91 178.62 1wet h MET 111 N 0.78 -0.31 -0.48 1.72 2.07 0.16 0.31 114.93 119.18 1wet h MET 111 Ca 0.43 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 58.12 1wet h MET 111 Cb 0.58 0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.34 1wet h MET 111 CO -0.20 -0.12 0.26 0.00 1.07 0.00 0.00 176.91 177.92 1wet h ALA 112 N 0.29 0.61 -0.60 6.32 0.00 -0.78 0.41 119.26 125.51 1wet h ALA 112 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wet h ALA 112 Cb 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1wet h ALA 112 CO 0.05 -0.08 0.37 1.96 0.00 0.00 0.00 179.25 181.56 1wet h GLN 113 N 0.51 0.72 0.00 0.00 4.20 -0.86 0.51 115.11 120.19 1wet h GLN 113 Ca 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1wet h GLN 113 Cb 0.08 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1wet h GLN 113 CO -0.13 0.47 0.00 1.63 -0.67 0.00 0.00 178.83 180.14 1wet n LYS 114 N -4.72 0.49 -3.31 1.46 4.76 0.11 -4.92 118.16 112.02 1wet n LYS 114 Ca 0.05 0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.36 1wet n LYS 114 Cb 0.07 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1wet n LYS 114 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wet n ARG 115 N -1.17 -2.28 -2.32 1.97 5.12 0.18 -4.95 116.66 113.20 1wet n ARG 115 Ca 0.14 0.81 -0.37 0.00 -1.93 0.00 0.00 57.85 56.50 1wet n ARG 115 Cb 0.14 -5.62 -0.02 0.00 -1.16 0.00 0.00 32.46 25.81 1wet n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wet s VAL 116 N -3.40 3.25 0.30 1.55 -7.23 -1.18 -4.27 120.40 109.42 1wet s VAL 116 Ca 0.44 0.92 0.20 0.00 -1.81 0.00 0.00 61.98 61.74 1wet s VAL 116 Cb -0.07 -3.46 0.18 0.00 0.56 0.00 0.00 36.38 33.59 1wet s VAL 116 CO 0.76 -0.03 1.87 0.44 -0.31 0.00 0.00 175.10 177.83 1wet h ASP 117 N 2.04 0.00 -5.04 4.85 3.32 -1.42 -3.46 116.42 116.70 1wet h ASP 117 Ca -0.49 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.57 1wet h ASP 117 Cb 1.24 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.70 1wet h ASP 117 CO 0.60 0.28 0.14 -0.83 -1.72 0.00 0.00 179.24 177.71 1wet s GLY 118 N -4.28 -0.20 -0.11 2.75 0.00 -1.26 -4.37 107.32 99.84 1wet s GLY 118 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1wet s GLY 118 CO 0.66 -0.11 -0.09 -2.27 0.00 0.00 0.00 173.10 171.29 1wet s LEU 119 N -2.86 1.32 -0.26 0.66 2.96 0.69 -2.55 118.68 118.64 1wet s LEU 119 Ca 0.08 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.51 1wet s LEU 119 Cb -0.03 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1wet s LEU 119 CO -0.02 -0.08 0.46 -0.76 -1.32 0.00 0.00 176.35 174.63 1wet s LEU 120 N 1.46 4.05 -0.16 -0.68 1.02 0.53 -1.39 118.68 123.51 1wet s LEU 120 Ca 0.01 0.43 -0.04 0.00 0.02 0.00 0.00 54.13 54.54 1wet s LEU 120 Cb -0.13 -2.56 -0.03 0.00 0.02 0.00 0.00 46.19 43.49 1wet s LEU 120 CO -0.06 -0.24 -0.03 -0.69 0.02 0.00 0.00 176.35 175.35 1wet s VAL 121 N 2.20 3.96 -0.41 -1.59 1.01 0.36 -0.94 120.40 124.99 1wet s VAL 121 Ca 0.19 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1wet s VAL 121 Cb -0.16 -2.74 0.19 0.00 0.00 0.00 0.00 36.38 33.67 1wet s VAL 121 CO 0.09 0.49 0.41 0.80 0.00 0.00 0.00 175.10 176.89 1wet n MET 122 N 3.59 0.35 0.00 2.72 1.56 -0.56 -1.00 117.12 123.78 1wet n MET 122 Ca -0.17 -3.14 0.11 0.00 -0.27 0.00 0.00 57.70 54.22 1wet n MET 122 Cb 0.52 -1.53 0.02 0.00 2.15 0.00 0.00 33.22 34.38 1wet n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1wet n SER 124 N -0.18 0.00 -4.57 0.00 7.64 -1.26 -4.74 113.62 110.51 1wet n SER 124 Ca 0.09 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 1wet n SER 124 Cb 0.45 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.54 1wet n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wet s GLU 125 N 0.00 2.50 -0.56 1.43 2.02 -1.26 -4.58 118.70 118.25 1wet s GLU 125 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.31 1wet s GLU 125 Cb 0.00 -2.46 0.23 0.00 0.10 0.00 0.00 34.13 32.00 1wet s GLU 125 CO 0.00 0.60 0.60 0.66 0.02 0.00 0.00 175.26 177.14 1wet n TYR 126 N 1.61 1.95 -0.98 1.61 4.02 -1.26 -5.02 117.16 119.09 1wet n TYR 126 Ca -0.16 -3.92 -0.31 0.00 -0.01 0.00 0.00 57.90 53.50 1wet n TYR 126 Cb 0.52 -0.42 0.13 0.00 -0.02 0.00 0.00 39.34 39.55 1wet n TYR 126 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1wet s PRO 127 N -1.68 1.64 0.22 -0.72 0.01 -1.26 -4.63 135.00 128.58 1wet s PRO 127 Ca 0.35 1.36 -0.10 0.00 0.01 0.00 0.00 61.00 62.62 1wet s PRO 127 Cb 0.11 -1.81 0.32 0.00 0.01 0.00 0.00 34.50 33.13 1wet s PRO 127 CO -0.09 -2.13 1.69 1.49 0.01 0.00 0.00 177.00 177.97 1wet h GLU 128 N -1.50 0.20 -0.18 5.54 4.22 -1.99 0.41 114.58 121.29 1wet h GLU 128 Ca -0.43 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.05 1wet h GLU 128 Cb 1.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wet h GLU 128 CO 0.46 0.13 0.20 -1.35 -2.18 0.00 0.00 179.01 176.28 1wet h PRO 129 N 0.20 0.00 0.16 0.92 0.11 -1.99 0.59 132.00 131.99 1wet h PRO 129 Ca 0.33 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.09 1wet h PRO 129 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1wet h PRO 129 CO -0.46 0.00 -1.75 1.25 -0.21 0.00 0.00 178.00 176.83 1wet h LEU 130 N 0.00 0.55 -0.74 2.35 6.46 -0.63 -2.89 115.31 120.40 1wet h LEU 130 Ca 0.08 -0.85 0.11 0.00 -0.12 0.00 0.00 57.88 57.11 1wet h LEU 130 Cb 0.49 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.16 1wet h LEU 130 CO -0.00 1.72 0.35 -0.07 -0.62 0.00 0.00 178.44 179.83 1wet h LEU 131 N 0.10 0.43 -0.04 2.25 4.07 0.12 -0.83 115.31 121.41 1wet h LEU 131 Ca -0.34 0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.72 1wet h LEU 131 Cb 2.08 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 43.81 1wet h LEU 131 CO 0.16 0.22 -0.07 0.00 -1.08 0.00 0.00 178.44 177.67 1wet h ALA 132 N 1.48 -0.04 -0.50 1.53 0.00 0.04 -2.16 119.26 119.62 1wet h ALA 132 Ca 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wet h ALA 132 Cb 0.48 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wet h ALA 132 CO -0.32 -0.55 0.30 0.52 0.00 0.00 0.00 179.25 179.20 1wet h MET 133 N -0.10 0.68 -0.58 0.00 2.86 -1.15 -2.42 114.93 114.21 1wet h MET 133 Ca 0.04 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.74 1wet h MET 133 Cb 0.16 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.59 1wet h MET 133 CO -0.10 0.50 0.05 -0.07 1.06 0.00 0.00 176.91 178.34 1wet h LEU 134 N 0.67 -0.15 -1.07 1.22 3.38 -0.93 0.17 115.31 118.59 1wet h LEU 134 Ca 0.18 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.36 1wet h LEU 134 Cb -0.01 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1wet h LEU 134 CO -0.03 -0.06 0.62 -0.08 0.09 0.00 0.00 178.44 178.98 1wet h GLU 135 N 0.17 1.04 0.00 1.13 4.81 -0.91 -0.36 114.58 120.45 1wet h GLU 135 Ca 0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1wet h GLU 135 Cb 0.47 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1wet h GLU 135 CO -0.46 0.68 0.05 0.39 -0.73 0.00 0.00 179.01 178.95 1wet n GLU 136 N -4.52 0.00 -0.04 1.92 1.02 0.59 0.09 120.64 119.69 1wet n GLU 136 Ca 0.16 0.32 0.01 0.00 -0.02 0.00 0.00 57.16 57.63 1wet n GLU 136 Cb 0.24 -1.55 0.04 0.00 -0.02 0.00 0.00 31.44 30.15 1wet n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wet n TYR 137 N -1.30 0.11 0.26 -0.32 4.02 -0.15 -4.67 117.16 115.11 1wet n TYR 137 Ca 0.00 -0.51 0.11 0.00 -0.01 0.00 0.00 57.90 57.49 1wet n TYR 137 Cb 0.05 -0.05 0.47 0.00 -0.02 0.00 0.00 39.34 39.79 1wet n TYR 137 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1wet h ARG 138 N 0.48 0.00 -0.15 -0.72 0.11 -0.30 1.42 114.38 115.22 1wet h ARG 138 Ca 0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1wet h ARG 138 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1wet h ARG 138 CO 0.00 0.00 -0.38 1.12 0.10 0.00 0.00 179.97 180.81 1wet h HIS 139 N 0.00 0.39 -3.33 4.08 2.07 -1.83 -3.39 115.15 113.13 1wet h HIS 139 Ca 0.06 -0.10 -0.56 0.00 -2.85 0.00 0.00 60.37 56.92 1wet h HIS 139 Cb 1.41 -0.09 -0.04 0.00 2.57 0.00 0.00 27.41 31.26 1wet h HIS 139 CO 0.00 0.67 0.03 -1.50 -3.07 0.00 0.00 177.93 174.07 1wet s ILE 140 N -4.22 4.74 0.59 6.12 1.10 0.49 -5.00 121.20 125.03 1wet s ILE 140 Ca -0.05 1.36 -0.20 0.00 -0.51 0.00 0.00 60.65 61.25 1wet s ILE 140 Cb 0.13 -3.98 -0.03 0.00 0.15 0.00 0.00 42.46 38.73 1wet s ILE 140 CO 0.78 0.47 1.30 -2.16 -2.11 0.00 0.00 174.94 173.23 1wet s PRO 141 N -0.62 2.89 -0.04 3.50 0.04 -1.26 -4.81 135.00 134.70 1wet s PRO 141 Ca 0.32 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1wet s PRO 141 Cb -0.20 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.41 1wet s PRO 141 CO 0.20 -1.34 0.89 0.00 0.04 0.00 0.00 177.00 176.79 1wet s MET 142 N -3.16 0.79 -0.03 4.56 0.23 -1.26 -0.22 119.30 120.21 1wet s MET 142 Ca 0.77 -0.16 -0.00 0.00 -1.03 0.00 0.00 55.69 55.27 1wet s MET 142 Cb -0.37 0.37 0.03 0.00 -1.53 0.00 0.00 34.83 33.32 1wet s MET 142 CO 0.42 -0.32 0.01 0.54 -2.03 0.00 0.00 175.02 173.64 1wet s VAL 143 N -2.52 0.09 -0.14 5.16 0.11 -0.48 -2.40 120.40 120.21 1wet s VAL 143 Ca 0.02 0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 1wet s VAL 143 Cb -0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1wet s VAL 143 CO -0.05 0.14 0.64 0.68 -3.33 0.00 0.00 175.10 173.17 1wet s VAL 144 N 1.19 5.05 -1.53 2.04 -7.23 -0.83 -0.49 120.40 118.60 1wet s VAL 144 Ca -0.08 1.25 0.18 0.00 -1.81 0.00 0.00 61.98 61.53 1wet s VAL 144 Cb -0.13 -3.96 0.63 0.00 0.56 0.00 0.00 36.38 33.47 1wet s VAL 144 CO -0.02 0.19 1.52 1.15 -0.31 0.00 0.00 175.10 177.63 1wet n MET 145 N 4.38 3.08 -0.58 4.82 0.00 -0.17 -3.34 117.12 125.31 1wet n MET 145 Ca -0.02 -2.51 0.01 0.00 0.00 0.00 0.00 57.70 55.18 1wet n MET 145 Cb 0.51 -1.70 0.01 0.00 0.00 0.00 0.00 33.22 32.03 1wet n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1wet n ASP 146 N 1.20 0.19 -4.95 3.17 5.68 -1.26 -4.83 116.55 115.75 1wet n ASP 146 Ca 0.23 -2.05 -0.23 0.00 -0.50 0.00 0.00 54.79 52.24 1wet n ASP 146 Cb 0.71 -0.22 0.01 0.00 -1.14 0.00 0.00 41.12 40.48 1wet n ASP 146 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1wet s TRP 147 N -0.12 3.29 -0.15 2.11 0.51 -1.26 -4.65 118.94 118.68 1wet s TRP 147 Ca 0.05 0.28 0.17 0.00 -2.12 0.00 0.00 56.10 54.48 1wet s TRP 147 Cb 0.05 -2.23 -0.24 0.00 -0.81 0.00 0.00 33.47 30.23 1wet s TRP 147 CO -0.02 -0.26 0.29 0.41 -0.51 0.00 0.00 176.95 176.86 1wet n GLY 148 N -2.03 -1.01 2.16 0.98 0.00 -1.26 -4.41 105.19 99.61 1wet n GLY 148 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1wet n GLY 148 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wet n GLU 149 N -2.80 0.92 -3.31 1.61 0.00 -1.26 -4.69 120.64 111.11 1wet n GLU 149 Ca -0.26 -2.21 -0.47 0.00 0.00 0.00 0.00 57.16 54.22 1wet n GLU 149 Cb 1.07 0.96 -0.02 0.00 0.00 0.00 0.00 31.44 33.45 1wet n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wet s ALA 150 N -2.63 4.01 0.61 -1.84 0.00 -1.26 -4.91 121.76 115.73 1wet s ALA 150 Ca 0.08 -3.21 0.29 0.00 0.00 0.00 0.00 51.96 49.12 1wet s ALA 150 Cb 0.00 -3.51 1.51 0.00 0.00 0.00 0.00 23.12 21.13 1wet s ALA 150 CO 0.06 -2.28 1.91 0.87 0.00 0.00 0.00 175.76 176.32 1wet h LYS 151 N 7.95 0.00 -3.48 0.00 6.56 -1.98 -3.43 116.57 122.19 1wet h LYS 151 Ca 0.06 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.55 1wet h LYS 151 Cb 1.05 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.54 1wet h LYS 151 CO 0.80 0.00 -0.31 0.00 -2.06 0.00 0.00 179.45 177.88 1wet s ALA 152 N -4.48 -0.51 -1.41 3.86 0.00 -1.26 -5.03 121.76 112.93 1wet s ALA 152 Ca -0.04 -0.21 0.26 0.00 0.00 0.00 0.00 51.96 51.97 1wet s ALA 152 Cb 0.14 0.36 0.65 0.00 0.00 0.00 0.00 23.12 24.27 1wet s ALA 152 CO 0.47 -0.43 1.50 -0.40 0.00 0.00 0.00 175.76 176.91 1wet n ASP 153 N 0.46 0.78 -2.47 0.00 5.75 -1.26 -4.21 116.55 115.59 1wet n ASP 153 Ca -0.18 -0.60 -0.32 0.00 -0.01 0.00 0.00 54.79 53.69 1wet n ASP 153 Cb 0.60 0.18 0.03 0.00 -1.03 0.00 0.00 41.12 40.91 1wet n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1wet n PHE 154 N -1.04 3.11 -3.59 2.11 -1.74 -1.26 -4.59 117.46 110.46 1wet n PHE 154 Ca 0.09 -2.68 -0.06 0.00 -0.56 0.00 0.00 57.45 54.24 1wet n PHE 154 Cb 0.34 -0.78 -0.02 0.00 1.52 0.00 0.00 39.48 40.55 1wet n PHE 154 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1wet s THR 155 N -5.04 0.00 0.08 1.97 2.01 -1.26 -4.86 115.64 108.55 1wet s THR 155 Ca 0.54 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 1wet s THR 155 Cb 0.44 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1wet s THR 155 CO -0.16 0.00 0.34 -1.81 -0.69 0.00 0.00 174.62 172.29 1wet s ASP 156 N -2.61 6.52 -0.00 3.53 1.01 -1.01 -3.94 116.67 120.16 1wet s ASP 156 Ca 0.08 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.95 1wet s ASP 156 Cb -0.01 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1wet s ASP 156 CO -0.05 0.15 -0.01 0.00 0.21 0.00 0.00 175.17 175.47 1wet s ALA 157 N -1.48 0.14 -0.18 5.23 0.00 -0.05 -1.96 121.76 123.47 1wet s ALA 157 Ca 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1wet s ALA 157 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1wet s ALA 157 CO 0.21 0.02 -0.09 0.54 0.00 0.00 0.00 175.76 176.44 1wet s VAL 158 N 0.07 3.14 -0.12 0.00 0.11 -1.21 -1.07 120.40 121.31 1wet s VAL 158 Ca -0.00 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1wet s VAL 158 Cb -0.02 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1wet s VAL 158 CO -0.00 0.47 -0.06 0.27 -3.33 0.00 0.00 175.10 172.45 1wet s ILE 159 N 1.01 3.69 -1.32 7.04 -5.25 0.14 -4.41 121.20 122.11 1wet s ILE 159 Ca -0.01 -0.45 0.28 0.00 -0.99 0.00 0.00 60.65 59.49 1wet s ILE 159 Cb -0.15 -2.57 0.31 0.00 2.95 0.00 0.00 42.46 43.00 1wet s ILE 159 CO -0.01 0.53 1.81 -0.90 -1.79 0.00 0.00 174.94 174.58 1wet n ASP 160 N 3.10 0.30 -3.63 4.36 5.68 -1.26 -0.03 116.55 125.08 1wet n ASP 160 Ca -0.18 -0.17 -0.24 0.00 -0.50 0.00 0.00 54.79 53.71 1wet n ASP 160 Cb 0.53 -0.15 0.07 0.00 -1.14 0.00 0.00 41.12 40.43 1wet n ASP 160 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1wet n ASN 161 N -1.25 -5.79 -0.16 -1.12 3.02 -1.26 -4.27 115.26 104.44 1wet n ASN 161 Ca 0.11 -0.58 0.02 0.00 -0.03 0.00 0.00 54.58 54.10 1wet n ASN 161 Cb 0.30 -4.88 0.30 0.00 -0.61 0.00 0.00 39.78 34.89 1wet n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wet h ALA 162 N 1.00 1.55 -0.45 5.41 0.00 -1.91 -2.45 119.26 122.42 1wet h ALA 162 Ca -0.57 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1wet h ALA 162 Cb 1.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wet h ALA 162 CO 0.57 0.40 -0.13 0.35 0.00 0.00 0.00 179.25 180.44 1wet h PHE 163 N 0.88 0.99 0.00 0.00 3.04 -1.87 -1.12 116.94 118.86 1wet h PHE 163 Ca 0.25 -0.22 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1wet h PHE 163 Cb -0.05 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.22 1wet h PHE 163 CO -0.00 0.99 -0.07 1.05 -2.02 0.00 0.00 178.31 178.26 1wet h GLU 164 N 0.72 0.00 -0.09 1.11 4.11 -1.77 -1.18 114.58 117.47 1wet h GLU 164 Ca 0.11 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.30 1wet h GLU 164 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1wet h GLU 164 CO 0.05 0.07 -0.89 0.78 0.07 0.00 0.00 179.01 179.09 1wet h GLY 165 N 1.70 0.85 0.67 1.06 0.00 -0.93 -1.75 103.07 104.67 1wet h GLY 165 Ca -0.00 -1.30 0.02 0.00 0.00 0.00 0.00 47.33 46.04 1wet h GLY 165 CO 0.01 1.16 -0.16 -1.33 0.00 0.00 0.00 176.54 176.22 1wet h GLY 166 N 0.50 -0.24 0.83 4.60 0.00 -0.14 -2.04 103.07 106.57 1wet h GLY 166 Ca -0.08 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1wet h GLY 166 CO 0.18 -0.15 0.49 -1.82 0.00 0.00 0.00 176.54 175.23 1wet h TYR 167 N -0.28 0.91 -0.33 5.60 3.20 -0.57 -2.12 116.97 123.37 1wet h TYR 167 Ca 0.04 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1wet h TYR 167 Cb 0.33 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1wet h TYR 167 CO -0.19 0.50 0.12 0.52 -1.64 0.00 0.00 178.16 177.48 1wet h MET 168 N 0.93 0.26 -0.13 1.82 2.86 -0.83 -1.64 114.93 118.21 1wet h MET 168 Ca 0.32 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 1wet