#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npr s GLU 8 N 0.00 2.48 0.06 -1.09 2.02 -1.26 -5.08 118.70 115.84 1npr s GLU 8 Ca 0.00 -0.71 -0.32 0.00 0.02 0.00 0.00 54.97 53.96 1npr s GLU 8 Cb 0.00 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.75 1npr s GLU 8 CO 0.00 0.62 1.86 -0.11 0.02 0.00 0.00 175.26 177.65 1npr n LEU 9 N 2.25 3.87 -4.78 1.80 0.00 -1.26 -4.95 117.00 113.94 1npr n LEU 9 Ca -0.17 0.97 -0.37 0.00 0.00 0.00 0.00 56.01 56.44 1npr n LEU 9 Cb 0.52 -1.49 -0.04 0.00 0.00 0.00 0.00 43.42 42.41 1npr n LEU 9 CO 0.26 0.10 0.76 -1.61 0.00 0.00 0.00 177.39 176.89 1npr s GLU 10 N 3.28 4.15 0.28 1.96 2.02 -1.26 -5.06 118.70 124.07 1npr s GLU 10 Ca 0.86 1.58 0.04 0.00 0.02 0.00 0.00 54.97 57.47 1npr s GLU 10 Cb -0.53 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1npr s GLU 10 CO 0.41 -0.17 0.43 0.15 0.02 0.00 0.00 175.26 176.10 1npr s LYS 11 N -2.42 3.41 0.24 1.61 1.02 -1.26 -4.87 119.74 117.46 1npr s LYS 11 Ca 0.57 -0.67 0.11 0.00 0.02 0.00 0.00 55.97 56.00 1npr s LYS 11 Cb -0.24 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1npr s LYS 11 CO 0.30 0.30 -0.21 0.15 -0.92 0.00 0.00 175.35 174.98 1npr s LYS 12 N -4.10 1.56 0.13 1.68 1.02 0.96 -4.76 119.74 116.24 1npr s LYS 12 Ca 0.37 -1.64 -0.25 0.00 0.02 0.00 0.00 55.97 54.47 1npr s LYS 12 Cb -0.09 -1.70 -0.07 0.00 -0.52 0.00 0.00 37.83 35.44 1npr s LYS 12 CO 0.31 0.33 0.76 -1.58 -0.92 0.00 0.00 175.35 174.26 1npr s TRP 13 N -2.24 3.87 -0.00 3.18 0.52 -1.26 -0.56 118.94 122.45 1npr s TRP 13 Ca 0.25 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.95 1npr s TRP 13 Cb -0.06 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 1npr s TRP 13 CO 0.12 0.47 0.00 0.71 0.02 0.00 0.00 176.95 178.27 1npr s TYR 14 N -0.91 0.01 -0.11 -1.98 1.51 -0.24 -1.22 117.35 114.41 1npr s TYR 14 Ca 0.36 0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 56.24 1npr s TYR 14 Cb -0.22 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1npr s TYR 14 CO 0.25 -0.02 0.56 0.00 -1.11 0.00 0.00 175.55 175.23 1npr s ALA 15 N 0.18 3.43 0.22 3.71 0.00 -1.26 -1.91 121.76 126.14 1npr s ALA 15 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1npr s ALA 15 Cb -0.02 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1npr s ALA 15 CO -0.01 -0.07 0.36 -0.51 0.00 0.00 0.00 175.76 175.54 1npr s LEU 16 N 0.77 4.28 -0.20 0.00 1.43 -0.05 -0.76 118.68 124.15 1npr s LEU 16 Ca 0.30 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1npr s LEU 16 Cb -0.16 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1npr s LEU 16 CO 0.13 -0.06 -0.03 -1.10 0.23 0.00 0.00 176.35 175.52 1npr s GLN 17 N -3.76 3.49 0.30 1.70 -0.21 -0.23 -3.10 119.66 117.86 1npr s GLN 17 Ca 0.35 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 55.18 1npr s GLN 17 Cb -0.10 -3.00 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 1npr s GLN 17 CO 0.30 -0.05 0.11 0.14 -2.12 0.00 0.00 175.29 173.67 1npr s VAL 18 N 1.12 0.61 -0.03 1.09 -7.23 -0.94 0.58 120.40 115.60 1npr s VAL 18 Ca 0.02 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 1npr s VAL 18 Cb -0.15 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 1npr s VAL 18 CO 0.00 0.00 1.76 -1.61 -0.31 0.00 0.00 175.10 174.94 1npr s GLU 19 N -3.91 4.15 0.18 4.82 2.02 -0.50 -4.38 118.70 121.09 1npr s GLU 19 Ca 0.35 2.32 -0.32 0.00 0.02 0.00 0.00 54.97 57.33 1npr s GLU 19 Cb 0.07 -4.05 -0.15 0.00 0.10 0.00 0.00 34.13 30.09 1npr s GLU 19 CO 0.15 -0.90 1.19 -2.30 0.02 0.00 0.00 175.26 173.42 1npr n PRO 20 N 7.29 1.29 0.00 0.39 -0.02 -1.26 -1.32 135.00 141.37 1npr n PRO 20 Ca 0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1npr n PRO 20 Cb 0.42 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1npr n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1npr n GLY 21 N 2.02 2.49 0.54 -1.23 0.00 -1.26 -4.80 105.19 102.95 1npr n GLY 21 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1npr n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1npr n LYS 22 N -2.00 2.56 -0.29 1.61 5.02 -0.43 -4.75 118.16 119.88 1npr n LYS 22 Ca 0.00 -2.43 0.12 0.00 -2.02 0.00 0.00 58.31 53.98 1npr n LYS 22 Cb 0.00 -1.53 0.28 0.00 -0.02 0.00 0.00 35.03 33.76 1npr n LYS 22 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1npr h GLU 23 N 1.22 0.32 -0.34 1.97 3.07 -1.87 0.54 114.58 119.49 1npr h GLU 23 Ca 0.00 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1npr h GLU 23 Cb 1.06 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1npr h GLU 23 CO 0.09 0.21 -0.16 -0.91 -1.40 0.00 0.00 179.01 176.85 1npr h ASN 24 N 0.33 0.61 -0.31 1.42 -0.26 -1.94 -1.44 115.58 113.98 1npr h ASN 24 Ca 0.53 -0.18 -0.12 0.00 -0.56 0.00 0.00 56.30 55.97 1npr h ASN 24 Cb 1.