#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vry h PRO 4 N 0.00 0.28 0.00 2.89 0.13 -2.04 -3.17 132.00 130.09 2vry h PRO 4 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2vry h PRO 4 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2vry h PRO 4 CO 0.00 0.87 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 2vry n GLU 5 N -3.82 0.29 0.07 0.86 0.00 -1.26 -2.50 120.64 114.28 2vry n GLU 5 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 57.16 57.17 2vry n GLU 5 Cb 0.68 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.88 2vry n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2vry h SER 6 N 0.00 0.33 -0.47 -1.84 0.02 -1.95 0.10 113.55 109.73 2vry h SER 6 Ca 0.00 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2vry h SER 6 Cb 0.27 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2vry h SER 6 CO 0.00 0.61 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.11 2vry h GLU 7 N 0.29 0.91 -0.90 3.45 4.57 -1.66 -1.35 114.58 119.90 2vry h GLU 7 Ca 0.04 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2vry h GLU 7 Cb 0.64 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 2vry h GLU 7 CO 0.05 1.00 0.59 -0.07 -1.18 0.00 0.00 179.01 179.40 2vry h LEU 8 N 0.76 1.03 0.16 1.64 3.38 -1.43 0.16 115.31 121.02 2vry h LEU 8 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2vry h LEU 8 Cb 0.66 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2vry h LEU 8 CO 0.05 0.74 -0.08 0.40 0.09 0.00 0.00 178.44 179.64 2vry h ILE 9 N 1.21 0.96 -0.07 1.22 1.08 -0.94 -2.65 117.51 118.31 2vry h ILE 9 Ca 0.33 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 64.20 2vry h ILE 9 Cb -0.14 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 2vry h ILE 9 CO -0.07 0.15 -0.15 0.03 -0.69 0.00 0.00 178.15 177.41 2vry h ARG 10 N -0.53 -0.20 -0.44 2.37 3.08 -0.84 -0.85 114.38 116.97 2vry h ARG 10 Ca -0.02 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2vry h ARG 10 Cb 0.41 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2vry h ARG 10 CO 0.04 -0.14 0.06 1.96 -1.07 0.00 0.00 179.97 180.82 2vry h GLN 11 N -0.21 0.73 -0.23 0.04 1.08 -0.77 -2.77 115.11 112.97 2vry h GLN 11 Ca 0.07 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 2vry h GLN 11 Cb 0.32 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2vry h GLN 11 CO -0.20 0.76 -0.23 0.66 -0.95 0.00 0.00 178.83 178.88 2vry h SER 12 N 0.58 0.41 0.85 1.46 4.64 -1.36 -2.86 113.55 117.27 2vry h SER 12 Ca 0.13 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2vry h SER 12 Cb 0.40 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2vry h SER 12 CO 0.01 0.64 -0.34 -0.25 -0.87 0.00 0.00 176.83 176.03 2vry h TRP 13 N 0.37 0.00 -0.47 4.77 2.91 -0.97 -3.28 115.95 119.29 2vry h TRP 13 Ca 0.06 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.13 2vry h TRP 13 Cb 0.61 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.21 2vry h TRP 13 CO 0.02 0.34 0.20 -0.09 -1.03 0.00 0.00 178.44 177.87 2vry h ARG 14 N 0.00 0.38 -0.37 2.65 2.43 -1.25 -0.18 114.38 118.04 2vry h ARG 14 Ca -0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2vry h ARG 14 Cb 0.85 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2vry h ARG 14 CO 0.04 0.25 0.08 -0.24 -1.51 0.00 0.00 179.97 178.59 2vry h VAL 15 N 0.39 0.82 0.03 0.20 3.04 -1.70 -3.18 116.25 115.85 2vry h VAL 15 Ca 0.21 -0.07 -0.22 0.00 -1.01 0.00 0.00 66.70 65.61 2vry h VAL 15 Cb 0.18 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 2vry h VAL 15 CO -0.19 0.04 -1.06 -0.37 -1.01 0.00 0.00 177.57 174.97 2vry h VAL 16 N 0.20 1.66 0.00 1.51 -1.51 -1.46 -3.22 116.25 113.42 2vry h VAL 16 Ca 0.18 -3.34 0.00 0.00 -1.23 0.00 0.00 66.70 62.31 2vry h VAL 16 Cb 0.20 2.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 2vry h VAL 16 CO -0.23 0.95 0.00 -1.54 -1.23 0.00 0.00 177.57 175.52 2vry n SER 17 N -3.38 0.66 0.22 4.19 3.41 -0.16 -2.39 113.62 116.16 2vry n SER 17 Ca -0.02 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.34 2vry n SER 17 Cb 0.96 -0.80 0.45 0.00 -0.26 0.00 0.00 64.21 64.55 2vry n SER 17 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2vry h ARG 18 N 0.00 0.00 -1.85 4.33 3.08 -1.58 -3.34 114.38 115.02 2vry h ARG 18 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2vry h ARG 18 Cb 0.38 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.07 2vry h ARG 18 CO 0.00 0.25 -1.00 -1.13 -1.07 0.00 0.00 179.97 177.02 2vry n SER 19 N -3.45 -0.39 -0.14 7.04 3.41 -1.01 -5.01 113.62 114.07 2vry n SER 19 Ca -0.00 -2.69 -0.01 0.00 -0.26 0.00 0.00 58.87 55.91 2vry n SER 19 Cb 0.43 -0.30 0.24 0.00 -0.26 0.00 0.00 64.21 64.33 2vry n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2vry h PRO 20 N 4.38 0.84 -0.38 4.33 0.13 -1.68 -2.54 132.00 137.09 2vry h PRO 20 Ca 0.09 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2vry h PRO 20 Cb 0.91 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2vry h PRO 20 CO 0.41 0.66 -0.04 1.25 -0.23 0.00 0.00 178.00 180.05 2vry h LEU 21 N 0.84 0.69 -0.35 1.56 5.85 -1.92 0.28 115.31 122.25 2vry h LEU 21 Ca 0.21 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2vry h LEU 21 Cb 0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2vry