h MET 168 Cb 0.06 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1wet h MET 168 CO -0.13 0.17 -0.12 0.00 1.06 0.00 0.00 176.91 177.90 1wet h ALA 169 N 1.21 -0.02 0.15 6.32 0.00 -0.73 -1.93 119.26 124.26 1wet h ALA 169 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wet h ALA 169 Cb 0.11 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wet h ALA 169 CO -0.15 -0.57 -0.26 0.78 0.00 0.00 0.00 179.25 179.05 1wet h GLY 170 N -0.14 -1.10 -0.82 0.00 0.00 -1.16 -2.53 103.07 97.31 1wet h GLY 170 Ca 0.09 0.53 0.15 0.00 0.00 0.00 0.00 47.33 48.09 1wet h GLY 170 CO -0.21 -0.35 -0.25 0.54 0.00 0.00 0.00 176.54 176.27 1wet n ARG 171 N -3.94 -0.12 0.15 4.80 5.12 -0.64 -0.68 116.66 121.35 1wet n ARG 171 Ca -0.05 1.28 -0.16 0.00 -1.93 0.00 0.00 57.85 56.99 1wet n ARG 171 Cb 0.22 -1.91 -0.09 0.00 -1.16 0.00 0.00 32.46 29.52 1wet n ARG 171 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1wet h TYR 172 N 0.00 -1.39 -0.89 -1.55 3.20 -0.94 0.37 116.97 115.78 1wet h TYR 172 Ca 0.35 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.42 1wet h TYR 172 Cb 0.56 0.58 -0.10 0.00 1.54 0.00 0.00 36.73 39.30 1wet h TYR 172 CO -0.67 -0.59 0.46 -0.07 -1.64 0.00 0.00 178.16 175.65 1wet h LEU 173 N -0.78 0.53 0.23 2.82 3.38 -0.60 -0.16 115.31 120.73 1wet h LEU 173 Ca -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wet h LEU 173 Cb 0.76 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1wet h LEU 173 CO -0.23 0.18 -0.11 0.40 0.09 0.00 0.00 178.44 178.78 1wet h ILE 174 N 0.60 0.80 0.00 1.22 2.04 0.19 -0.77 117.51 121.59 1wet h ILE 174 Ca 0.51 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.24 1wet h ILE 174 Cb 0.79 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1wet h ILE 174 CO -0.40 0.03 0.00 -0.62 0.00 0.00 0.00 178.15 177.16 1wet n GLU 175 N -5.20 0.47 0.00 2.37 1.02 0.11 -2.19 120.64 117.23 1wet n GLU 175 Ca -0.09 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1wet n GLU 175 Cb 0.16 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.18 1wet n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wet n ARG 176 N -1.09 1.95 0.00 3.49 5.12 -0.15 -4.90 116.66 121.08 1wet n ARG 176 Ca 0.12 -1.59 0.00 0.00 -1.93 0.00 0.00 57.85 54.45 1wet n ARG 176 Cb 0.09 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1wet n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wet n GLY 177 N 1.36 0.82 3.76 -0.13 0.00 -0.93 0.29 105.19 110.36 1wet n GLY 177 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1wet n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wet s HIS 178 N -2.00 3.73 0.00 1.61 3.76 -0.63 -0.42 115.29 121.34 1wet s HIS 178 Ca 0.00 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1wet s HIS 178 Cb 0.00 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 31.00 1wet s HIS 178 CO 0.00 0.35 0.00 0.54 -0.85 0.00 0.00 174.74 174.78 1wet n ARG 179 N 2.60 2.37 -3.96 1.40 1.74 -1.26 -4.22 116.66 115.32 1wet n ARG 179 Ca -0.05 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.72 1wet n ARG 179 Cb 0.50 -0.24 -0.14 0.00 -1.02 0.00 0.00 32.46 31.56 1wet n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1wet s GLU 180 N -0.27 1.81 0.07 5.56 2.02 -1.26 -4.84 118.70 121.79 1wet s GLU 180 Ca 0.00 -2.31 0.10 0.00 0.02 0.00 0.00 54.97 52.78 1wet s GLU 180 Cb 0.00 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1wet s GLU 180 CO 0.00 -1.04 -0.25 0.42 0.02 0.00 0.00 175.26 174.40 1wet s ILE 181 N 0.23 2.27 0.26 -1.63 1.01 -1.25 0.21 121.20 122.30 1wet s ILE 181 Ca 0.14 -1.48 0.06 0.00 0.00 0.00 0.00 60.65 59.37 1wet s ILE 181 Cb -0.23 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.25 1wet s ILE 181 CO -0.03 0.28 -0.04 -0.83 0.00 0.00 0.00 174.94 174.31 1wet s GLY 182 N -1.53 1.74 -0.07 6.18 0.00 0.11 -4.84 107.32 108.92 1wet s GLY 182 Ca 0.13 -1.86 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 1wet s GLY 182 CO 0.04 -1.79 0.16 0.54 0.00 0.00 0.00 173.10 172.05 1wet s VAL 183 N -3.13 -0.03 -0.58 1.40 0.11 0.06 -0.84 120.40 117.39 1wet s VAL 183 Ca 0.29 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.44 1wet s VAL 183 Cb 0.04 -0.25 0.15 0.00 -1.53 0.00 0.00 36.38 34.79 1wet s VAL 183 CO 0.11 0.05 0.38 -0.63 -3.33 0.00 0.00 175.10 171.67 1wet s ILE 184 N 0.81 3.48 0.87 7.04 1.01 -0.71 0.29 121.20 133.99 1wet s ILE 184 Ca -0.06 -2.88 -0.13 0.00 0.00 0.00 0.00 60.65 57.58 1wet s ILE 184 Cb -0.08 -3.31 0.12 0.00 0.01 0.00 0.00 42.46 39.21 1wet s ILE 184 CO -0.04 -0.84 1.20 -2.16 0.00 0.00 0.00 174.94 173.10 1wet s PRO 185 N 0.07 1.45 0.51 2.79 0.04 -1.16 -1.21 135.00 137.50 1wet s PRO 185 Ca 0.16 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.33 1wet s PRO 185 Cb -0.21 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1wet s PRO 185 CO -0.03 -1.94 0.63 0.20 0.04 0.00 0.00 177.00 175.91 1wet s GLY 186 N -4.51 1.92 -0.49 0.56 0.00 -1.26 0.52 107.32 104.06 1wet s GLY 186 Ca 0.65 -1.87 -0.46 0.00 0.00 0.00 0.00 44.72 43.04 1wet s GLY 186 CO 0.51 -1.66 1.64 -1.05 0.00 0.00 0.00 173.10 172.53 1wet n PRO 187 N -1.99 0.00 0.05 2.90 -0.02 -1.14 -4.48 135.00 130.31 1wet n PRO 187 Ca 0.10 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1wet n PRO 187 Cb 0.61 -1.47 0.29 0.00 -0.02 0.00 0.00 33.50 32.92 1wet n PRO 187 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wet n LEU 188 N 4.39 0.20 -0.61 2.45 4.77 -1.26 -1.83 117.00 125.11 1wet n LEU 188 Ca 0.34 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.93 1wet n LEU 188 Cb -0.06 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1wet n LEU 188 CO 0.88 -0.47 0.62 -0.62 -1.33 0.00 0.00 177.39 176.46 1wet n GLU 189 N -1.74 1.77 -4.37 3.23 4.71 -1.26 -4.17 120.64 118.81 1wet n GLU 189 Ca 0.02 -1.15 -0.26 0.00 -0.01 0.00 0.00 57.16 55.75 1wet n GLU 189 Cb 0.11 -1.27 -0.10 0.00 -1.01 0.00 0.00 31.44 29.18 1wet n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1wet s ARG 190 N -1.58 1.83 -0.01 3.49 0.52 -0.76 -4.50 118.95 117.94 1wet s ARG 190 Ca 0.21 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 1wet s ARG 190 Cb 0.11 -1.98 -0.14 0.00 0.52 0.00 0.00 34.95 33.46 1wet s ARG 190 CO 0.14 0.40 1.04 -0.97 0.02 0.00 0.00 175.30 175.93 1wet h ASN 191 N 2.82 -0.49 0.00 0.23 -1.24 -1.82 0.25 115.58 115.32 1wet h ASN 191 Ca -0.45 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.46 1wet h ASN 191 Cb 1.22 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.40 1wet h ASN 191 CO 0.53 -0.09 0.04 0.35 -1.29 0.00 0.00 177.43 176.97 1wet n THR 192 N -5.19 1.51 0.00 -3.57 -2.24 -1.26 0.11 114.28 103.63 1wet n THR 192 Ca -0.10 0.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1wet n THR 192 Cb 0.29 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1wet n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wet n GLY 193 N -1.40 0.75 0.41 3.38 0.00 -0.98 -4.24 105.19 103.12 1wet n GLY 193 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1wet n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wet h ALA 194 N -2.00 -0.76 -0.85 4.61 0.00 -0.31 -2.94 119.26 117.01 1wet h ALA 194 Ca 0.00 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1wet h ALA 194 Cb 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1wet h ALA 194 CO 0.00 -0.99 0.56 0.78 0.00 0.00 0.00 179.25 179.60 1wet h GLY 195 N -0.67 0.87 1.81 0.00 0.00 0.61 -0.74 103.07 104.95 1wet h GLY 195 Ca 0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 46.90 1wet h GLY 195 CO -0.23 0.03 -1.13 3.21 0.00 0.00 0.00 176.54 178.42 1wet h ARG 196 N 0.46 0.11 -0.51 4.80 3.08 -1.47 -2.90 114.38 117.95 1wet h ARG 196 Ca 0.43 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1wet h ARG 196 Cb 0.98 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1wet h ARG 196 CO -0.16 1.07 0.19 1.25 -1.07 0.00 0.00 179.97 181.25 1wet h LEU 197 N 0.03 0.71 -0.48 3.04 5.85 -1.02 -1.79 115.31 121.65 1wet h LEU 197 Ca -0.07 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 1wet h LEU 197 Cb 1.86 