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1npr h ASN 24 CO -0.55 0.79 -0.28 -0.33 -1.06 0.00 0.00 177.43 175.99 1npr h GLU 25 N 0.56 0.74 -0.79 0.81 3.07 -0.46 -1.65 114.58 116.85 1npr h GLU 25 Ca 0.09 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1npr h GLU 25 Cb 0.59 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1npr h GLU 25 CO 0.04 1.00 0.41 0.00 -1.40 0.00 0.00 179.01 179.06 1npr h ALA 26 N 0.73 1.23 -0.05 3.43 0.00 -0.33 0.18 119.26 124.45 1npr h ALA 26 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1npr h ALA 26 Cb 0.85 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1npr h ALA 26 CO 0.07 0.61 0.01 -0.22 0.00 0.00 0.00 179.25 179.72 1npr h LYS 27 N 1.11 0.07 -0.59 0.00 3.64 -1.07 0.12 116.57 119.86 1npr h LYS 27 Ca 0.28 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1npr h LYS 27 Cb 0.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1npr h LYS 27 CO -0.04 0.26 0.38 0.93 -2.27 0.00 0.00 179.45 178.71 1npr h GLU 28 N -0.13 0.75 -0.12 1.90 4.39 -0.96 -1.21 114.58 119.20 1npr h GLU 28 Ca 0.01 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1npr h GLU 28 Cb 0.22 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1npr h GLU 28 CO -0.00 0.50 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.41 1npr h ASN 29 N 0.78 -0.11 0.04 1.42 4.21 -0.49 -2.15 115.58 119.28 1npr h ASN 29 Ca 0.22 0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.79 1npr h ASN 29 Cb -0.06 0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.18 1npr h ASN 29 CO -0.06 -0.04 -0.22 0.25 -1.29 0.00 0.00 177.43 176.07 1npr h LEU 30 N 0.00 -0.62 -0.62 1.61 5.85 -0.19 -1.04 115.31 120.29 1npr h LEU 30 Ca 0.06 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1npr h LEU 30 Cb 0.09 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1npr h LEU 30 CO -0.12 -0.29 0.14 -0.07 -0.34 0.00 0.00 178.44 177.75 1npr h LEU 31 N -0.36 0.01 -1.08 2.25 3.38 -1.11 0.16 115.31 118.56 1npr h LEU 31 Ca 0.05 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1npr h LEU 31 Cb 0.42 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1npr h LEU 31 CO -0.17 0.01 0.62 0.11 0.09 0.00 0.00 178.44 179.10 1npr h LYS 32 N 0.27 1.22 -0.20 1.13 1.57 -0.83 -1.90 116.57 117.82 1npr h LYS 32 Ca 0.33 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1npr h LYS 32 Cb 0.50 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1npr h LYS 32 CO -0.41 0.81 -0.39 0.28 -0.57 0.00 0.00 179.45 179.16 1npr h VAL 33 N 1.26 1.30 0.00 0.50 2.07 0.39 -2.39 116.25 119.37 1npr h VAL 33 Ca 0.35 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 1npr h VAL 33 Cb -0.12 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1npr h VAL 33 CO -0.08 0.48 -0.33 -0.07 0.02 0.00 0.00 177.57 177.59 1npr h LEU 34 N 0.38 0.00 0.53 2.57 3.38 -0.07 -1.39 115.31 120.71 1npr h LEU 34 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1npr h LEU 34 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1npr h LEU 34 CO 0.07 0.33 -0.26 -0.08 0.09 0.00 0.00 178.44 178.59 1npr h GLU 35 N 0.00 -0.69 -0.11 1.13 4.57 -0.96 0.22 114.58 118.74 1npr h GLU 35 Ca -0.00 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1npr h GLU 35 Cb 0.59 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1npr h GLU 35 CO 0.04 -0.43 0.07 -0.07 -1.18 0.00 0.00 179.01 177.45 1npr h LEU 36 N -1.15 0.08 -1.72 1.64 3.38 -1.35 -1.38 115.31 114.81 1npr h LEU 36 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1npr h LEU 36 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1npr h LEU 36 CO 0.12 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 1npr n GLU 37 N -4.52 2.14 -3.56 1.13 -0.58 -0.53 -4.96 120.64 109.76 1npr n GLU 37 Ca -0.01 -1.71 -0.19 0.00 -0.42 0.00 0.00 57.16 54.83 1npr n GLU 37 Cb 0.12 -1.46 0.06 0.00 -0.57 0.00 0.00 31.44 29.59 1npr n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1npr n GLY 38 N 1.33 -0.37 0.00 0.62 0.00 -0.52 -4.91 105.19 101.34 1npr n GLY 38 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1npr n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1npr n LEU 39 N -4.17 0.36 -0.41 0.99 4.77 0.69 -4.77 117.00 114.46 1npr n LEU 39 Ca -0.28 -0.68 0.35 0.00 -0.03 0.00 0.00 56.01 55.37 1npr n LEU 39 Cb 0.67 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.38 1npr n LEU 39 CO 0.65 0.09 1.19 0.11 -1.33 0.00 0.00 177.39 178.10 1npr h LYS 40 N 0.00 0.09 0.00 3.23 1.57 -1.84 0.37 116.57 119.99 1npr h LYS 40 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1npr h LYS 40 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1npr h LYS 40 CO 0.00 0.06 -0.06 0.22 -0.57 0.00 0.00 179.45 179.11 1npr h ASP 41 N 0.10 0.00 0.48 0.86 3.58 -1.91 -2.47 116.42 117.07 1npr h ASP 41 Ca 0.82 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.27 1npr h ASP 41 Cb 2.