h LEU 21 CO -0.03 0.86 0.22 -0.08 -0.34 0.00 0.00 178.44 179.07 2vry h GLU 22 N 0.50 0.44 -0.34 1.25 4.81 -1.91 0.64 114.58 119.98 2vry h GLU 22 Ca 0.10 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2vry h GLU 22 Cb 0.53 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2vry h GLU 22 CO 0.03 0.29 -0.29 0.45 -0.73 0.00 0.00 179.01 178.76 2vry h HIS 23 N 0.45 0.95 -0.24 0.92 3.86 -1.40 -2.93 115.15 116.75 2vry h HIS 23 Ca 0.13 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 2vry h HIS 23 Cb -0.03 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 2vry h HIS 23 CO -0.06 1.05 0.06 0.78 0.86 0.00 0.00 177.93 180.62 2vry h GLY 24 N 0.58 0.36 1.23 2.45 0.00 -0.23 -2.14 103.07 105.33 2vry h GLY 24 Ca 0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 2vry h GLY 24 CO 0.07 0.16 -0.21 -0.84 0.00 0.00 0.00 176.54 175.73 2vry h THR 25 N 0.34 1.27 -0.12 4.70 2.02 -0.78 -1.12 112.91 119.22 2vry h THR 25 Ca 0.08 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 65.95 2vry h THR 25 Cb 0.13 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2vry h THR 25 CO -0.00 0.46 -0.05 0.58 0.37 0.00 0.00 175.52 176.87 2vry h VAL 26 N 0.77 0.82 -0.07 3.16 2.07 -1.23 0.20 116.25 121.97 2vry h VAL 26 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2vry h VAL 26 Cb 0.75 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2vry h VAL 26 CO 0.06 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.82 2vry h LEU 27 N -0.04 -0.26 -0.66 2.57 6.46 -1.16 -1.03 115.31 121.20 2vry h LEU 27 Ca 0.07 0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 2vry h LEU 27 Cb 0.14 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 2vry h LEU 27 CO -0.15 -0.12 -0.11 -0.26 -0.62 0.00 0.00 178.44 177.18 2vry h PHE 28 N -0.11 1.04 -0.54 1.25 0.04 -1.13 0.65 116.94 118.14 2vry h PHE 28 Ca 0.06 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.64 2vry h PHE 28 Cb 0.19 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2vry h PHE 28 CO -0.18 0.98 0.34 0.00 -0.60 0.00 0.00 178.31 178.85 2vry h ALA 29 N 1.03 0.69 -0.50 2.45 0.00 -0.85 -1.74 119.26 120.34 2vry h ALA 29 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vry h ALA 29 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2vry h ALA 29 CO 0.05 0.08 0.33 -0.09 0.00 0.00 0.00 179.25 179.61 2vry h ARG 30 N 0.69 0.67 -0.59 0.00 9.65 -1.05 -1.82 114.38 121.94 2vry h ARG 30 Ca 0.21 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 2vry h ARG 30 Cb -0.03 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.35 2vry h ARG 30 CO -0.07 0.45 0.31 1.25 2.80 0.00 0.00 179.97 184.72 2vry h LEU 31 N 0.68 0.46 -0.75 3.80 5.85 -0.32 -1.84 115.31 123.19 2vry h LEU 31 Ca 0.18 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2vry h LEU 31 Cb -0.06 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2vry h LEU 31 CO -0.04 0.31 -0.59 -0.26 -0.34 0.00 0.00 178.44 177.52 2vry h PHE 32 N 0.59 0.00 -0.26 1.25 0.04 -1.22 0.57 116.94 117.92 2vry h PHE 32 Ca 0.26 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 2vry h PHE 32 Cb 0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2vry h PHE 32 CO -0.09 0.59 -0.15 0.00 -0.60 0.00 0.00 178.31 178.06 2vry h ALA 33 N 1.41 1.27 0.09 2.45 0.00 -0.81 -2.58 119.26 121.10 2vry h ALA 33 Ca -0.01 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 2vry h ALA 33 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2vry h ALA 33 CO 0.08 0.48 -1.62 -0.07 0.00 0.00 0.00 179.25 178.11 2vry h LEU 34 N 0.40 0.31 -6.13 0.00 3.38 -0.98 -3.42 115.31 108.87 2vry h LEU 34 Ca 0.07 -0.49 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 2vry h LEU 34 Cb 0.50 -0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.76 2vry h LEU 34 CO 0.03 1.42 -1.06 1.21 0.09 0.00 0.00 178.44 180.13 2vry n GLU 35 N -3.38 0.52 0.25 1.13 2.13 0.16 -4.97 120.64 116.47 2vry n GLU 35 Ca -0.19 -3.20 0.18 0.00 0.66 0.00 0.00 57.16 54.61 2vry n GLU 35 Cb 1.04 -1.38 0.89 0.00 0.27 0.00 0.00 31.44 32.26 2vry n GLU 35 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2vry h PRO 36 N 4.61 0.00 0.00 5.31 0.11 -1.68 -1.98 132.00 138.37 2vry h PRO 36 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2vry h PRO 36 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2vry h PRO 36 CO 0.43 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 2vry n SER 37 N -3.51 0.33 0.23 -2.05 3.41 -1.26 -1.85 113.62 108.92 2vry n SER 37 Ca 0.00 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2vry n SER 37 Cb 0.31 -0.65 0.50 0.00 -0.26 0.00 0.00 64.21 64.11 2vry n SER 37 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2vry h LEU 38 N 0.00 0.00 -0.79 1.04 3.38 -1.74 -3.37 115.31 113.83 2vry h LEU 38 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2vry h LEU 38 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2vry h LEU 38 CO 0.00 0.19 0.44 0.25 0.09 0.00 0.00 178.44 179.42 2vry h LEU 39 N 0.00 0.63 -0.44 1.67 5.85 -1.58 -1.95 115.31 119.49 2vry h LEU 39 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2vry h LEU 39 Cb 0.70 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2vry h LEU 39 CO 0.02 0.36 0.00 -2.65 -0.34 0.00 0.00 178.44 175.84 2vry n PRO 40 N -4.77 0.08 0.26 5.25 -0.02 -1.26 -2.68 135.00 131.86 2vry n PRO 40 Ca 0.13 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 2vry n PRO 40 Cb 0.27 -1.69 0.49 0.00 -0.02 0.00 0.00 33.50 32.55 2vry n PRO 40 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2vry h LEU 41 N 0.00 0.00 -7.83 2.45 3.38 -1.61 -3.37 115.31 108.34 2vry h LEU 41 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 2vry h LEU 41 Cb 0.21 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.80 2vry h LEU 41 CO 0.00 0.00 1.32 -0.36 0.09 0.00 0.00 178.44 179.49 2vry s PHE 42 N -3.50 3.26 -0.39 1.13 0.08 -1.09 -4.96 117.98 112.51 2vry s PHE 42 Ca 0.03 -1.80 -0.09 0.00 0.12 0.00 0.00 56.93 55.19 2vry s PHE 42 Cb 0.07 -4.38 0.05 0.00 -0.57 0.00 0.00 43.02 38.20 2vry s PHE 42 CO 0.59 -1.50 0.21 -1.14 -0.10 0.00 0.00 175.22 173.28 2vry s GLN 43 N 2.38 2.68 -0.10 0.44 0.74 -1.26 -4.53 119.66 120.02 2vry s GLN 43 Ca 0.41 -1.27 0.04 0.00 0.05 0.00 0.00 55.36 54.59 2vry s GLN 43 Cb -0.02 -3.70 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 2vry s GLN 43 CO -0.02 -0.81 -0.22 0.71 -0.55 0.00 0.00 175.29 174.40 2vry s TYR 44 N 1.47 2.59 -1.44 1.67 2.02 -1.21 -4.67 117.35 117.79 2vry s TYR 44 Ca 0.02 -0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 55.71 2vry s TYR 44 Cb -0.21 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2vry s TYR 44 CO 0.04 -0.33 1.10 -1.71 -1.57 0.00 0.00 175.55 173.07 2vry n ASN 45 N 3.39 -5.64 -0.72 2.29 5.15 -1.26 -2.51 115.26 115.96 2vry n ASN 45 Ca -0.19 -0.65 -0.09 0.00 -0.60 0.00 0.00 54.58 53.05 2vry n ASN 45 Cb 0.53 -4.51 -0.04 0.00 -0.53 0.00 0.00 39.78 35.23 2vry n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vry n GLY 46 N -1.86 0.99 3.42 8.20 0.00 -1.26 -4.98 105.19 109.70 2vry n GLY 46 Ca 0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2vry n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vry s ARG 47 N -2.62 1.51 -0.10 1.61 1.81 -1.04 -5.13 118.95 114.99 2vry s ARG 47 Ca 0.00 -1.48 -0.02 0.00 -1.72 0.00 0.00 55.73 52.51 2vry s ARG 47 Cb 0.00 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.60 2vry s ARG 47 CO 0.00 0.41 -0.03 -1.14 -0.68 0.00 0.00 175.30 173.86 2vry s GLN 48 N -2.55 3.10 0.19 3.54 0.74 -1.26 -3.29 119.66 120.12 2vry s GLN 48 Ca 0.19 -0.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 2vry s GLN 48 Cb -0.08 -2.76 -0.08 0.00 1.10 0.00 0.00 33.01 31.18 2vry s GLN 48 CO 0.09 0.57 1.27 -0.06 -0.55 0.00 0.00 175.29 176.61 2vry s PHE 49 N -0.52 3.32 -0.05 1.67 0.08 -1.26 -4.95 117.98 116.27 2vry s PHE 49 Ca 0.08 1.29 -0.23 0.00 0.12 0.00 0.00 56.93 58.19 2vry s PHE 49 Cb -0.12 -3.54 -0.25 0.00 -0.57 0.00 0.00 43.02 38.54 2vry s PHE 49 CO 0.02 -1.64 1.00 0.77 -0.10 0.00 0.00 175.22 175.27 2vry h SER 50 N 5.40 0.32 -3.40 1.36 0.02 -1.96 -3.44 113.55 111.85 2vry h SER 50 Ca -0.44 -0.82 -0.42 0.00 -0.84 0.00 0.00 61.79 59.26 2vry h SER 50 Cb 1.21 -0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 2vry h SER 50 CO 0.77 1.11 -0.73 -0.94 -1.14 0.00 0.00 176.83 175.89 2vry s SER 51 N -6.52 2.37 0.33 3.07 1.04 -1.26 -5.04 113.70 107.68 2vry s SER 51 Ca -0.15 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.30 2vry s SER 51 Cb 0.01 -0.10 0.66 0.00 0.10 0.00 0.00 66.02 66.69 2vry s SER 51 CO 0.77 -0.22 1.90 -0.65 0.98 0.00 0.00 173.24 176.03 2vry h PRO 52 N 2.61 0.84 0.00 4.02 0.11 -1.97 -0.56 132.00 137.06 2vry h PRO 52 Ca -0.38 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2vry h PRO 52 Cb 1.21 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2vry h PRO 52 CO 0.62 0.56 -0.09 1.05 -0.21 0.00 0.00 178.00 179.94 2vry h GLU 53 N 0.87 0.00 -1.00 1.05 9.09 -2.01 -0.96 114.58 121.62 2vry h GLU 53 Ca 0.40 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.86 2vry h GLU 53 Cb 0.38 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.42 2vry h GLU 53 CO -0.16 0.09 0.65 -0.44 0.05 0.00 0.00 179.01 179.19 2vry h ASP 54 N 0.00 1.05 0.04 3.06 3.32 -1.50 -2.71 116.42 119.67 2vry h ASP 54 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2vry h ASP 54 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2vry h ASP 54 CO 0.01 0.68 -0.15 0.77 -1.72 0.00 0.00 179.24 178.83 2vry h SER 55 N 1.20 0.23 0.66 6.45 4.64 -1.18 -2.49 113.55 123.05 2vry h SER 55 Ca 0.42 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2vry h SER 55 Cb 0.12 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2vry h SER 55 CO -0.16 0.40 0.00 0.18 -0.87 0.00 0.00 176.83 176.39 2vry n LEU 56 N -4.25 0.19 -0.39 5.97 4.77 -1.02 -1.84 117.00 120.42 2vry n LEU 56 Ca -0.01 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 2vry n LEU 56 Cb 0.28 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.07 2vry n LEU 56 CO 0.38 -0.29 0.50 -1.54 -1.33 0.00 0.00 177.39 175.12 2vry n SER 57 N -1.71 1.57 -4.60 -1.43 3.41 -0.94 -4.91 113.62 105.01 2vry n SER 57 Ca 0.04 -1.24 -0.41 0.00 -0.26 0.00 0.00 58.87 57.00 2vry n SER 57 Cb 0.22 0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 2vry n SER 57 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vry s SER 58 N -2.45 6.44 0.35 4.04 0.15 -0.77 -4.95 113.70 116.51 2vry s SER 58 Ca 0.22 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.27 2vry s SER 58 Cb 0.19 -2.30 0.63 0.00 -1.71 0.00 0.00 66.02 62.83 2vry s SER 58 CO 0.53 -0.41 2.01 1.55 1.20 0.00 0.00 173.24 178.11 2vry h PRO 59 N 8.18 0.83 -0.67 5.44 0.13 -1.91 -1.37 132.00 142.62 2vry h PRO 59 Ca -0.28 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2vry h PRO 59 Cb 1.13 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2vry h PRO 59 CO 0.77 0.56 0.18 0.93 -0.23 0.00 0.00 178.00 180.20 2vry h GLU 60 N 0.85 1.07 -0.49 0.86 3.07 -1.94 0.14 114.58 118.13 2vry h GLU 60 Ca 0.23 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2vry h GLU 60 Cb -0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.66 2vry h GLU 60 CO -0.05 0.94 0.14 0.35 -1.40 0.00 0.00 179.01 179.00 2vry h PHE 61 N 1.00 0.80 -0.26 4.33 3.57 -1.69 -1.55 116.94 123.13 2vry h PHE 61 Ca 0.21 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2vry h PHE 61 Cb 0.34 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2vry h PHE 61 CO 0.03 0.70 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.59 2vry h LEU 62 N 0.66 0.43 -0.81 0.59 3.38 -1.07 -1.33 115.31 117.18 2vry h LEU 62 Ca 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2vry h LEU 62 Cb 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2vry h LEU 62 CO -0.00 0.61 0.42 0.44 0.09 0.00 0.00 178.44 180.00 2vry h ASP 63 N 0.41 1.03 -0.48 -0.43 3.32 -0.75 -1.62 116.42 117.91 2vry h ASP 63 Ca 0.07 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2vry h ASP 63 Cb 0.51 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2vry h ASP 63 CO 0.03 0.86 0.21 -0.74 -1.72 0.00 0.00 179.24 177.88 2vry h HIS 64 N 1.14 0.71 -0.74 4.55 2.76 -0.60 -1.66 115.15 121.31 2vry h HIS 64 Ca 0.28 -0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.57 2vry h HIS 64 Cb 0.07 -0.22 -0.12 0.00 1.55 0.00 0.00 27.41 28.70 2vry h HIS 64 CO 0.01 0.58 0.13 0.82 -1.30 0.00 0.00 177.93 178.17 2vry h ILE 65 N 0.63 0.46 -0.84 6.26 2.04 -0.79 0.58 117.51 125.86 2vry h ILE 65 Ca 0.16 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2vry h ILE 65 Cb 0.15 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 2vry h ILE 65 CO -0.02 0.04 0.47 0.03 0.00 0.00 0.00 178.15 178.67 2vry h ARG 66 N 0.22 1.16 -0.62 2.37 3.08 -0.86 -1.95 114.38 117.79 2vry h ARG 66 Ca 0.41 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2vry h ARG 66 Cb 0.72 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2vry h ARG 66 CO -0.55 0.84 0.37 0.87 -1.07 0.00 0.00 179.97 180.43 2vry h LYS 67 N 1.16 0.84 -0.30 0.04 1.57 -0.35 -0.81 116.57 118.72 2vry h LYS 67 Ca 0.30 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2vry h LYS 67 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2vry h LYS 67 CO -0.05 0.60 0.17 0.28 -0.57 0.00 0.00 179.45 179.88 2vry h VAL 68 N 0.84 1.02 -0.29 0.50 2.07 -0.61 -1.53 116.25 118.25 2vry h VAL 68 Ca 0.22 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 2vry h VAL 68 Cb -0.02 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2vry h VAL 68 CO -0.04 0.06 -0.20 0.24 0.02 0.00 0.00 177.57 177.66 2vry h MET 69 N 0.35 0.52 -0.58 1.57 2.86 -1.00 -1.57 114.93 117.08 2vry h MET 69 Ca 0.12 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2vry h MET 69 Cb 0.01 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2vry h MET 69 CO -0.06 0.69 0.12 1.25 1.06 0.00 0.00 176.91 179.97 2vry h LEU 70 N 0.47 0.86 -0.35 1.22 5.85 -0.63 0.41 115.31 123.14 2vry h LEU 70 Ca 0.08 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 2vry h LEU 70 Cb 0.60 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2vry h LEU 70 CO 0.04 0.85 -0.50 0.58 -0.34 0.00 0.00 178.44 179.07 2vry h VAL 71 N 0.87 1.28 -0.68 1.05 2.07 -0.59 -1.12 116.25 119.13 2vry h VAL 71 Ca 0.19 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 2vry h VAL 71 Cb 0.34 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2vry h VAL 71 CO 0.00 0.55 0.26 0.40 0.02 0.00 0.00 177.57 178.81 2vry h ILE 72 N 0.68 1.24 -0.60 4.57 2.04 -1.15 -1.66 117.51 122.63 2vry h ILE 72 Ca 0.03 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2vry h ILE 72 Cb 1.10 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2vry h ILE 72 CO 0.11 0.31 0.40 -0.78 0.00 0.00 0.00 178.15 178.19 2vry h ASP 73 N 0.97 0.61 -0.13 1.72 3.58 -0.62 -0.65 116.42 121.89 2vry h ASP 73 Ca 0.23 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 2vry h ASP 73 Cb 0.22 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2vry h ASP 73 CO -0.02 0.42 -0.23 0.00 -2.88 0.00 0.00 179.24 176.53 2vry h ALA 74 N 1.65 1.04 -0.52 -0.78 0.00 -0.69 -1.81 119.26 118.15 2vry h ALA 74 Ca 0.24 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2vry h ALA 74 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2vry h ALA 74 CO -0.06 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 2vry h ALA 75 N 1.24 0.71 -0.31 0.00 0.00 -0.25 -1.60 119.26 119.05 2vry h ALA 75 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2vry h ALA 75 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2vry h ALA 75 CO 0.05 0.55 0.19 0.28 0.00 0.00 0.00 179.25 180.31 