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1wet h LEU 197 CO 0.16 0.70 -0.16 0.00 -0.34 0.00 0.00 178.44 178.80 1wet h ALA 198 N 1.04 0.67 -0.60 1.25 0.00 -1.30 0.69 119.26 121.01 1wet h ALA 198 Ca 0.17 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wet h ALA 198 Cb 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1wet h ALA 198 CO -0.01 0.61 0.28 0.78 0.00 0.00 0.00 179.25 180.91 1wet h GLY 199 N 0.81 0.85 0.95 0.00 0.00 -1.28 0.66 103.07 105.06 1wet h GLY 199 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1wet h GLY 199 CO 0.06 0.07 0.08 -2.75 0.00 0.00 0.00 176.54 174.00 1wet h PHE 200 N 0.52 0.75 0.00 5.60 3.57 -1.10 -2.13 116.94 124.14 1wet h PHE 200 Ca 0.28 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1wet h PHE 200 Cb 0.25 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1wet h PHE 200 CO -0.12 0.71 0.00 1.98 -2.23 0.00 0.00 178.31 178.65 1wet h MET 201 N 0.57 0.00 0.02 1.11 4.05 0.25 -3.02 114.93 117.91 1wet h MET 201 Ca 0.13 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1wet h MET 201 Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1wet h MET 201 CO 0.01 0.00 -0.01 -0.22 0.23 0.00 0.00 176.91 176.92 1wet h LYS 202 N 0.00 -0.02 -1.01 0.39 3.64 -0.93 -2.65 116.57 115.99 1wet h LYS 202 Ca 0.00 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1wet h LYS 202 Cb 0.42 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.13 1wet h LYS 202 CO 0.00 0.57 0.60 0.00 -2.27 0.00 0.00 179.45 178.36 1wet h ALA 203 N 0.31 1.77 0.63 5.00 0.00 -1.57 0.61 119.26 126.01 1wet h ALA 203 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1wet h ALA 203 Cb 0.61 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wet h ALA 203 CO 0.00 -0.21 -0.30 0.52 0.00 0.00 0.00 179.25 179.26 1wet h MET 204 N 0.64 -0.82 -0.78 0.00 2.86 -1.47 -1.56 114.93 113.80 1wet h MET 204 Ca 0.62 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.45 1wet h MET 204 Cb 1.13 0.19 -0.09 0.00 0.06 0.00 0.00 31.60 32.88 1wet h MET 204 CO -0.44 -0.50 0.36 1.49 1.06 0.00 0.00 176.91 178.88 1wet h GLU 205 N -1.02 0.52 0.00 1.72 4.57 -0.96 0.27 114.58 119.68 1wet h GLU 205 Ca -0.09 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1wet h GLU 205 Cb 0.69 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1wet h GLU 205 CO 0.14 0.34 -0.03 0.93 -1.18 0.00 0.00 179.01 179.21 1wet h GLU 206 N 0.54 0.00 -0.12 1.92 5.08 0.41 -2.08 114.58 120.33 1wet h GLU 206 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1wet h GLU 206 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wet h GLU 206 CO -0.36 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.68 1wet n ALA 207 N -2.50 2.44 -1.73 3.43 0.00 0.66 -4.95 120.51 117.86 1wet n ALA 207 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 1wet n ALA 207 Cb 0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 1wet n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wet n MET 208 N 1.10 -0.97 -3.55 0.00 2.81 0.45 -4.99 117.12 111.98 1wet n MET 208 Ca 0.13 0.83 -0.36 0.00 -1.81 0.00 0.00 57.70 56.48 1wet n MET 208 Cb 0.49 -4.95 -0.06 0.00 -0.71 0.00 0.00 33.22 27.99 1wet n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1wet s ILE 209 N -2.55 5.07 -0.06 2.02 1.01 -0.02 -5.00 121.20 121.67 1wet s ILE 209 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1wet s ILE 209 Cb 0.00 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1wet s ILE 209 CO 0.00 0.44 -0.22 -1.59 0.00 0.00 0.00 174.94 173.56 1wet s LYS 210 N -1.49 2.54 -0.24 2.79 0.00 -1.26 -3.96 119.74 118.14 1wet s LYS 210 Ca 0.28 -0.85 -0.04 0.00 0.00 0.00 0.00 55.97 55.36 1wet s LYS 210 Cb -0.15 -2.22 -0.00 0.00 0.00 0.00 0.00 37.83 35.46 1wet s LYS 210 CO 0.15 0.44 -0.02 0.14 0.00 0.00 0.00 175.35 176.06 1wet s VAL 211 N -0.29 3.40 0.07 1.79 -7.23 -1.26 -4.95 120.40 111.93 1wet s VAL 211 Ca 0.01 -0.60 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 1wet s VAL 211 Cb -0.13 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 1wet s VAL 211 CO 0.03 0.34 1.80 -2.16 -0.31 0.00 0.00 175.10 174.79 1wet s PRO 212 N 1.46 4.16 0.62 4.82 0.04 -1.26 -4.85 135.00 139.99 1wet s PRO 212 Ca 0.04 2.49 0.26 0.00 0.04 0.00 0.00 61.00 63.84 1wet s PRO 212 Cb -0.15 -3.78 1.31 0.00 0.04 0.00 0.00 34.50 31.92 1wet s PRO 212 CO -0.02 -0.84 1.74 1.05 0.04 0.00 0.00 177.00 178.96 1wet h GLU 213 N 9.13 0.00 0.00 4.56 -0.00 -1.95 0.99 114.58 127.31 1wet h GLU 213 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1wet h GLU 213 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1wet h GLU 213 CO 0.94 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.82 1wet n SER 214 N -3.29 0.00 -0.47 3.06 3.41 -1.26 -2.62 113.62 112.44 1wet n SER 214 Ca 0.07 -0.79 0.05 0.00 -0.26 0.00 0.00 58.87 57.94 1wet n SER 214 Cb 0.73 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.76 1wet n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wet n TRP 215 N -0.94 0.15 -4.18 7.33 7.02 0.34 -4.86 117.44 122.30 1wet n TRP 215 Ca 0.15 -0.18 -0.33 0.00 -1.02 0.00 0.00 57.50 56.13 1wet n TRP 215 Cb 0.07 -0.01 -0.16 0.00 -2.42 0.00 0.00 31.31 28.79 1wet n TRP 215 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 1wet s ILE 216 N -0.90 1.99 -0.08 -0.99 -4.36 -1.08 -0.76 121.20 115.02 1wet s ILE 216 Ca 0.15 -0.90 -0.00 0.00 -0.26 0.00 0.00 60.65 59.63 1wet s ILE 216 Cb 0.09 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 42.03 1wet s ILE 216 CO 0.13 0.53 -0.04 -0.69 0.24 0.00 0.00 174.94 175.11 1wet s VAL 217 N 1.25 0.69 0.34 8.37 1.01 0.14 -4.98 120.40 127.22 1wet s VAL 217 Ca 0.03 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1wet s VAL 217 Cb -0.13 -0.75 -0.11 0.00 0.00 0.00 0.00 36.38 35.39 1wet s VAL 217 CO -0.11 0.30 1.42 -1.58 0.00 0.00 0.00 175.10 175.12 1wet s GLN 218 N 1.61 4.23 0.13 2.72 -0.44 -1.26 -2.97 119.66 123.68 1wet s GLN 218 Ca 0.01 2.40 0.00 0.00 -2.50 0.00 0.00 55.36 55.26 1wet s GLN 218 Cb -0.13 -3.03 0.00 0.00 -1.64 0.00 0.00 33.01 28.21 1wet s GLN 218 CO -0.05 -0.39 0.00 0.41 0.50 0.00 0.00 175.29 175.76 1wet n GLY 219 N 0.96 4.04 0.33 2.59 0.00 0.18 -4.90 105.19 108.38 1wet n GLY 219 Ca 0.02 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1wet n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wet n ASP 220 N -1.08 0.00 0.00 1.61 5.68 -1.26 -2.88 116.55 118.61 1wet n ASP 220 Ca -0.05 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1wet n ASP 220 Cb 0.16 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1wet n ASP 220 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1wet n PHE 221 N 0.00 0.00 -3.55 2.11 3.72 -1.26 -4.88 117.46 113.60 1wet n PHE 221 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1wet n PHE 221 Cb 0.62 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1wet n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1wet s GLU 222 N -0.01 3.86 0.31 -1.08 0.41 -1.26 -3.92 118.70 117.01 1wet s GLU 222 Ca 0.00 0.34 0.06 0.00 -0.41 0.00 0.00 54.97 54.97 1wet s GLU 222 Cb 0.00 -3.22 0.85 0.00 -1.78 0.00 0.00 34.13 29.98 1wet s GLU 222 CO 0.00 0.70 1.65 -1.00 -0.49 0.00 0.00 175.26 176.12 1wet h PRO 223 N 4.75 0.23 -0.42 0.39 0.14 -1.89 0.41 132.00 135.61 1wet h PRO 223 Ca -0.52 -0.01 0.02 0.00 0.14 0.00 0.00 66.00 65.63 1wet h PRO 223 Cb 1.22 -0.05 -0.02 0.00 0.14 0.00 0.00 31.00 32.29 1wet h PRO 223 CO 0.61 0.15 0.28 1.49 0.14 0.00 0.00 178.00 180.67 1wet h GLU 224 N 0.23 0.46 -0.61 0.86 4.57 -1.93 -1.49 114.58 116.68 1wet h GLU 224 Ca 0.62 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.75 1wet h GLU 224 Cb 1.32 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 1wet h GLU 224 CO -0.66 0.31 0.30 0.66 -1.18 0.00 0.00 179.01 178.44 1wet h SER 225 N 0.48 0.76 0.52 1.04 4.64 -0.55 -2.03 113.55 118.40 1wet h SER 225 Ca 0.17 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 1wet h SER 225 Cb 0.07 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1wet h SER 225 CO -0.04 0.64 -0.83 1.23 -0.87 0.00 0.00 176.83 176.97 1wet h GLY 226 N 0.94 0.25 0.38 -0.77 0.00 -1.31 -1.99 103.07 100.57 1wet h GLY 226 Ca 0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1wet h GLY 226 CO -0.03 0.36 -0.34 -1.82 0.00 0.00 0.00 176.54 174.71 1wet h TYR 227 N 0.13 -0.93 -0.75 5.60 3.20 -0.60 -0.27 116.97 123.35 1wet h TYR 227 Ca -0.04 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.92 1wet h TYR 227 Cb 1.43 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.99 1wet h TYR 227 CO 0.03 -0.46 0.41 0.00 -1.64 0.00 0.00 178.16 176.50 1wet h ARG 228 N -0.71 0.69 0.12 1.82 -0.00 -1.52 -2.13 114.38 112.65 1wet h ARG 228 Ca -0.05 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1wet h ARG 228 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 1wet h ARG 228 CO -0.02 0.46 -0.18 0.00 0.00 0.00 0.00 179.97 180.23 1wet h ALA 229 N 1.42 -0.81 -0.93 0.04 0.00 -1.11 0.63 119.26 118.50 1wet h ALA 229 Ca 0.36 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.38 1wet h ALA 229 Cb 0.31 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 18.43 1wet h ALA 229 CO -0.23 -0.84 -0.31 0.52 0.00 0.00 0.00 179.25 178.38 1wet h MET 230 N -0.31 -0.02 -0.05 0.00 2.86 -0.91 0.13 114.93 116.63 1wet h MET 230 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1wet h MET 230 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1wet h MET 230 CO -0.05 -0.01 -0.16 0.37 1.06 0.00 0.00 176.91 178.12 1wet h GLN 231 N -0.02 -0.16 -1.06 1.72 4.15 -1.10 0.25 115.11 118.90 1wet h GLN 231 Ca 0.38 0.01 0.28 0.00 0.77 0.00 0.00 58.65 60.10 1wet h GLN 231 Cb 0.64 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.28 1wet h GLN 231 CO -0.95 -0.10 0.71 1.96 -1.93 0.00 0.00 178.83 178.51 1wet h GLN 232 N -0.16 0.27 0.34 1.69 4.20 0.61 0.68 115.11 122.74 1wet h GLN 232 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1wet h GLN 232 Cb 0.20 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1wet h GLN 232 CO -0.13 0.18 -0.17 0.82 -0.67 0.00 0.00 178.83 178.86 1wet h ILE 233 N 0.27 0.00 0.00 2.54 2.04 0.19 -3.19 117.51 119.37 1wet h ILE 233 Ca 0.57 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1wet h ILE 233 Cb 1.69 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1wet h ILE 233 CO -0.21 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 177.87 1wet h LEU 234 N -0.92 0.00 -2.17 1.44 3.38 -0.52 -2.83 115.31 113.69 1wet h LEU 234 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1wet h LEU 234 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wet h LEU 234 CO 0.08 0.00 0.03 -1.20 0.09 0.00 0.00 178.44 177.44 1wet n SER 235 N -2.98 3.24 -4.13 -0.43 7.64 0.23 -4.85 113.62 112.35 1wet n SER 235 Ca -0.03 -2.10 -0.12 0.00 1.01 0.00 0.00 58.87 57.63 1wet n SER 235 Cb 0.07 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 1wet n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wet s GLN 236 N -0.14 0.73 0.17 1.43 -2.07 -1.07 -4.96 119.66 113.75 1wet s GLN 236 Ca 0.02 -1.13 -0.28 0.00 -1.82 0.00 0.00 55.36 52.16 1wet s GLN 236 Cb 0.02 -0.25 -0.00 0.00 -1.09 0.00 0.00 33.01 31.69 1wet s GLN 236 CO 0.00 0.01 1.52 -0.35 -1.32 0.00 0.00 175.29 175.15 1wet n PRO 237 N 0.51 -0.39 -3.87 9.60 -0.04 -1.26 -4.12 135.00 135.43 1wet n PRO 237 Ca -0.16 1.49 -0.35 0.00 -0.04 0.00 0.00 63.50 64.44 1wet n PRO 237 Cb 0.58 -2.20 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 1wet n PRO 237 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1wet s HIS 238 N -5.59 2.99 0.25 0.54 5.65 -1.26 -5.11 115.29 112.76 1wet s HIS 238 Ca -0.12 -0.84 0.11 0.00 0.25 0.00 0.00 55.06 54.46 1wet s HIS 238 Cb 0.13 -2.14 -0.05 0.00 -1.18 0.00 0.00 32.58 29.34 1wet s HIS 238 CO 0.63 -0.51 -0.19 -0.98 -0.65 0.00 0.00 174.74 173.04 1wet s ARG 239 N 1.51 1.55 0.91 2.88 1.70 -1.26 -5.02 118.95 121.23 1wet s ARG 239 Ca 0.06 -1.68 -0.12 0.00 -0.47 0.00 0.00 55.73 53.52 1wet s ARG 239 Cb -0.15 -1.59 0.14 0.00 -0.57 0.00 0.00 34.95 32.78 1wet s ARG 239 CO -0.02 0.30 1.11 -1.25 -1.08 0.00 0.00 175.30 174.36 1wet s PRO 240 N -3.42 1.13 0.00 3.89 0.05 -1.26 -4.96 135.00 130.43 1wet s PRO 240 Ca 0.26 0.55 0.21 0.00 0.05 0.00 0.00 61.00 62.07 1wet s PRO 240 Cb -0.04 -1.82 -0.19 0.00 0.05 0.00 0.00 34.50 32.51 1wet s PRO 240 CO 0.12 -2.26 0.90 0.25 0.05 0.00 0.00 177.00 176.06 1wet n THR 241 N -3.85 0.00 -3.60 1.26 -2.24 0.58 -4.95 114.28 101.47 1wet n THR 241 Ca 0.06 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1wet n THR 241 Cb 0.57 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1wet n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wet s ALA 242 N -2.84 -1.31 -0.03 6.98 0.00 -0.58 -2.33 121.76 121.64 1wet s ALA 242 Ca 0.10 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1wet s ALA 242 Cb 0.16 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1wet s ALA 242 CO 0.79 -0.43 -0.08 0.08 0.00 0.00 0.00 175.76 176.12 1wet s VAL 243 N -1.98 0.74 -0.33 0.00 1.01 0.03 -0.71 120.40 119.15 1wet s VAL 243 Ca -0.08 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1wet s VAL 243 Cb -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1wet s VAL 243 CO 0.02 0.24 0.15 0.12 0.00 0.00 0.00 175.10 175.62 1wet s PHE 244 N 0.33 3.20 -0.26 5.22 5.36 -0.02 -0.42 117.98 131.40 1wet s PHE 244 Ca -0.05 -0.87 -0.08 0.00 -0.96 0.00 0.00 56.93 54.96 1wet s PHE 244 Cb -0.10 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1wet s PHE 244 CO 0.01 -0.57 0.10 0.00 -1.46 0.00 0.00 175.22 173.30 1wet h GLY 246 N 8.26 0.00 -4.64 0.00 0.00 -1.45 -3.18 103.07 102.05 1wet h GLY 246 Ca -0.37 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1wet h GLY 246 CO 0.57 0.00 -0.14 -0.32 0.00 0.00 0.00 176.54 176.65 1wet s GLY 247 N -3.60 -0.31 0.18 4.60 0.00 -1.24 -4.59 107.32 102.37 1wet s GLY 247 Ca -0.03 0.87 -0.13 0.00 0.00 0.00 0.00 44.72 45.43 1wet s GLY 247 CO 0.38 0.64 1.83 -0.55 0.00 0.00 0.00 173.10 175.41 1wet h ASP 248 N 4.22 0.60 -0.72 1.64 3.32 -1.24 -1.06 116.42 123.19 1wet h ASP 248 Ca -0.28 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.81 1wet h ASP 248 Cb 1.17 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1wet h ASP 248 CO 0.33 0.43 0.44 0.40 -1.72 0.00 0.00 179.24 179.12 1wet h ILE 249 N 0.72 1.04 -0.69 0.35 1.08 -1.88 0.21 117.51 118.35 1wet h ILE 249 Ca 0.22 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1wet h ILE 249 Cb -0.03 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 1wet h ILE 249 CO -0.07 0.15 0.22 0.24 -0.69 0.00 0.00 178.15 178.00 1wet h MET 250 N 0.83 1.05 -0.27 2.37 2.86 -1.62 -1.61 114.93 118.53 1wet h MET 250 Ca 0.31 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1wet h MET 250 Cb 0.10 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.53 1wet h MET 250 CO -0.14 0.90 -0.17 0.00 1.06 0.00 0.00 176.91 178.55 1wet h ALA 251 N 1.22 0.03 -0.77 6.32 0.00 0.46 1.75 119.26 128.27 1wet h ALA 251 Ca 0.23 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1wet h ALA 251 Cb 0.28 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1wet h ALA 251 CO -0.01 -0.58 0.52 1.98 0.00 0.00 0.00 179.25 181.16 1wet h MET 252 N -0.15 0.36 0.17 0.00 -1.53 -0.46 1.67 114.93 114.99 1wet h MET 252 Ca 0.15 -0.02 -0.31 0.00 -3.44 0.00 0.00 59.70 56.08 1wet h MET 252 Cb 0.37 -0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1wet h MET 252 CO -0.36 0.24 -1.41 0.78 0.14 0.00 0.00 176.91 176.30 1wet h GLY 253 N 0.37 0.41 0.97 1.39 0.00 0.31 -3.08 103.07 103.45 1wet h GLY 253 Ca 0.38 -1.06 0.03 0.00 0.00 0.00 0.00 47.33 46.68 1wet h GLY 253 CO -0.12 0.93 0.64 0.00 0.00 0.00 0.00 176.54 177.99 1wet h ALA 254 N 0.40 1.35 0.42 3.60 0.00 0.54 -2.92 119.26 122.65 1wet h ALA 254 Ca -0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1wet h ALA 254 Cb 2.