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.48 1npr h ASP 41 CO -0.50 0.06 -0.10 0.18 -2.88 0.00 0.00 179.24 176.00 1npr n LEU 42 N -3.28 0.31 -3.93 2.28 4.77 0.13 -4.78 117.00 112.51 1npr n LEU 42 Ca -0.01 0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1npr n LEU 42 Cb 0.24 -0.24 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1npr n LEU 42 CO 0.27 0.06 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.25 1npr s VAL 43 N -2.58 1.19 -0.16 4.08 1.01 -0.93 -0.94 120.40 122.06 1npr s VAL 43 Ca 0.26 -0.48 0.21 0.00 0.00 0.00 0.00 61.98 61.97 1npr s VAL 43 Cb 0.20 -1.22 -0.12 0.00 0.00 0.00 0.00 36.38 35.23 1npr s VAL 43 CO 0.49 0.32 0.81 0.47 0.00 0.00 0.00 175.10 177.19 1npr n ASP 44 N 4.88 0.62 -3.67 3.32 8.00 -0.20 -4.96 116.55 124.54 1npr n ASP 44 Ca -0.13 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 1npr n ASP 44 Cb 0.49 0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 42.26 1npr n ASP 44 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1npr s GLU 45 N -3.24 0.74 -0.16 -1.24 2.02 -1.13 -4.95 118.70 110.74 1npr s GLU 45 Ca -0.03 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.21 1npr s GLU 45 Cb 0.10 0.35 0.05 0.00 0.10 0.00 0.00 34.13 34.73 1npr s GLU 45 CO 0.82 -0.18 0.04 0.08 0.02 0.00 0.00 175.26 176.04 1npr s VAL 46 N -0.66 0.39 0.02 2.63 1.01 -1.26 -0.70 120.40 121.84 1npr s VAL 46 Ca -0.08 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1npr s VAL 46 Cb -0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1npr s VAL 46 CO 0.04 -0.09 -0.25 -0.63 0.00 0.00 0.00 175.10 174.17 1npr s ILE 47 N 1.93 1.99 -0.31 2.22 -1.09 0.37 -4.95 121.20 121.37 1npr s ILE 47 Ca 0.01 -1.21 -0.09 0.00 -2.23 0.00 0.00 60.65 57.13 1npr s ILE 47 Cb -0.16 -1.68 -0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1npr s ILE 47 CO -0.07 0.43 0.13 -0.69 -1.23 0.00 0.00 174.94 173.50 1npr s VAL 48 N -0.70 4.38 -0.99 2.92 1.01 -1.26 0.15 120.40 125.90 1npr s VAL 48 Ca 0.10 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1npr s VAL 48 Cb -0.10 -3.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.83 1npr s VAL 48 CO 0.01 0.07 2.19 -2.65 0.00 0.00 0.00 175.10 174.72 1npr n PRO 49 N 4.94 0.22 -3.25 2.72 -0.02 -1.26 -4.75 135.00 133.61 1npr n PRO 49 Ca -0.14 -1.45 -0.03 0.00 -2.02 0.00 0.00 63.50 59.86 1npr n PRO 49 Cb 0.49 -3.84 0.02 0.00 -0.02 0.00 0.00 33.50 30.14 1npr n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1npr n ALA 50 N 19.52 -1.90 -3.61 3.55 0.00 -1.26 -3.28 120.51 133.54 1npr n ALA 50 Ca 0.42 -0.82 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1npr n ALA 50 Cb 0.46 0.51 -0.17 0.00 0.00 0.00 0.00 19.45 20.25 1npr n ALA 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1npr s GLU 51 N -2.04 1.82 0.18 0.00 2.12 0.15 -4.96 118.70 115.96 1npr s GLU 51 Ca 0.16 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1npr s GLU 51 Cb -0.02 -1.58 -0.08 0.00 0.26 0.00 0.00 34.13 32.70 1npr s GLU 51 CO 0.05 -0.06 1.10 -1.21 -0.54 0.00 0.00 175.26 174.61 1npr s GLU 52 N 0.97 4.59 0.03 4.30 2.02 -1.26 -1.14 118.70 128.21 1npr s GLU 52 Ca -0.08 1.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 1npr s GLU 52 Cb -0.15 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1npr s GLU 52 CO -0.00 0.07 0.04 0.15 0.02 0.00 0.00 175.26 175.54 1npr s LYS 53 N -0.42 0.48 -0.19 1.61 1.02 -0.27 -1.93 119.74 120.04 1npr s LYS 53 Ca 0.49 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 1npr s LYS 53 Cb -0.30 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 1npr s LYS 53 CO 0.35 -0.10 0.09 0.08 -0.92 0.00 0.00 175.35 174.85 1npr s VAL 54 N -2.23 5.01 -0.22 3.17 1.01 0.20 -0.75 120.40 126.59 1npr s VAL 54 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1npr s VAL 54 Cb -0.04 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1npr s VAL 54 CO -0.03 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 1npr s VAL 55 N 0.36 2.64 -0.18 2.92 1.01 0.02 -0.72 120.40 126.46 1npr s VAL 55 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1npr s VAL 55 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1npr s VAL 55 CO -0.01 0.32 0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1npr s ILE 56 N 1.32 4.74 0.10 2.22 1.01 -0.33 -1.23 121.20 129.03 1npr s ILE 56 Ca 0.02 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1npr s ILE 56 Cb -0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1npr s ILE 56 CO -0.07 0.46 -0.20 -0.13 0.00 0.00 0.00 174.94 174.99 1npr s ARG 57 N 0.40 1.12 -0.22 2.79 0.52 0.29 0.31 118.95 124.15 1npr s ARG 57 Ca 0.03 -1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 54.09 1npr s ARG 57 Cb -0.12 -1.35 0.07 0.00 0.52 0.00 0.00 34.95 34.06 1npr s ARG 57 CO 0.00 0.32 0.02 0.00 0.02 0.00 0.00 175.30 175.67 1npr s ALA 58 N -1.14 1.33 -1.25 2.13 0.00 0.49 -2.08 121.76 121.24 1npr s ALA 58 Ca 0.06 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 1npr s ALA 58 Cb -0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 1npr s ALA 58 CO 0.04 -1.27 0.71 1.04 0.00 0.00 0.00 175.76 176.28 1npr n GLN 59 N 4.92 -3.51 0.00 0.00 6.02 0.76 -2.24 117.38 123.33 1npr n GLN 59 Ca -0.08 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1npr n GLN 59 Cb 0.45 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.82 1npr n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1npr n GLY 60 N -1.62 2.68 3.81 1.08 0.00 -1.26 -5.02 105.19 104.85 1npr n GLY 60 Ca -0.23 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1npr n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npr s LYS 61 N 0.00 4.31 -0.08 1.61 -0.14 -0.95 -5.04 119.74 119.45 1npr s LYS 61 Ca 0.00 0.91 -0.26 0.00 -1.36 0.00 0.00 55.97 55.26 1npr s LYS 61 Cb 0.00 -3.03 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1npr s LYS 61 CO 0.00 0.48 0.83 -2.00 -0.76 0.00 0.00 175.35 173.90 1npr s GLU 62 N -1.63 4.43 -0.21 1.68 2.12 -1.26 -0.38 118.70 123.45 1npr s GLU 62 Ca 0.39 1.09 -0.02 0.00 0.36 0.00 0.00 54.97 56.78 1npr s GLU 62 Cb -0.19 -3.49 -0.12 0.00 0.26 0.00 0.00 34.13 30.59 1npr s GLU 62 CO 0.22 -0.09 -0.21 1.63 -0.54 0.00 0.00 175.26 176.26 1npr n LYS 63 N 4.27 0.51 -3.98 4.30 4.76 0.15 -4.93 118.16 123.24 1npr n LYS 63 Ca 0.03 0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1npr n LYS 63 Cb 0.50 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 32.22 1npr n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1npr s TYR 64 N -2.41 0.32 -0.30 2.13 2.02 -1.01 -4.98 117.35 113.11 1npr s TYR 64 Ca -0.29 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 55.65 1npr s TYR 64 Cb 0.09 -0.22 0.13 0.00 -0.40 0.00 0.00 41.96 41.55 1npr s TYR 64 CO 0.46 -0.41 0.24 0.50 -1.57 0.00 0.00 175.55 174.76 1npr s ARG 65 N -3.39 0.33 0.12 -0.62 3.52 -1.25 -1.19 118.95 116.47 1npr s ARG 65 Ca 0.02 -0.46 0.09 0.00 -0.13 0.00 0.00 55.73 55.25 1npr s ARG 65 Cb 0.04 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.48 1npr s ARG 65 CO -0.08 -1.06 -0.23 -0.51 -0.81 0.00 0.00 175.30 172.61 1npr s LEU 66 N 2.06 2.32 0.35 -0.88 1.43 0.10 -4.91 118.68 119.15 1npr s LEU 66 Ca 0.11 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.20 1npr s LEU 66 Cb -0.16 -0.99 -0.12 0.00 0.03 0.00 0.00 46.19 44.96 1npr s LEU 66 CO -0.28 0.09 1.43 -1.20 0.23 0.00 0.00 176.35 176.62 1npr n SER 67 N 0.95 3.42 -0.13 2.29 7.64 -1.26 0.62 113.62 127.15 1npr n SER 67 Ca -0.18 1.21 -0.12 0.00 1.01 0.00 0.00 58.87 60.78 1npr n SER 67 Cb 0.54 -1.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1npr n SER 67 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1npr h LEU 68 N 3.11 0.89 -9.61 -3.43 5.85 -1.70 -3.43 115.31 106.98 1npr h LEU 68 Ca -0.48 -0.42 -0.52 0.00 0.84 0.00 0.00 57.88 57.30 1npr h LEU 68 Cb 1.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1npr h LEU 68 CO 0.66 1.12 0.42 -0.75 -0.34 0.00 0.00 178.44 179.55 1npr s LYS 69 N -4.56 4.65 0.00 1.25 2.20 -1.26 -4.33 119.74 117.69 1npr s LYS 69 Ca -0.12 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1npr s LYS 69 Cb 0.11 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1npr s LYS 69 CO 0.85 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 176.41 1npr n GLY 70 N 2.15 -0.96 3.77 5.54 0.00 -1.26 -5.08 105.19 109.34 1npr n GLY 70 Ca 0.02 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1npr n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1npr s ASN 71 N -1.87 5.26 0.06 1.61 0.01 -1.26 -4.50 114.94 114.25 1npr s ASN 71 Ca 0.00 2.11 -0.36 0.00 -0.71 0.00 0.00 52.86 53.90 1npr s ASN 71 Cb 0.00 -2.57 -0.16 0.00 0.41 0.00 0.00 41.25 38.94 1npr s ASN 71 CO 0.00 -1.53 1.47 0.00 -1.51 0.00 0.00 177.10 175.53 1npr n ALA 72 N -2.00 -0.21 -2.85 0.60 0.00 -1.26 -4.79 120.51 110.00 1npr n ALA 72 Ca 0.11 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1npr n ALA 72 Cb 0.51 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 1npr n ALA 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1npr s ARG 73 N 1.11 0.12 0.03 0.00 0.52 0.00 -5.00 118.95 115.73 1npr s ARG 73 Ca 0.85 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1npr s ARG 73 Cb -0.88 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.43 1npr s ARG 73 CO 0.47 0.03 -0.06 -0.51 0.02 0.00 0.00 175.30 175.24 1npr s ASP 74 N -0.02 4.65 -0.09 0.23 1.11 -1.26 -0.24 116.67 121.05 1npr s ASP 74 Ca 0.00 -0.19 -0.04 0.00 0.18 0.00 0.00 52.55 52.51 1npr s ASP 74 Cb -0.01 -1.06 0.05 0.00 1.07 0.00 0.00 42.92 42.97 1npr s ASP 74 CO -0.00 0.25 0.18 -0.63 1.18 0.00 0.00 175.17 176.14 1npr s ILE 75 N -1.08 -0.26 -0.08 0.77 1.09 -0.12 -4.97 121.20 116.54 1npr s ILE 75 Ca 0.19 0.33 -0.01 0.00 -1.10 0.00 0.00 60.65 60.06 1npr s ILE 75 Cb -0.11 -0.31 -0.03 0.00 -1.06 0.00 0.00 42.46 40.94 1npr s ILE 75 CO 0.10 0.14 -0.00 -0.44 -0.10 0.00 0.00 174.94 174.64 1npr s SER 76 N 2.21 5.19 -0.01 3.58 0.01 -1.26 -0.79 113.70 122.63 1npr s SER 76 Ca 0.02 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1npr s SER 76 Cb -0.12 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1npr s SER 76 CO -0.06 0.37 -0.04 0.68 0.41 0.00 0.00 173.24 174.59 1npr s VAL 77 N -0.89 0.39 -0.25 3.43 -7.23 -0.43 -4.98 120.40 110.43 1npr s VAL 77 Ca 0.14 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 1npr s VAL 77 Cb -0.11 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1npr s VAL 77 CO 0.03 0.13 1.18 -0.76 -0.31 0.00 0.00 175.10 175.36 1npr s LEU 78 N 0.10 4.04 0.00 1.32 1.43 -1.26 -2.23 118.68 122.07 1npr s LEU 78 Ca -0.01 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1npr s LEU 78 Cb -0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1npr s LEU 78 CO -0.00 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1npr n GLY 79 N 3.76 1.74 0.10 -3.19 0.00 0.34 -4.88 105.19 103.06 1npr n GLY 79 Ca 0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 1npr n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1npr h LYS 80 N 0.00 -0.18 0.00 1.61 3.64 -1.05 -3.38 116.57 117.21 1npr h LYS 80 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1npr h LYS 80 Cb 0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1npr h LYS 80 CO 0.00 -0.12 -0.57 0.87 -2.27 0.00 0.00 179.45 177.36 1npr h LYS 81 N -0.68 0.00 0.00 1.90 1.57 -1.78 -3.50 116.57 114.08 1npr h LYS 81 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1npr h LYS 81 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1npr h LYS 81 CO 0.03 0.57 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 1npr n GLY 82 N 1.16 -0.77 3.58 3.86 0.00 -1.26 -5.02 105.19 106.73 1npr n GLY 82 Ca 0.01 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1npr n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1npr s VAL 83 N -1.59 3.79 -0.08 1.61 1.01 -1.26 0.13 120.40 124.00 1npr s VAL 83 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1npr s VAL 83 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1npr s VAL 83 CO 0.00 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 1npr s THR 84 N -0.63 1.36 -0.15 3.92 2.01 -0.95 -2.85 115.64 118.36 1npr s THR 84 Ca 0.10 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1npr s THR 84 Cb -0.12 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1npr s THR 84 CO 0.02 0.41 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.30 1npr s THR 85 N 0.67 2.56 0.10 -0.82 2.01 0.11 -1.32 115.64 118.95 1npr s THR 85 Ca -0.14 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1npr s THR 85 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1npr s THR 85 CO 0.04 0.52 0.13 -0.36 -0.69 0.00 0.00 174.62 174.26 1npr s PHE 86 N 0.76 3.26 -0.09 4.92 0.40 0.03 0.79 117.98 128.05 1npr s PHE 86 Ca -0.07 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.39 1npr s PHE 86 Cb -0.16 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.75 1npr s PHE 86 CO 0.01 0.53 -0.20 0.50 0.70 0.00 0.00 175.22 176.75 1npr s ARG 87 N -2.64 2.64 -0.22 0.44 3.52 -0.15 -0.95 118.95 121.59 1npr s ARG 87 Ca 0.31 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1npr s ARG 87 Cb -0.12 -2.03 0.02 0.00 -1.56 0.00 0.00 34.95 31.27 1npr s ARG 87 CO 0.24 0.13 -0.11 0.42 -0.81 0.00 0.00 175.30 175.17 1npr s ILE 88 N 0.44 2.56 -0.25 4.11 1.01 0.66 -2.06 121.20 127.67 1npr s ILE 88 Ca -0.18 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.19 1npr s ILE 88 Cb -0.17 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.16 1npr s ILE 88 CO 0.07 0.31 0.95 -1.83 0.00 0.00 0.00 174.94 174.44 1npr s GLU 89 N 1.30 0.61 -1.25 2.79 -1.05 -0.87 -0.82 118.70 119.40 1npr s GLU 89 Ca 0.01 0.61 -0.02 0.00 -0.15 0.00 0.00 54.97 55.42 1npr s GLU 89 Cb -0.16 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 1npr s GLU 89 CO -0.07 -0.10 0.99 0.09 0.95 0.00 0.00 175.26 177.12 1npr n ASN 90 N 2.07 -2.68 -2.01 0.83 5.03 -1.26 -2.30 115.26 114.93 1npr n ASN 90 Ca -0.13 -0.64 -0.12 0.00 0.87 0.00 0.00 54.58 54.56 1npr n ASN 90 Cb 0.56 -4.93 -0.02 0.00 -1.02 0.00 0.00 39.78 34.36 1npr n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1npr n GLY 91 N -1.35 0.17 3.33 7.41 0.00 -1.26 -4.95 105.19 108.55 1npr n GLY 91 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 1npr n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1npr s GLU 92 N -4.24 1.33 0.01 1.61 2.02 -0.97 -4.55 118.70 113.89 1npr s GLU 92 Ca 0.00 -1.65 0.02 0.00 0.02 0.00 0.00 54.97 53.36 1npr s GLU 92 Cb 0.00 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.46 1npr s GLU 92 CO 0.00 -0.02 -0.06 0.08 0.02 0.00 0.00 175.26 175.29 1npr s VAL 93 N -3.29 0.43 0.23 2.63 1.01 -0.39 -2.06 120.40 118.96 1npr s VAL 93 Ca 0.26 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 1npr s VAL 93 Cb 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1npr s VAL 93 CO 0.08 0.01 0.55 -1.59 0.00 0.00 0.00 175.10 174.15 1npr s LYS 94 N -0.42 1.51 -0.39 2.72 -2.85 -0.87 -1.32 119.74 118.13 1npr s LYS 94 Ca -0.00 -1.01 -0.18 0.00 -1.00 0.00 0.00 55.97 53.77 1npr s LYS 94 Cb -0.04 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1npr s LYS 94 CO -0.00 -0.65 0.51 0.08 0.10 0.00 0.00 175.35 175.39 1npr s VAL 95 N -3.93 5.00 0.06 1.79 1.01 -1.26 -0.98 120.40 122.09 1npr s VAL 95 Ca 0.14 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1npr s VAL 95 Cb -0.02 -4.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 1npr s VAL 95 CO 0.03 -0.34 1.41 0.58 0.00 0.00 0.00 175.10 176.78 1npr h VAL 96 N 5.69 1.31 -1.67 2.92 2.07 0.06 -3.42 116.25 123.21 1npr h VAL 96 Ca -0.27 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1npr h VAL 96 Cb 1.12 1.67 -0.25 0.00 -1.52 0.00 0.00 31.29 32.31 1npr h VAL 96 CO 0.80 0.34 0.41 -1.83 0.02 0.00 0.00 177.57 177.30 1npr s GLU 97 N -4.59 0.59 0.36 1.57 4.04 -1.14 -4.99 118.70 114.53 1npr s GLU 97 Ca -0.14 0.59 0.06 0.00 0.04 0.00 0.00 54.97 55.52 1npr s GLU 97 Cb 0.06 0.28 -0.03 0.00 0.02 0.00 0.00 34.13 34.47 1npr s GLU 97 CO 0.75 -0.09 0.22 0.45 -1.84 0.00 0.00 175.26 174.74 1npr s SER 98 N 0.04 2.04 1.03 0.83 0.15 -1.26 0.07 113.70 116.61 1npr s SER 98 Ca 0.02 -1.72 -0.13 0.00 0.70 0.00 0.00 55.95 54.81 1npr s SER 98 Cb -0.04 0.55 0.15 0.00 -1.71 0.00 0.00 66.02 64.96 1npr s SER 98 CO -0.04 -1.01 0.72 0.52 1.20 0.00 0.00 173.24 174.63 1npr n VAL 99 N -0.72 0.00 -1.80 4.45 0.31 -1.13 -4.85 118.33 114.59 1npr n VAL 99 Ca 0.02 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1npr n VAL 99 Cb 0.63 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.71 1npr n VAL 99 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1npr s GLU 100 N -4.10 4.16 0.00 5.55 2.56 -1.26 -2.17 118.70 123.44 1npr s GLU 100 Ca 0.63 2.47 0.00 0.00 0.00 0.00 0.00 54.97 58.06 1npr s GLU 100 Cb -0.21 -3.95 0.00 0.00 2.00 0.00 0.00 34.13 31.97 1npr s GLU 100 CO 0.64 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.87 1npr n GLY 101 N 4.32 1.24 3.65 -1.50 0.00 -1.26 -4.99 105.19 106.65 1npr n GLY 101 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1npr n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1npr s ASP 102 N -0.42 6.66 0.00 1.61 1.01 -0.92 -4.87 116.67 119.75 1npr s ASP 102 Ca 0.00 1.78 0.25 0.00 0.71 0.00 0.00 52.55 55.29 1npr s ASP 102 Cb 0.00 -2.53 0.54 0.00 1.01 0.00 0.00 42.92 41.93 1npr s ASP 102 CO 0.00 -1.00 1.43 1.07 0.21 0.00 0.00 175.17 176.89 1npr n THR 103 N 5.81 0.00 0.04 -1.27 5.66 -1.26 -4.14 114.28 119.12 1npr n THR 103 Ca 0.16 -0.02 0.21 0.00 -3.05 0.00 0.00 64.05 61.36 1npr n THR 103 Cb 0.45 0.28 0.64 0.00 -1.55 0.00 0.00 70.33 70.14 1npr n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1npr h VAL 105 N 0.00 0.12 0.00 0.00 2.07 -1.82 -1.09 116.25 115.53 1npr h VAL 105 Ca 0.25 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1npr h VAL 105 Cb 1.60 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1npr h VAL 105 CO -0.00 0.00 -1.36 0.59 0.02 0.00 0.00 177.57 176.82 1npr n ASN 106 N -3.25 0.51 -4.65 0.57 3.02 0.84 -4.75 115.26 107.54 1npr n ASN 106 Ca -0.03 0.10 -0.48 0.00 -0.03 0.00 0.00 54.58 54.15 1npr n ASN 106 Cb 0.09 1.06 -0.05 0.00 -0.61 0.00 0.00 39.78 40.27 1npr n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1npr n ALA 107 N -2.14 0.71 -1.76 5.41 0.00 -0.41 -4.91 120.51 117.41 1npr n ALA 107 Ca -0.01 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 1npr n ALA 107 Cb 0.53 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.73 1npr n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1npr s PRO 108 N 0.88 3.45 0.36 0.00 0.04 -1.26 -4.72 135.00 133.76 1npr s PRO 108 Ca 0.81 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 63.71 1npr s PRO 108 Cb -0.76 -2.40 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 1npr s PRO 108 CO 0.41 -0.91 1.40 -0.35 0.04 0.00 0.00 177.00 177.59 1npr n PRO 109 N -0.66 2.44 -3.63 0.56 -0.04 -1.26 -4.97 135.00 127.44 1npr n PRO 109 Ca 0.08 0.86 -0.24 0.00 -0.04 0.00 0.00 63.50 64.16 1npr n PRO 109 Cb 0.45 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1npr n PRO 109 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1npr s ILE 110 N -1.11 5.17 0.00 0.52 -4.36 -0.43 -4.84 121.20 116.15 1npr s ILE 110 Ca 0.54 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.34 1npr s ILE 110 Cb -0.51 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.37 1npr s ILE 110 CO 0.63 -0.39 0.09 -1.54 0.24 0.00 0.00 174.94 173.96 1npr n SER 111 N -1.39 0.00 -4.24 4.36 3.41 -1.26 -1.26 113.62 113.24 1npr n SER 111 Ca -0.06 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.32 1npr n SER 111 Cb 0.56 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 1npr n SER 111 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1npr s LYS 112 N 0.00 1.17 0.49 4.33 1.02 -1.26 -4.95 119.74 120.55 1npr s LYS 112 Ca 0.00 -1.00 -0.22 0.00 0.02 0.00 0.00 55.97 54.77 1npr s LYS 112 Cb 0.00 -1.32 -0.08 0.00 -0.52 0.00 0.00 37.83 35.91 1npr s LYS 112 CO 0.00 0.32 0.96 -2.30 -0.92 0.00 0.00 175.35 173.41 1npr n PRO 113 N 1.51 1.16 0.00 -1.68 -0.02 -1.26 -0.62 135.00 134.09 1npr n PRO 113 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1npr n PRO 113 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1npr n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1npr n GLY 114 N 1.25 2.85 3.76 -1.23 0.00 0.11 -4.96 105.19 106.98 1npr n GLY 114 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1npr n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1npr s GLN 115 N -0.11 2.07 -0.10 1.61 -0.21 0.21 -4.87 119.66 118.26 1npr s GLN 115 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 55.36 56.20 1npr s GLN 115 Cb 0.00 -1.88 0.11 0.00 1.00 0.00 0.00 33.01 32.24 1npr s GLN 115 CO 0.00 -1.76 0.92 0.21 -2.12 0.00 0.00 175.29 172.54 1npr s LYS 116 N -4.91 0.73 -0.10 2.91 2.20 -1.26 -2.22 119.74 117.09 1npr s LYS 116 Ca 0.62 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 1npr s LYS 116 Cb -0.17 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.50 1npr s LYS 116 CO 0.56 -0.26 -0.15 0.42 -0.36 0.00 0.00 175.35 175.57 1npr s ILE 117 N -1.77 1.41 -0.04 5.43 1.01 -0.87 -4.99 121.20 121.38 1npr s ILE 117 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1npr s ILE 117 Cb -0.01 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1npr s ILE 117 CO -0.01 0.42 -0.23 -0.89 0.00 0.00 0.00 174.94 174.23 1npr s THR 118 N 0.89 1.89 -0.48 2.92 2.01 -1.26 -2.18 115.64 119.43 1npr s THR 118 Ca -0.09 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 1npr s THR 118 Cb -0.15 -1.59 0.13 0.00 0.01 0.00 0.00 72.50 70.90 1npr s THR 118 CO 0.00 0.53 0.31 0.00 -0.69 0.00 0.00 174.62 174.77 1npr h LYS 120 N 7.96 0.00 0.05 0.00 1.79 -1.96 0.21 116.57 124.61 1npr h LYS 120 Ca -0.12 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1npr h LYS 120 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1npr h LYS 120 CO 0.75 0.03 -0.02 0.93 -1.08 0.00 0.00 179.45 180.06 1npr h GLU 121 N 0.00 -0.06 0.00 3.15 4.39 -1.93 -3.31 114.58 116.82 1npr h GLU 121 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1npr h GLU 121 Cb 0.06 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1npr h GLU 121 CO 0.00 0.56 -0.14 -1.71 -1.16 0.00 0.00 179.01 176.57 1npr n ASN 122 N -4.77 0.30 -3.20 1.42 5.15 -1.20 -4.32 115.26 108.63 1npr n ASN 122 Ca -0.08 0.35 -0.19 0.00 -0.60 0.00 0.00 54.58 54.06 1npr n ASN 122 Cb 0.32 -0.37 0.07 0.00 -0.53 0.00 0.00 39.78 39.27 1npr n ASN 122 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1npr n LYS 123 N -1.69 -6.57 -4.51 1.20 4.76 0.67 -0.48 118.16 111.54 1npr n LYS 123 Ca 0.06 0.74 -0.25 0.00 -2.87 0.00 0.00 58.31 55.99 1npr n LYS 123 Cb 0.36 -5.49 -0.10 0.00 -1.84 0.00 0.00 35.03 27.96 1npr n LYS 123 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1npr s THR 124 N -3.30 2.25 -0.17 -0.18 -4.23 -0.87 -0.17 115.64 108.97 1npr s THR 124 Ca 0.30 -2.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 1npr s THR 124 Cb -0.13 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1npr s THR 124 CO 0.65 -0.27 1.08 -1.83 -0.54 0.00 0.00 174.62 173.70 1npr s GLU 125 N -3.59 0.48 -0.05 3.99 -1.05 -0.88 -0.57 118.70 117.03 1npr s GLU 125 Ca 0.31 0.03 0.02 0.00 -0.15 0.00 0.00 54.97 55.18 1npr s GLU 125 Cb 0.00 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 1npr s GLU 125 CO 0.15 -0.17 -0.08 0.00 0.95 0.00 0.00 175.26 176.12 1npr s ALA 126 N -1.51 0.90 0.03 -0.84 0.00 -0.93 -0.55 121.76 118.87 1npr s ALA 126 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1npr s ALA 126 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1npr s ALA 126 CO -0.02 0.06 -0.09 -1.59 0.00 0.00 0.00 175.76 174.12 1npr s LYS 127 N 0.71 0.59 -0.14 0.00 -2.85 -0.36 -2.06 119.74 115.63 1npr s LYS 127 Ca -0.12 -0.64 -0.20 0.00 -1.00 0.00 0.00 55.97 54.01 1npr s LYS 127 Cb -0.14 -0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 35.13 1npr s LYS 127 CO 0.02 0.10 0.58 0.42 0.10 0.00 0.00 175.35 176.57 1npr s ILE 128 N -0.99 5.10 0.35 3.79 1.01 -0.94 -0.80 121.20 128.72 1npr s ILE 128 Ca -0.05 1.14 0.05 0.00 0.00 0.00 0.00 60.65 61.79 1npr s ILE 128 Cb -0.08 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1npr