2vry h VAL 76 N 0.81 1.11 -0.79 0.00 2.07 -1.14 0.03 116.25 118.35 2vry h VAL 76 Ca 0.15 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2vry h VAL 76 Cb 0.56 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2vry h VAL 76 CO 0.03 0.11 0.51 0.74 0.02 0.00 0.00 177.57 178.99 2vry h THR 77 N 0.40 1.02 -0.63 2.57 2.02 -1.22 -2.04 112.91 115.04 2vry h THR 77 Ca 0.11 -0.28 -0.23 0.00 0.77 0.00 0.00 66.41 66.78 2vry h THR 77 Cb 0.02 0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 66.41 2vry h THR 77 CO -0.02 0.15 0.22 0.59 0.37 0.00 0.00 175.52 176.83 2vry n ASN 78 N -4.49 3.99 -0.11 4.18 4.13 -0.61 -4.70 115.26 117.65 2vry n ASN 78 Ca 0.12 -3.38 0.18 0.00 1.68 0.00 0.00 54.58 53.17 2vry n ASN 78 Cb 0.23 -0.71 0.59 0.00 -1.54 0.00 0.00 39.78 38.35 2vry n ASN 78 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2vry h VAL 79 N 1.87 0.76 0.00 2.41 3.04 -0.22 0.67 116.25 124.77 2vry h VAL 79 Ca 0.28 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 2vry h VAL 79 Cb 2.15 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2vry h VAL 79 CO 0.65 0.04 -0.07 -0.62 -1.01 0.00 0.00 177.57 176.56 2vry n GLU 80 N -4.43 0.20 -3.14 4.17 -0.58 -1.26 -4.53 120.64 111.07 2vry n GLU 80 Ca 0.13 0.15 0.02 0.00 -0.42 0.00 0.00 57.16 57.04 2vry n GLU 80 Cb 0.59 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2vry n GLU 80 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2vry s ASP 81 N -4.12 -1.35 0.03 1.62 2.15 0.21 -5.04 116.67 110.18 2vry s ASP 81 Ca 0.11 -0.34 0.28 0.00 0.43 0.00 0.00 52.55 53.03 2vry s ASP 81 Cb 0.14 1.76 1.12 0.00 -0.30 0.00 0.00 42.92 45.64 2vry s ASP 81 CO 0.60 -0.19 1.86 0.18 -0.17 0.00 0.00 175.17 177.45 2vry n LEU 82 N 4.70 0.15 0.30 -1.34 4.77 -1.13 -3.51 117.00 120.94 2vry n LEU 82 Ca 0.08 0.47 0.20 0.00 -0.03 0.00 0.00 56.01 56.73 2vry n LEU 82 Cb 0.57 -0.45 0.99 0.00 -2.33 0.00 0.00 43.42 42.20 2vry n LEU 82 CO -0.04 -0.01 1.10 0.77 -1.33 0.00 0.00 177.39 177.87 2vry h SER 83 N 0.00 0.00 0.40 -1.43 4.64 -1.96 -1.03 113.55 114.17 2vry h SER 83 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2vry h SER 83 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2vry h SER 83 CO 0.00 0.00 -0.14 0.28 -0.87 0.00 0.00 176.83 176.10 2vry h SER 84 N 0.00 0.00 -0.02 4.97 0.02 -1.94 -2.91 113.55 113.67 2vry h SER 84 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2vry h SER 84 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2vry h SER 84 CO 0.00 0.14 -0.39 0.18 -1.14 0.00 0.00 176.83 175.62 2vry n LEU 85 N -3.66 2.01 -0.19 5.07 4.77 -0.40 -4.63 117.00 119.96 2vry n LEU 85 Ca -0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2vry n LEU 85 Cb 0.26 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2vry n LEU 85 CO 0.31 0.37 0.88 -0.08 -1.33 0.00 0.00 177.39 177.53 2vry h GLU 86 N 2.46 0.18 -0.37 3.23 4.57 -1.42 0.28 114.58 123.50 2vry h GLU 86 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2vry h GLU 86 Cb 0.72 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2vry h GLU 86 CO 0.00 0.12 0.19 0.93 -1.18 0.00 0.00 179.01 179.07 2vry h GLU 87 N 0.18 0.53 -0.62 1.92 4.39 -1.82 0.23 114.58 119.39 2vry h GLU 87 Ca 0.30 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 2vry h GLU 87 Cb 0.47 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2vry h GLU 87 CO -0.45 0.45 0.16 -0.92 -1.16 0.00 0.00 179.01 177.09 2vry h TYR 88 N 0.47 1.04 -0.19 4.33 3.20 -1.60 -2.75 116.97 121.47 2vry h TYR 88 Ca 0.13 -0.12 -0.18 0.00 3.14 0.00 0.00 58.73 61.70 2vry h TYR 88 Cb 0.09 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 2vry h TYR 88 CO -0.02 0.87 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.69 2vry h LEU 89 N 0.91 0.74 -0.49 2.82 3.38 -0.01 -1.32 115.31 121.34 2vry h LEU 89 Ca 0.20 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2vry h LEU 89 Cb 0.35 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2vry h LEU 89 CO 0.00 1.17 0.15 0.74 0.09 0.00 0.00 178.44 180.60 2vry h THR 90 N 0.49 0.80 -0.02 0.22 2.02 -0.45 -0.04 112.91 115.94 2vry h THR 90 Ca -0.00 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 2vry h THR 90 Cb 1.18 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2vry h THR 90 CO 0.12 0.06 -0.59 0.28 0.37 0.00 0.00 175.52 175.76 2vry h SER 91 N 0.31 0.08 -0.40 4.18 0.02 -1.30 -1.56 113.55 114.88 2vry h SER 91 Ca 0.24 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2vry h SER 91 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2vry h SER 91 CO -0.26 0.65 0.08 0.25 -1.14 0.00 0.00 176.83 176.41 2vry h LEU 92 N 0.05 0.69 -0.41 5.07 5.85 -0.63 -1.68 115.31 124.24 2vry h LEU 92 Ca -0.01 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2vry h LEU 92 Cb 1.