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1wet h ALA 254 CO 0.22 0.57 -0.46 -0.07 0.00 0.00 0.00 179.25 179.51 1wet h LEU 255 N 1.25 -1.28 -0.34 0.00 4.07 0.23 -2.63 115.31 116.61 1wet h LEU 255 Ca 0.37 0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.51 1wet h LEU 255 Cb -0.05 0.43 -0.08 0.00 1.08 0.00 0.00 40.66 42.03 1wet h LEU 255 CO -0.10 -0.60 -0.29 0.00 -1.08 0.00 0.00 178.44 176.38 1wet h ALA 257 N 0.80 1.14 -0.01 0.00 0.00 -1.49 1.15 119.26 120.85 1wet h ALA 257 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wet h ALA 257 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wet h ALA 257 CO -0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 179.25 178.66 1wet h ALA 258 N 1.52 0.01 -0.80 0.00 0.00 -1.05 0.81 119.26 119.75 1wet h ALA 258 Ca 0.42 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1wet h ALA 258 Cb 0.56 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1wet h ALA 258 CO -0.35 -0.50 0.47 0.22 0.00 0.00 0.00 179.25 179.10 1wet h ASP 259 N 0.00 0.72 0.71 0.00 3.58 -0.66 0.27 116.42 121.05 1wet h ASP 259 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1wet h ASP 259 Cb 0.01 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1wet h ASP 259 CO -0.01 0.45 0.00 -0.62 -2.88 0.00 0.00 179.24 176.18 1wet n GLU 260 N -4.70 0.20 -0.88 0.28 1.02 0.39 -1.15 120.64 115.81 1wet n GLU 260 Ca 0.12 0.44 0.02 0.00 -0.02 0.00 0.00 57.16 57.71 1wet n GLU 260 Cb 0.20 -1.89 0.34 0.00 -0.02 0.00 0.00 31.44 30.07 1wet n GLU 260 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1wet n MET 261 N -2.27 4.06 -1.40 3.49 0.00 0.64 -4.88 117.12 116.76 1wet n MET 261 Ca 0.02 -3.10 -0.14 0.00 0.00 0.00 0.00 57.70 54.49 1wet n MET 261 Cb 0.23 -2.17 -0.06 0.00 0.00 0.00 0.00 33.22 31.21 1wet n MET 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wet n GLY 262 N 0.08 1.41 3.81 3.03 0.00 -0.30 -4.97 105.19 108.26 1wet n GLY 262 Ca 0.32 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1wet n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wet s LEU 263 N -3.12 4.49 -0.17 0.99 1.02 0.60 -4.97 118.68 117.51 1wet s LEU 263 Ca 0.00 1.27 -0.12 0.00 0.02 0.00 0.00 54.13 55.30 1wet s LEU 263 Cb 0.00 -3.04 -0.05 0.00 0.02 0.00 0.00 46.19 43.12 1wet s LEU 263 CO 0.00 0.22 0.21 -0.60 0.02 0.00 0.00 176.35 176.20 1wet s ARG 264 N -1.33 4.15 -0.09 1.70 3.00 -1.26 -3.63 118.95 121.49 1wet s ARG 264 Ca 0.32 -0.06 0.04 0.00 -1.00 0.00 0.00 55.73 55.02 1wet s ARG 264 Cb -0.19 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.37 1wet s ARG 264 CO 0.20 0.32 -0.21 0.08 0.00 0.00 0.00 175.30 175.69 1wet s VAL 265 N 0.26 1.84 -2.50 7.11 1.01 -1.26 0.49 120.40 127.34 1wet s VAL 265 Ca 0.13 -0.89 0.25 0.00 0.00 0.00 0.00 61.98 61.47 1wet s VAL 265 Cb -0.12 -1.61 0.47 0.00 0.00 0.00 0.00 36.38 35.12 1wet s VAL 265 CO 0.01 0.51 1.61 -0.81 0.00 0.00 0.00 175.10 176.43 1wet n PRO 266 N 3.59 1.82 -0.07 2.72 -0.04 -1.25 -4.76 135.00 137.00 1wet n PRO 266 Ca -0.20 -1.20 0.14 0.00 -0.04 0.00 0.00 63.50 62.20 1wet n PRO 266 Cb 0.53 -1.46 0.54 0.00 -0.04 0.00 0.00 33.50 33.07 1wet n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wet h GLN 267 N 2.75 0.31 0.00 0.54 7.50 -1.90 -3.05 115.11 121.26 1wet h GLN 267 Ca 0.00 -0.02 -0.36 0.00 0.50 0.00 0.00 58.65 58.78 1wet h GLN 267 Cb 0.59 -0.07 -0.07 0.00 0.05 0.00 0.00 27.48 27.98 1wet h GLN 267 CO 0.00 0.20 -2.34 -0.25 -1.50 0.00 0.00 178.83 174.94 1wet n ASP 268 N -4.46 0.82 -3.79 1.46 8.00 1.79 -4.94 116.55 115.43 1wet n ASP 268 Ca 0.10 -0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1wet n ASP 268 Cb 0.45 0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 42.01 1wet n ASP 268 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wet s VAL 269 N -2.47 0.03 -0.01 2.53 1.01 -0.65 -4.91 120.40 115.92 1wet s VAL 269 Ca -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1wet s VAL 269 Cb 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1wet s VAL 269 CO 0.72 -0.13 0.16 -0.44 0.00 0.00 0.00 175.10 175.41 1wet s SER 270 N -0.46 6.22 -0.01 3.32 0.01 -0.98 -3.91 113.70 117.87 1wet s SER 270 Ca -0.06 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.52 1wet s SER 270 Cb -0.04 -1.92 0.01 0.00 0.21 0.00 0.00 66.02 64.28 1wet s SER 270 CO 0.01 0.27 -0.02 -0.22 0.41 0.00 0.00 173.24 173.70 1wet s LEU 271 N -1.87 1.63 -0.08 2.44 2.96 -0.13 -0.79 118.68 122.84 1wet s LEU 271 Ca 0.26 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1wet s LEU 271 Cb -0.12 -0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.39 1wet s LEU 271 CO 0.17 -0.02 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.54 1wet s ILE 272 N 0.42 1.25 0.00 6.68 2.07 0.45 -4.38 121.20 127.68 1wet s ILE 272 Ca -0.04 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1wet s ILE 272 Cb -0.07 -1.15 0.00 0.00 0.13 0.00 0.00 42.46 41.37 1wet s ILE 272 CO -0.01 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 174.02 1wet n GLY 273 N 3.97 1.86 3.37 1.50 0.00 -0.73 -0.46 105.19 114.69 1wet n GLY 273 Ca -0.21 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1wet n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wet s TYR 274 N 3.66 -0.18 0.00 1.61 6.14 -1.20 -3.61 117.35 123.77 1wet s TYR 274 Ca 0.00 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.04 1wet s TYR 274 Cb 0.00 0.11 0.00 0.00 0.42 0.00 0.00 41.96 42.49 1wet s TYR 274 CO 0.00 -0.09 0.00 -0.25 0.64 0.00 0.00 175.55 175.85 1wet n ASP 275 N 4.15 0.00 -3.24 4.32 9.92 0.11 -0.81 116.55 131.00 1wet n ASP 275 Ca -0.10 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.02 1wet n ASP 275 Cb 0.55 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.09 1wet n ASP 275 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1wet n ASN 276 N 0.00 -6.76 -4.77 -2.24 5.15 -1.06 -2.29 115.26 103.29 1wet n ASN 276 Ca 0.00 -0.64 -0.37 0.00 -0.60 0.00 0.00 54.58 52.98 1wet n ASN 276 Cb 0.00 -5.16 -0.01 0.00 -0.53 0.00 0.00 39.78 34.09 1wet n ASN 276 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wet s VAL 277 N -3.34 3.12 0.26 3.44 1.01 -1.26 -4.74 120.40 118.88 1wet s VAL 277 Ca 0.40 0.81 0.21 0.00 0.00 0.00 0.00 61.98 63.40 1wet s VAL 277 Cb -0.06 -3.40 0.31 0.00 0.00 0.00 0.00 36.38 33.24 1wet s VAL 277 CO 0.75 -0.03 0.88 0.54 0.00 0.00 0.00 175.10 177.23 1wet n ARG 278 N -0.61 -0.02 -2.31 2.72 1.74 -1.26 -1.26 116.66 115.66 1wet n ARG 278 Ca 0.08 0.69 -0.11 0.00 -0.77 0.00 0.00 57.85 57.74 1wet n ARG 278 Cb 0.48 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.57 1wet n ARG 278 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1wet n ASN 279 N -3.64 3.10 0.21 0.55 2.04 -1.26 -4.65 115.26 111.61 1wet n ASN 279 Ca 0.23 -2.89 0.09 0.00 -0.44 0.00 0.00 54.58 51.57 1wet n ASN 279 Cb 0.94 -0.41 0.36 0.00 -2.53 0.00 0.00 39.78 38.14 1wet n ASN 279 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wet h ALA 280 N 2.28 0.95 0.00 -2.53 0.00 -1.54 -2.39 119.26 116.03 1wet h ALA 280 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wet h ALA 280 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wet h ALA 280 CO 0.44 0.31 0.00 -0.09 0.00 0.00 0.00 179.25 179.91 1wet h ARG 281 N 0.00 0.00 -0.37 0.00 1.12 -1.82 -0.63 114.38 112.68 1wet h ARG 281 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1wet h ARG 281 Cb 0.88 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 1wet h ARG 281 CO 0.03 0.00 0.00 0.66 -3.11 0.00 0.00 179.97 177.55 1wet n TYR 282 N -2.29 1.03 -1.19 2.20 4.01 -0.90 -4.58 117.16 115.43 1wet n TYR 282 Ca 0.02 -0.73 -0.29 0.00 -0.16 0.00 0.00 57.90 56.73 1wet n TYR 282 Cb 0.21 -0.26 0.20 0.00 -0.31 0.00 0.00 39.34 39.19 1wet n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1wet s PHE 283 N -2.24 1.36 -0.04 -0.72 0.40 -0.28 -4.97 117.98 111.49 1wet s PHE 283 Ca 0.40 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.45 1wet s PHE 283 Cb 0.29 -3.41 0.02 0.00 0.51 0.00 0.00 43.02 40.43 1wet s PHE 283 CO 0.14 -3.32 -0.06 0.99 0.70 0.00 0.00 175.22 173.67 1wet s THR 284 N -3.06 0.62 0.18 0.64 2.01 -1.26 -3.44 115.64 111.33 1wet s THR 284 Ca 0.68 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.20 1wet s THR 284 Cb -0.13 -0.61 -0.17 0.00 0.01 0.00 0.00 72.50 71.60 1wet s THR 284 CO 0.56 0.23 0.54 -0.81 -0.69 0.00 0.00 174.62 174.46 1wet n PRO 285 N 3.81 0.00 -1.67 4.92 -0.04 -1.26 -4.95 135.00 135.82 1wet n PRO 285 Ca -0.23 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.71 1wet n PRO 285 Cb 0.52 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.92 1wet n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wet n ALA 286 N 0.12 0.20 -2.34 0.55 0.00 -1.22 -4.74 120.51 113.08 1wet n ALA 286 Ca 0.17 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 1wet n ALA 286 Cb 0.23 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 1wet n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wet s LEU 287 N 2.42 4.33 -0.22 0.00 2.96 -0.98 0.12 118.68 127.31 1wet s LEU 287 Ca 0.90 2.04 -0.19 0.00 -0.22 0.00 0.00 54.13 56.66 1wet s LEU 287 Cb -0.87 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.23 1wet s LEU 287 CO 0.52 -0.59 0.55 -0.89 -1.32 0.00 0.00 176.35 174.62 1wet s THR 288 N 1.72 5.06 0.25 3.68 2.01 -1.26 -4.34 115.64 122.76 1wet s THR 288 Ca 0.60 1.00 -0.12 0.00 0.31 0.00 0.00 61.69 63.48 1wet s THR 288 Cb -0.30 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1wet s THR 288 CO 0.27 0.12 0.47 0.28 -0.69 0.00 0.00 174.62 175.07 1wet s THR 289 N 1.99 0.00 -0.07 -0.82 -1.32 -0.93 -1.78 115.64 112.70 1wet s THR 289 Ca 0.24 -1.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.06 1wet s THR 289 Cb -0.16 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1wet s THR 289 CO 0.09 0.00 0.66 -0.63 -2.21 0.00 0.00 174.62 172.53 1wet s ILE 290 N -3.98 5.07 -0.09 5.08 -1.09 -1.24 -0.49 121.20 124.46 1wet s ILE 290 Ca 0.23 1.35 -0.16 0.00 -2.23 0.00 0.00 60.65 59.84 1wet s ILE 290 Cb -0.00 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1wet s ILE 290 CO 0.10 0.27 0.42 -2.28 -1.23 0.00 0.00 174.94 172.21 1wet s HIS 291 N 0.76 3.56 -0.21 3.97 5.65 0.21 0.07 115.29 129.29 1wet s HIS 291 Ca 0.35 0.85 -0.07 0.00 0.25 0.00 0.00 55.06 56.45 1wet s HIS 291 Cb -0.17 -2.43 -0.03 0.00 -1.18 0.00 0.00 32.58 28.76 1wet s HIS 291 CO 0.17 0.32 0.06 -1.14 -0.65 0.00 0.00 174.74 173.49 1wet s GLN 292 N 0.11 3.79 -0.66 2.88 2.00 -0.97 -0.67 119.66 126.15 1wet s GLN 292 Ca 0.23 -0.43 -0.26 0.00 -2.00 0.00 0.00 55.36 52.91 1wet s GLN 292 Cb -0.15 -3.24 -0.06 0.00 0.80 0.00 0.00 33.01 30.36 1wet s GLN 292 CO 0.10 0.05 2.12 -1.25 -0.50 0.00 0.00 175.29 175.80 1wet s PRO 293 N 0.97 2.30 0.06 1.67 0.05 -1.26 -4.80 135.00 133.99 1wet s PRO 293 Ca 0.04 0.64 0.19 0.00 0.05 0.00 0.00 61.00 61.92 1wet s PRO 293 Cb -0.14 -4.64 -0.14 0.00 0.05 0.00 0.00 34.50 29.63 1wet s PRO 293 CO 0.03 -3.29 0.78 0.36 0.05 0.00 0.00 177.00 174.92 1wet n LYS 294 N 9.02 0.63 -0.12 4.56 2.85 -1.26 -2.60 118.16 131.23 1wet n LYS 294 Ca 0.33 0.13 -0.13 0.00 -1.05 0.00 0.00 58.31 57.59 1wet n LYS 294 Cb 0.50 -1.76 -0.02 0.00 -0.65 0.00 0.00 35.03 33.11 1wet n LYS 294 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1wet h ASP 295 N 0.00 0.91 0.63 -5.58 5.19 -1.91 -1.29 116.42 114.37 1wet h ASP 295 Ca -0.13 -0.44 -0.12 0.00 -0.62 0.00 0.00 57.03 55.71 1wet h ASP 295 Cb 1.43 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1wet h ASP 295 CO 0.03 1.16 -0.57 0.77 -3.12 0.00 0.00 179.24 177.51 1wet h SER 296 N 0.68 0.00 -0.15 6.45 4.64 -1.97 0.34 113.55 123.53 1wet h SER 296 Ca 0.07 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1wet h SER 296 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1wet h SER 296 CO 0.08 0.57 -0.38 0.25 -0.87 0.00 0.00 176.83 176.48 1wet h LEU 297 N 0.00 0.71 0.02 5.97 6.46 -1.18 -0.85 115.31 126.44 1wet h LEU 297 Ca -0.01 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1wet h LEU 297 Cb 1.04 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1wet h LEU 297 CO 0.07 1.02 -0.01 1.23 -0.62 0.00 0.00 178.44 180.13 1wet h GLY 298 N 0.98 -0.03 1.43 3.75 0.00 -0.53 -2.57 103.07 106.09 1wet h GLY 298 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1wet h GLY 298 CO 0.08 -0.01 0.13 1.05 0.00 0.00 0.00 176.54 177.79 1wet h GLU 299 N -0.71 0.72 -0.61 4.80 4.11 -0.39 -0.81 114.58 121.68 1wet h GLU 299 Ca -0.00 -0.13 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 1wet h GLU 299 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1wet h GLU 299 CO 0.01 0.65 -0.00 1.15 0.07 0.00 0.00 179.01 180.88 1wet h THR 300 N 0.70 1.27 -0.40 -1.06 2.02 -1.20 -1.85 112.91 112.39 1wet h THR 300 Ca 0.16 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1wet h THR 300 Cb 0.25 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1wet h THR 300 CO -0.00 0.42 0.24 0.00 0.37 0.00 0.00 175.52 176.55 1wet h ALA 301 N 0.99 0.51 -0.80 6.16 0.00 -0.90 -2.02 119.26 123.20 1wet h ALA 301 Ca 0.17 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1wet h ALA 301 Cb 0.57 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1wet h ALA 301 CO 0.03 0.01 0.48 0.35 0.00 0.00 0.00 179.25 180.12 1wet h PHE 302 N 0.53 0.89 -0.15 0.00 3.57 -0.99 -2.43 116.94 118.37 1wet h PHE 302 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1wet h PHE 302 Cb 0.00 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1wet h PHE 302 CO -0.03 0.45 0.09 -0.91 -2.23 0.00 0.00 178.31 175.67 1wet h ASN 303 N 0.88 0.18 -0.65 0.41 2.35 -0.77 0.12 115.58 118.11 1wet h ASN 303 Ca 0.35 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1wet h ASN 303 Cb 0.17 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1wet h ASN 303 CO -0.17 0.17 0.40 0.24 -1.65 0.00 0.00 177.43 176.42 1wet h MET 304 N 0.16 0.88 -0.28 0.81 2.86 -1.16 -1.59 114.93 116.63 1wet h MET 304 Ca 0.05 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1wet h MET 304 Cb 0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1wet h MET 304 CO -0.01 0.62 0.04 1.25 1.06 0.00 0.00 176.91 179.87 1wet h LEU 305 N 0.90 0.45 -0.38 1.22 5.85 -0.91 -2.31 115.31 120.12 1wet h LEU 305 Ca 0.24 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1wet h LEU 305 Cb -0.04 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1wet h LEU 305 CO -0.05 0.60 0.11 0.25 -0.34 0.00 0.00 178.44 179.02 1wet h LEU 306 N 0.27 0.09 -0.07 2.25 5.85 -0.33 0.15 115.31 123.53 1wet h LEU 306 Ca 0.08 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1wet h LEU 306 Cb 0.35 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1wet h LEU 306 CO 0.01 0.09 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.27 1wet h ASP 307 N 0.26 -0.48 -0.61 1.25 3.58 -1.15 3.38 116.42 122.65 1wet h ASP 307 Ca 0.18 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.77 1wet h ASP 307 Cb 0.18 0.19 -0.11 0.00 1.72 0.00 0.00 39.33 41.32 1wet h ASP 307 CO -0.20 -0.12 -0.47 0.03 -2.88 0.00 0.00 179.24 175.59 1wet h ARG 308 N -0.14 -0.22 0.00 0.28 3.08 -1.11 1.11 114.38 117.38 1wet h ARG 308 Ca 0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1wet h ARG 308 Cb 0.17 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1wet h ARG 308 CO -0.14 -0.15 0.00 -0.89 -1.07 0.00 0.00 179.97 177.73 1wet n ILE 309 N -5.39 0.00 0.25 2.04 5.41 0.48 -1.27 119.36 120.89 1wet n ILE 309 Ca 0.01 1.49 -0.10 0.00 1.00 0.00 0.00 62.75 65.16 1wet n ILE 309 Cb 0.34 -2.31 -0.05 0.00 -0.71 0.00 0.00 39.64 36.91 1wet n ILE 309 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1wet h VAL 310 N 0.00 0.00 0.00 1.39 3.04 0.72 -3.12 116.25 118.28 1wet h VAL 310 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1wet h VAL 310 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1wet h VAL 310 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1wet n ASN 311 N -4.17 3.44 -3.27 3.17 4.13 0.37 -4.84 115.26 114.10 1wet n ASN 311 Ca -0.08 -1.94 -0.11 0.00 1.68 0.00 0.00 54.58 54.13 1wet n ASN 311 Cb 0.26 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 37.82 1wet n ASN 311 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wet n LYS 312 N 0.98 -0.93 -2.11 3.52 5.02 -0.39 -4.83 118.16 119.41 1wet