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2vry h LEU 92 CO 0.08 0.71 0.03 1.23 -0.34 0.00 0.00 178.44 180.14 2vry h GLY 93 N 0.93 0.76 0.83 3.75 0.00 -0.36 -1.98 103.07 107.00 2vry h GLY 93 Ca 0.15 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.97 2vry h GLY 93 CO 0.00 0.50 0.15 -0.09 0.00 0.00 0.00 176.54 177.10 2vry h ARG 94 N 0.54 0.30 -0.38 4.80 1.12 -1.03 0.42 114.38 120.14 2vry h ARG 94 Ca 0.12 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 2vry h ARG 94 Cb 0.44 -0.07 -0.08 0.00 -0.01 0.00 0.00 29.97 30.25 2vry h ARG 94 CO 0.02 0.20 -0.54 -0.22 -3.11 0.00 0.00 179.97 176.31 2vry h LYS 95 N 0.31 -0.40 -0.56 0.20 1.63 -1.27 -1.24 116.57 115.24 2vry h LYS 95 Ca 0.13 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2vry h LYS 95 Cb 0.06 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2vry h LYS 95 CO -0.10 -0.26 0.07 0.45 -3.45 0.00 0.00 179.45 176.16 2vry h HIS 96 N -0.41 0.96 -0.39 1.91 3.86 -1.01 -0.36 115.15 119.72 2vry h HIS 96 Ca 0.08 -0.12 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 2vry h HIS 96 Cb 0.61 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 2vry h HIS 96 CO -0.70 0.83 -0.06 -0.09 0.86 0.00 0.00 177.93 178.77 2vry h ARG 97 N 0.86 0.04 -0.90 2.45 2.43 -0.77 -0.80 114.38 117.69 2vry h ARG 97 Ca 0.17 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.43 2vry h ARG 97 Cb 0.40 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 2vry h ARG 97 CO 0.01 0.03 0.58 0.00 -1.51 0.00 0.00 179.97 179.08 2vry h ALA 98 N 1.37 1.59 0.00 2.80 0.00 -0.64 -1.51 119.26 122.86 2vry h ALA 98 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2vry h ALA 98 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vry h ALA 98 CO -0.37 0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.46 2vry n VAL 99 N -4.52 0.22 0.00 0.00 0.24 -0.20 -4.89 118.33 109.18 2vry n VAL 99 Ca 0.15 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2vry n VAL 99 Cb 0.27 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 2vry n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vry n GLY 100 N 1.33 1.10 3.70 7.63 0.00 -0.57 -4.95 105.19 113.43 2vry n GLY 100 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2vry n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vry s VAL 101 N -2.00 4.59 0.35 1.61 1.01 -0.40 -5.00 120.40 120.56 2vry s VAL 101 Ca 0.00 1.87 -0.26 0.00 0.00 0.00 0.00 61.98 63.59 2vry s VAL 101 Cb 0.00 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 2vry s VAL 101 CO 0.00 0.06 1.04 -0.13 0.00 0.00 0.00 175.10 176.07 2vry s ARG 102 N 1.64 4.36 0.25 2.72 0.52 -1.26 -4.23 118.95 122.95 2vry s ARG 102 Ca 0.52 1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 57.25 2vry s ARG 102 Cb -0.22 -2.76 0.42 0.00 0.52 0.00 0.00 34.95 32.92 2vry s ARG 102 CO 0.23 0.02 1.80 1.25 0.02 0.00 0.00 175.30 178.63 2vry h LEU 103 N 2.96 0.65 -1.85 2.53 6.46 -1.98 -0.46 115.31 123.63 2vry h LEU 103 Ca -0.48 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.41 2vry h LEU 103 Cb 1.21 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 2vry h LEU 103 CO 0.64 0.36 0.26 0.77 -0.62 0.00 0.00 178.44 179.85 2vry h SER 104 N 0.76 0.16 -0.00 1.25 4.64 -2.04 -1.09 113.55 117.24 2vry h SER 104 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2vry h SER 104 Cb 0.42 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2vry h SER 104 CO -0.27 0.10 0.01 0.28 -0.87 0.00 0.00 176.83 176.08 2vry h SER 105 N 0.19 0.00 0.98 4.97 0.02 -1.46 -1.45 113.55 116.79 2vry h SER 105 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2vry h SER 105 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2vry h SER 105 CO -0.03 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.40 2vry h PHE 106 N 0.00 0.00 -0.34 3.45 0.04 -1.30 -2.38 116.94 116.41 2vry h PHE 106 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2vry h PHE 106 Cb 0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2vry h PHE 106 CO 0.00 0.00 -0.38 0.77 -0.60 0.00 0.00 178.31 178.10 2vry h SER 107 N 0.00 0.94 -0.83 2.17 0.02 -1.43 -1.82 113.55 112.59 2vry h SER 107 Ca 0.00 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2vry h SER 107 Cb 0.49 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 2vry h SER 107 CO 0.00 1.23 0.39 0.74 -1.14 0.00 0.00 176.83 178.05 2vry h THR 108 N 0.67 1.26 -0.42 -2.27 2.02 -1.58 -0.74 112.91 111.85 2vry h THR 108 Ca 0.05 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2vry h THR 108 Cb 0.98 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 2vry h THR 108 CO 0.09 0.31 0.13 0.58 0.37 0.00 0.00 175.52 177.00 2vry h VAL 109 N 1.19 0.84 -0.53 3.16 2.07 -1.36 0.48 116.25 122.10 2vry h VAL 109 Ca 0.29 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.77 2vry h VAL 109 Cb 0.13 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2vry h VAL 109 CO -0.03 0.05 0.25 1.23 0.02 0.00 0.00 177.57 179.09 2vry h GLY 110 N 0.28 0.74 1.47 2.17 0.00 -0.74 0.16 103.07 107.15 2vry h GLY 110 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2vry h GLY 110 CO -0.22 0.08 0.11 0.83 0.00 0.00 0.00 176.54 177.34 2vry h GLU 111 N 0.48 0.67 -0.16 4.80 4.39 -0.71 -0.75 114.58 123.30 2vry h GLU 111 Ca 0.24 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 2vry h GLU 111 Cb 0.19 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2vry h GLU 111 CO -0.19 0.61 -0.62 0.77 -1.16 0.00 0.00 179.01 178.42 2vry h SER 112 N 0.65 0.62 -0.18 1.42 0.02 0.08 -0.43 113.55 115.73 2vry h SER 112 Ca 0.15 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2vry h SER 112 Cb 0.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2vry h SER 112 CO -0.00 1.09 0.05 0.25 -1.14 0.00 0.00 176.83 177.08 2vry h LEU 113 N 0.40 0.27 -1.23 5.07 5.85 -0.38 -0.87 115.31 124.43 2vry h LEU 113 Ca -0.01 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2vry h LEU 113 Cb 1.18 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2vry h LEU 113 CO 0.11 0.41 0.01 -0.07 -0.34 0.00 0.00 178.44 178.56 2vry h LEU 114 N 0.11 0.50 -0.21 2.25 3.38 -1.04 -1.04 115.31 119.27 2vry h LEU 114 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2vry h LEU 114 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2vry h LEU 114 CO -0.00 0.57 0.05 0.22 0.09 0.00 0.00 178.44 179.36 2vry h TYR 115 N 0.51 0.35 -0.65 1.13 3.20 -0.81 -0.34 116.97 120.35 2vry h TYR 115 Ca 0.11 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2vry h TYR 115 Cb 0.32 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2vry h TYR 115 CO 0.01 0.45 0.21 1.98 -1.64 0.00 0.00 178.16 179.17 2vry h MET 116 N 0.15 1.01 -0.07 1.82 4.05 -0.70 -1.01 114.93 120.18 2vry h MET 116 Ca 0.06 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2vry h MET 116 Cb 0.28 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2vry h MET 116 CO 0.00 0.88 0.03 -0.07 0.23 0.00 0.00 176.91 177.99 2vry h LEU 117 N 0.94 0.09 -0.60 3.39 3.38 -1.11 -1.11 115.31 120.29 2vry h LEU 117 Ca 0.21 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2vry h LEU 117 Cb 0.29 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2vry h LEU 117 CO -0.01 0.16 0.22 -0.08 0.09 0.00 0.00 178.44 178.83 2vry h GLU 118 N 0.00 0.39 -0.15 1.13 4.81 -0.76 0.16 114.58 120.17 2vry h GLU 118 Ca 0.02 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2vry h GLU 118 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2vry h GLU 118 CO -0.00 0.26 -0.47 0.87 -0.73 0.00 0.00 179.01 178.94 2vry h LYS 119 N 0.40 0.37 -0.05 1.92 1.79 -1.08 -1.21 116.57 118.71 2vry h LYS 119 Ca 0.30 -0.20 -0.24 0.00 -2.18 0.00 0.00 60.65 58.34 2vry h LYS 119 Cb 0.37 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2vry h LYS 119 CO -0.30 0.76 -0.89 1.03 -1.08 0.00 0.00 179.45 178.96 2vry h SER 120 N 0.30 0.87 1.11 0.86 0.87 -0.88 -3.35 113.55 113.33 2vry h SER 120 Ca 0.02 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2vry h SER 120 Cb 0.93 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2vry h SER 120 CO 0.08 1.45 -0.74 -0.07 -0.53 0.00 0.00 176.83 177.02 2vry h LEU 121 N 0.37 0.00 0.00 2.23 3.38 -0.67 -3.49 115.31 117.13 2vry h LEU 121 Ca -0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2vry h LEU 121 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2vry h LEU 121 CO 0.18 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2vry n GLY 122 N 1.21 2.74 0.34 0.83 0.00 -0.46 -0.66 105.19 109.19 2vry n GLY 122 Ca 0.02 0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.40 2vry n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vry h PRO 123 N 0.00 0.00 0.00 1.61 0.13 -1.95 -0.39 132.00 131.40 2vry h PRO 123 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2vry h PRO 123 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2vry h PRO 123 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 2vry n ASP 124 N -3.87 0.00 -4.25 1.44 8.00 0.17 -4.29 116.55 113.75 2vry n ASP 124 Ca 0.02 0.38 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 2vry n ASP 124 Cb 0.34 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2vry n ASP 124 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2vry n PHE 125 N -1.45 4.22 -1.74 1.24 7.35 -0.16 -4.94 117.46 121.98 2vry n PHE 125 Ca 0.06 -3.10 -0.32 0.00 -0.76 0.00 0.00 57.45 53.33 2vry n PHE 125 Cb 0.21 -2.18 0.04 0.00 0.35 0.00 0.00 39.48 37.89 2vry n PHE 125 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2vry s THR 126 N 1.58 3.85 0.57 -2.13 -4.23 -1.26 -4.76 115.64 109.25 2vry s THR 126 Ca 0.43 0.71 0.26 0.00 -1.18 0.00 0.00 61.69 61.91 2vry s THR 126 Cb 0.03 -3.34 0.33 0.00 1.34 0.00 0.00 72.50 70.86 2vry s THR 126 CO 0.01 -0.67 2.22 -0.65 -0.54 0.00 0.00 174.62 174.98 2vry h PRO 127 N -0.27 0.00 -0.09 3.99 0.11 -1.96 0.29 132.00 134.07 2vry h PRO 127 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2vry h PRO 127 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2vry h PRO 127 CO 0.56 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 177.93 2vry h ALA 128 N 2.00 1.11 -0.25 -0.75 0.00 -1.99 -0.77 119.26 118.61 2vry h ALA 128 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2vry h ALA 128 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2vry h ALA 128 CO 0.00 0.60 -0.39 1.15 0.00 0.00 0.00 179.25 180.61 2vry h THR 129 N 0.17 1.31 -0.04 0.00 2.02 -0.88 -1.38 112.91 114.11 2vry h THR 129 Ca 0.01 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.63 2vry h THR 129 Cb 0.83 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 2vry h THR 129 CO 0.06 0.50 -0.15 -0.09 0.37 0.00 0.00 175.52 176.22 2vry h ARG 130 N 0.42 -0.23 -0.52 6.66 2.43 -0.74 -1.84 114.38 120.57 2vry h ARG 130 Ca 0.02 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2vry h ARG 130 Cb 0.98 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 2vry h