n LYS 312 Ca 0.00 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 1wet n LYS 312 Cb 0.43 -0.84 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1wet n LYS 312 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1wet s ARG 313 N -4.73 3.17 -0.07 1.97 3.52 -0.74 -4.97 118.95 117.10 1wet s ARG 313 Ca 0.04 1.59 0.01 0.00 -0.13 0.00 0.00 55.73 57.25 1wet s ARG 313 Cb -0.02 -1.98 -0.05 0.00 -1.56 0.00 0.00 34.95 31.33 1wet s ARG 313 CO 0.31 -0.99 -0.06 0.39 -0.81 0.00 0.00 175.30 174.14 1wet n GLU 314 N -1.59 0.58 -3.03 5.12 -0.58 -1.26 -4.86 120.64 115.02 1wet n GLU 314 Ca 0.12 0.04 -0.37 0.00 -0.42 0.00 0.00 57.16 56.52 1wet n GLU 314 Cb 0.51 -1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 30.17 1wet n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1wet s GLU 315 N -2.15 4.39 0.69 3.49 8.01 -1.26 -5.01 118.70 126.85 1wet s GLU 315 Ca -0.09 1.01 -0.14 0.00 0.01 0.00 0.00 54.97 55.75 1wet s GLU 315 Cb 0.03 -2.99 0.02 0.00 -4.31 0.00 0.00 34.13 26.87 1wet s GLU 315 CO 0.19 0.44 1.13 -1.25 0.01 0.00 0.00 175.26 175.77 1wet s PRO 316 N -1.72 2.57 0.19 0.39 0.04 -1.26 -5.00 135.00 130.22 1wet s PRO 316 Ca 0.41 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 1wet s PRO 316 Cb -0.19 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1wet s PRO 316 CO 0.23 -1.44 0.32 -1.14 0.04 0.00 0.00 177.00 175.01 1wet s GLN 317 N -4.15 1.28 -0.24 4.56 0.74 -1.25 -5.01 119.66 115.59 1wet s GLN 317 Ca 0.68 -1.27 -0.06 0.00 0.05 0.00 0.00 55.36 54.76 1wet s GLN 317 Cb -0.22 0.39 0.12 0.00 1.10 0.00 0.00 33.01 34.40 1wet s GLN 317 CO 0.44 -0.48 0.48 -1.54 -0.55 0.00 0.00 175.29 173.64 1wet s SER 318 N -3.01 -0.48 -0.11 6.67 1.04 -1.25 -0.87 113.70 115.69 1wet s SER 318 Ca 0.22 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 1wet s SER 318 Cb 0.03 1.61 -0.02 0.00 0.10 0.00 0.00 66.02 67.73 1wet s SER 318 CO 0.05 -0.25 -0.08 -0.63 0.98 0.00 0.00 173.24 173.31 1wet s ILE 319 N 2.69 3.53 0.47 -1.02 1.01 -0.23 -4.93 121.20 122.72 1wet s ILE 319 Ca 0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1wet s ILE 319 Cb -0.13 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1wet s ILE 319 CO -0.16 0.55 0.81 -1.61 0.00 0.00 0.00 174.94 174.53 1wet s GLU 320 N -0.15 3.65 0.05 2.79 2.02 -1.26 0.29 118.70 126.09 1wet s GLU 320 Ca 0.01 0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 1wet s GLU 320 Cb -0.13 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1wet s GLU 320 CO 0.03 -0.18 -0.03 0.54 0.02 0.00 0.00 175.26 175.64 1wet s VAL 321 N -2.64 0.23 -0.05 2.63 0.11 0.96 -4.84 120.40 116.79 1wet s VAL 321 Ca 0.50 -1.81 0.03 0.00 -2.93 0.00 0.00 61.98 57.77 1wet s VAL 321 Cb -0.10 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1wet s VAL 321 CO 0.40 -0.99 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.05 1wet s HIS 322 N -3.90 1.38 0.78 1.54 0.09 -1.26 -4.03 115.29 109.90 1wet s HIS 322 Ca 0.07 -0.45 -0.11 0.00 -0.00 0.00 0.00 55.06 54.56 1wet s HIS 322 Cb 0.08 -0.99 0.06 0.00 -0.00 0.00 0.00 32.58 31.73 1wet s HIS 322 CO -0.10 -0.21 1.09 -1.25 -0.00 0.00 0.00 174.74 174.27 1wet s PRO 323 N 0.45 2.20 -0.24 8.40 0.04 -1.26 -4.54 135.00 140.05 1wet s PRO 323 Ca -0.10 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.39 1wet s PRO 323 Cb -0.13 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1wet s PRO 323 CO 0.03 -1.55 0.71 -0.98 0.04 0.00 0.00 177.00 175.24 1wet s ARG 324 N -5.12 0.87 0.23 4.56 1.70 0.16 -4.94 118.95 116.41 1wet s ARG 324 Ca 0.60 0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 56.45 1wet s ARG 324 Cb -0.15 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.56 1wet s ARG 324 CO 0.54 -0.13 1.49 -1.17 -1.08 0.00 0.00 175.30 174.95 1wet s LEU 325 N 0.14 4.38 -0.21 -1.89 1.98 -1.26 0.64 118.68 122.45 1wet s LEU 325 Ca -0.02 2.68 0.01 0.00 -2.89 0.00 0.00 54.13 53.91 1wet s LEU 325 Cb -0.04 -3.62 0.03 0.00 0.66 0.00 0.00 46.19 43.22 1wet s LEU 325 CO 0.02 -0.76 -0.15 -0.63 -1.89 0.00 0.00 176.35 172.95 1wet s ILE 326 N 0.32 2.28 -0.16 6.68 -1.09 0.35 -4.85 121.20 124.74 1wet s ILE 326 Ca 0.63 -1.08 -0.24 0.00 -2.23 0.00 0.00 60.65 57.72 1wet s ILE 326 Cb -0.43 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1wet s ILE 326 CO 0.40 0.35 0.76 -1.61 -1.23 0.00 0.00 174.94 173.62 1wet s GLU 327 N 1.26 4.29 0.00 2.79 2.02 -1.26 -2.20 118.70 125.60 1wet s GLU 327 Ca 0.01 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1wet s GLU 327 Cb -0.15 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1wet s GLU 327 CO -0.09 -0.26 0.00 0.54 0.02 0.00 0.00 175.26 175.47 1wet n ARG 328 N 5.01 0.00 -0.01 1.61 1.74 -1.26 -4.93 116.66 118.81 1wet n ARG 328 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1wet n ARG 328 Cb 0.49 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.94 1wet n ARG 328 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wet n ARG 329 N 0.00 2.25 -0.06 5.56 1.74 0.33 -4.73 116.66 121.75 1wet n ARG 329 Ca 0.00 -1.33 0.09 0.00 -0.77 0.00 0.00 57.85 55.84 1wet n ARG 329 Cb 0.00 -0.91 0.40 0.00 -1.02 0.00 0.00 32.46 30.93 1wet n ARG 329 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wet n SER 330 N -0.43 1.08 -4.19 0.55 3.41 -0.72 -4.55 113.62 108.77 1wet n SER 330 Ca 0.01 -1.65 -0.22 0.00 -0.26 0.00 0.00 58.87 56.75 1wet n SER 330 Cb 0.33 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 1wet n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wet s VAL 331 N -1.85 1.33 0.10 -3.33 1.01 -1.26 -0.96 120.40 115.44 1wet s VAL 331 Ca 0.29 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1wet s VAL 331 Cb 0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1wet s VAL 331 CO 0.23 0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.25 1wet s ALA 332 N -0.91 1.17 0.36 5.51 0.00 -1.26 -4.97 121.76 121.66 1wet s ALA 332 Ca 0.03 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 1wet s ALA 332 Cb -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 1wet s ALA 332 CO 0.02 0.00 1.05 -0.25 0.00 0.00 0.00 175.76 176.58 1wet n ASP 333 N 0.62 1.51 -5.03 0.00 8.00 -1.26 -4.88 116.55 115.51 1wet n ASP 333 Ca -0.16 1.11 -0.19 0.00 0.71 0.00 0.00 54.79 56.26 1wet n ASP 333 Cb 0.57 -1.35 0.05 0.00 -0.02 0.00 0.00 41.12 40.37 1wet n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wet s GLY 334 N -0.60 1.76 0.61 0.44 0.00 0.83 -4.91 107.32 105.44 1wet s GLY 334 Ca 0.60 -2.07 0.29 0.00 0.00 0.00 0.00 44.72 43.54 1wet s GLY 334 CO 0.59 -1.65 1.96 -2.55 0.00 0.00 0.00 173.10 171.45 1wet h PRO 335 N 0.25 0.00 -0.02 2.90 0.11 -1.74 -2.54 132.00 130.95 1wet h PRO 335 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1wet h PRO 335 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1wet h PRO 335 CO 0.41 0.00 -0.02 1.19 -0.21 0.00 0.00 178.00 179.38 1wet n PHE 336 N -3.56 0.00 -0.31 0.65 3.01 0.44 -4.64 117.46 113.04 1wet n PHE 336 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.52 1wet n PHE 336 Cb 0.51 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.06 1wet n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1wet h ARG 337 N 3.82 -0.02 0.00 -1.08 2.43 -1.60 -0.18 114.38 117.75 1wet h ARG 337 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1wet h ARG 337 Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1wet h ARG 337 CO 0.00 -0.02 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.80 1wet h ASP 338 N -0.02 0.00 -2.42 -3.80 3.32 -1.83 -3.34 116.42 108.31 1wet h ASP 338 Ca 0.38 0.00 -0.79 0.00 0.02 0.00 0.00 57.03 56.64 1wet h ASP 338 Cb 0.62 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.93 1wet h ASP 338 CO -0.88 0.20 1.20 -1.22 -1.72 0.00 0.00 179.24 176.82 1wet n TYR 339 N -3.48 2.87 -1.88 4.55 4.02 -0.08 -5.24 117.16 117.92 1wet n TYR 339 Ca -0.01 -2.80 0.00 0.00 -0.01 0.00 0.00 57.90 55.08 1wet n TYR 339 Cb 0.37 -1.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.12 1wet n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39