ARG 130 CO 0.09 -0.15 0.28 1.15 -1.51 0.00 0.00 179.97 179.82 2vry h THR 131 N -0.23 0.98 -0.42 0.20 2.02 -1.17 0.29 112.91 114.57 2vry h THR 131 Ca 0.06 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2vry h THR 131 Cb 0.32 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2vry h THR 131 CO -0.18 0.10 0.28 0.00 0.37 0.00 0.00 175.52 176.09 2vry h ALA 132 N 1.26 0.54 -0.22 6.16 0.00 -1.06 -1.01 119.26 124.94 2vry h ALA 132 Ca 0.22 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2vry h ALA 132 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2vry h ALA 132 CO -0.14 -0.00 -0.31 -1.49 0.00 0.00 0.00 179.25 177.30 2vry h TRP 133 N 0.57 0.51 -0.64 0.00 4.06 -1.11 0.43 115.95 119.76 2vry h TRP 133 Ca 0.15 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 2vry h TRP 133 Cb -0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 2vry h TRP 133 CO -0.04 0.71 0.30 1.03 -3.56 0.00 0.00 178.44 176.88 2vry h SER 134 N 0.38 0.85 0.05 -3.49 0.87 -0.53 0.15 113.55 111.84 2vry h SER 134 Ca 0.05 -0.14 -0.26 0.00 -1.23 0.00 0.00 61.79 60.21 2vry h SER 134 Cb 0.74 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2vry h SER 134 CO 0.06 0.75 -1.02 0.03 -0.53 0.00 0.00 176.83 176.11 2vry h ARG 135 N 0.89 0.66 -0.03 2.24 3.08 -0.80 0.39 114.38 120.81 2vry h ARG 135 Ca 0.22 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2vry h ARG 135 Cb 0.13 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2vry h ARG 135 CO -0.03 1.29 0.00 1.25 -1.07 0.00 0.00 179.97 181.42 2vry h LEU 136 N 0.37 -0.00 -0.82 3.04 6.46 -0.76 -1.57 115.31 122.02 2vry h LEU 136 Ca -0.12 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 2vry h LEU 136 Cb 1.67 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.58 2vry h LEU 136 CO 0.20 0.00 0.36 0.22 -0.62 0.00 0.00 178.44 178.60 2vry h TYR 137 N 0.02 1.21 -0.92 1.25 3.20 -0.70 -2.03 116.97 119.00 2vry h TYR 137 Ca 0.01 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.89 2vry h TYR 137 Cb 0.01 -0.37 -0.07 0.00 1.54 0.00 0.00 36.73 37.84 2vry h TYR 137 CO -0.09 0.90 0.57 0.78 -1.64 0.00 0.00 178.16 178.68 2vry h GLY 138 N 1.18 1.44 1.54 1.82 0.00 -0.75 -1.13 103.07 107.17 2vry h GLY 138 Ca 0.28 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2vry h GLY 138 CO -0.03 0.22 -0.36 0.00 0.00 0.00 0.00 176.54 176.38 2vry h ALA 139 N 1.46 0.94 -0.10 3.60 0.00 -0.75 -0.62 119.26 123.78 2vry h ALA 139 Ca 0.42 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2vry h ALA 139 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2vry h ALA 139 CO -0.21 0.62 0.01 0.28 0.00 0.00 0.00 179.25 179.95 2vry h VAL 140 N 0.43 1.23 -0.27 0.00 2.07 -0.68 -2.27 116.25 116.75 2vry h VAL 140 Ca 0.05 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 2vry h VAL 140 Cb 0.83 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2vry h VAL 140 CO 0.07 0.20 -0.25 0.58 0.02 0.00 0.00 177.57 178.19 2vry h VAL 141 N -0.07 1.27 0.02 2.57 2.07 -1.17 -0.85 116.25 120.09 2vry h VAL 141 Ca 0.03 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2vry h VAL 141 Cb 0.31 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2vry h VAL 141 CO 0.00 0.42 -0.21 -0.61 0.02 0.00 0.00 177.57 177.19 2vry h GLN 142 N 0.47 -0.33 -0.67 1.57 4.15 -1.02 0.24 115.11 119.52 2vry h GLN 142 Ca 0.07 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.57 2vry h GLN 142 Cb 0.69 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 2vry h GLN 142 CO 0.05 -0.22 0.37 0.00 -1.93 0.00 0.00 178.83 177.10 2vry h ALA 143 N 0.52 0.90 -0.21 3.38 0.00 -1.16 -2.31 119.26 120.38 2vry h ALA 143 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2vry h ALA 143 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2vry h ALA 143 CO -0.18 0.04 -0.12 0.52 0.00 0.00 0.00 179.25 179.51 2vry h MET 144 N 0.67 0.33 0.00 0.00 2.86 -0.65 -3.08 114.93 115.07 2vry h MET 144 Ca 0.30 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2vry h MET 144 Cb 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2vry h MET 144 CO -0.19 0.46 -0.13 0.66 1.06 0.00 0.00 176.91 178.78 2vry h SER 145 N 0.31 0.00 -0.67 1.22 4.64 0.06 -0.35 113.55 118.77 2vry h SER 145 Ca 0.06 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.58 2vry h SER 145 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2vry h SER 145 CO 0.02 0.13 0.49 0.03 -0.87 0.00 0.00 176.83 176.63 2vry h ARG 146 N 0.00 0.00 0.00 4.77 -0.00 -1.55 -1.57 114.38 116.02 2vry h ARG 146 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2vry h ARG 146 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.26 2vry h ARG 146 CO 0.02 0.00 -0.04 0.78 0.00 0.00 0.00 179.97 180.73 2vry h GLY 147 N 0.00 0.00 -0.87 0.04 0.00 -1.11 -2.79 103.07 98.34 2vry h GLY 147 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2vry h GLY 147 CO -0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 2vry n TRP 148 N -3.24 0.28 -1.43 5.60 8.01 -0.59 -4.00 117.44 122.07 2vry n TRP 148 Ca -0.01 -0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 2vry n TRP 148 Cb 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.52 2vry n TRP 148 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28