s ILE 128 CO 0.01 0.23 0.18 0.68 0.00 0.00 0.00 174.94 176.04 1npr s VAL 129 N 1.12 0.33 -0.11 2.92 -7.23 0.07 0.04 120.40 117.55 1npr s VAL 129 Ca 0.29 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1npr s VAL 129 Cb -0.16 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1npr s VAL 129 CO 0.12 0.00 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.95 1npr s LEU 130 N -3.46 2.31 0.30 1.32 1.43 -1.26 -1.11 118.68 118.21 1npr s LEU 130 Ca 0.33 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1npr s LEU 130 Cb 0.03 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1npr s LEU 130 CO 0.19 0.16 0.02 -1.81 0.23 0.00 0.00 176.35 175.15 1npr s ASP 131 N 0.33 2.40 -1.54 2.29 1.11 -0.29 -4.78 116.67 116.20 1npr s ASP 131 Ca -0.16 -1.32 -0.04 0.00 0.18 0.00 0.00 52.55 51.22 1npr s ASP 131 Cb -0.17 -0.09 0.01 0.00 1.07 0.00 0.00 42.92 43.74 1npr s ASP 131 CO 0.08 -0.54 0.37 0.59 1.18 0.00 0.00 175.17 176.86 1npr n ASN 132 N -0.63 -5.55 -4.56 0.27 3.02 -1.26 -0.68 115.26 105.87 1npr n ASN 132 Ca -0.03 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 1npr n ASN 132 Cb 0.66 -4.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 1npr n ASN 132 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1npr s LYS 133 N -5.51 3.74 0.85 3.52 2.20 -1.26 -4.37 119.74 118.92 1npr s LYS 133 Ca 0.21 -1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 54.22 1npr s LYS 133 Cb -0.10 -5.39 0.17 0.00 -1.51 0.00 0.00 37.83 31.00 1npr s LYS 133 CO 0.25 -2.19 1.17 0.96 -0.36 0.00 0.00 175.35 175.19 1npr s ILE 134 N 4.49 2.06 -1.68 5.43 -4.36 -1.20 -4.20 121.20 121.73 1npr s ILE 134 Ca 0.48 -0.27 -0.13 0.00 -0.26 0.00 0.00 60.65 60.47 1npr s ILE 134 Cb 0.01 -2.79 0.12 0.00 1.25 0.00 0.00 42.46 41.05 1npr s ILE 134 CO -0.04 0.00 0.46 0.49 0.24 0.00 0.00 174.94 176.10 1npr n PHE 135 N -3.34 -1.40 -1.67 1.37 3.72 -1.26 -4.80 117.46 110.07 1npr n PHE 135 Ca 0.15 0.70 -0.40 0.00 -0.05 0.00 0.00 57.45 57.86 1npr n PHE 135 Cb 0.60 -2.65 0.03 0.00 -0.94 0.00 0.00 39.48 36.51 1npr n PHE 135 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1npr n PRO 136 N -4.33 1.51 -1.02 -1.08 -0.02 -1.26 -2.88 135.00 125.92 1npr n PRO 136 Ca -0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1npr n PRO 136 Cb 0.56 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1npr n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1npr n GLY 137 N 1.00 0.85 3.38 -1.23 0.00 -1.26 -4.87 105.19 103.06 1npr n GLY 137 Ca 0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1npr n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1npr s TYR 138 N -2.00 -0.46 0.05 1.61 2.02 -1.14 -2.21 117.35 115.23 1npr s TYR 138 Ca 0.00 0.92 -0.02 0.00 -0.37 0.00 0.00 57.07 57.60 1npr s TYR 138 Cb 0.00 0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.75 1npr s TYR 138 CO 0.00 -0.41 -0.01 0.96 -1.57 0.00 0.00 175.55 174.52 1npr s ILE 139 N -0.71 0.19 -0.05 2.71 -4.36 -1.18 -4.41 121.20 113.39 1npr s ILE 139 Ca -0.08 -1.58 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1npr s ILE 139 Cb -0.03 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.41 1npr s ILE 139 CO 0.05 -0.87 -0.25 -0.76 0.24 0.00 0.00 174.94 173.35 1npr s LEU 140 N -2.62 2.06 -0.02 0.37 1.43 0.12 -0.88 118.68 119.15 1npr s LEU 140 Ca 0.02 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1npr s LEU 140 Cb 0.04 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1npr s LEU 140 CO -0.08 0.26 -0.16 0.27 0.23 0.00 0.00 176.35 176.87 1npr s ILE 141 N -0.27 1.28 -0.34 -0.59 -4.36 -0.80 0.14 121.20 116.26 1npr s ILE 141 Ca -0.00 -0.69 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 1npr s ILE 141 Cb -0.13 -1.07 -0.01 0.00 1.25 0.00 0.00 42.46 42.51 1npr s ILE 141 CO 0.02 0.36 0.21 -0.75 0.24 0.00 0.00 174.94 175.03 1npr s LYS 142 N -0.32 3.32 0.33 0.37 2.20 0.13 -1.08 119.74 124.69 1npr s LYS 142 Ca 0.05 -0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 1npr s LYS 142 Cb -0.07 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1npr s LYS 142 CO -0.00 -0.48 0.63 0.00 -0.36 0.00 0.00 175.35 175.13 1npr s ALA 143 N 1.66 -0.30 -0.50 3.13 0.00 0.28 -1.03 121.76 125.00 1npr s ALA 143 Ca 0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1npr s ALA 143 Cb -0.18 0.91 0.12 0.00 0.00 0.00 0.00 23.12 23.98 1npr s ALA 143 CO 0.08 -0.92 0.40 -1.58 0.00 0.00 0.00 175.76 173.75 1npr s HIS 144 N -3.09 3.37 0.46 0.00 2.46 -0.12 -0.03 115.29 118.35 1npr s HIS 144 Ca 0.20 -1.69 -0.23 0.00 0.47 0.00 0.00 55.06 53.82 1npr s HIS 144 Cb -0.03 -3.60 -0.07 0.00 -0.13 0.00 0.00 32.58 28.74 1npr s HIS 144 CO 0.13 -1.00 1.15 1.41 -2.47 0.00 0.00 174.74 173.95 1npr s MET 145 N 1.41 3.75 0.25 2.88 1.75 -1.26 -4.92 119.30 123.16 1npr s MET 145 Ca 0.05 1.72 -0.21 0.00 -1.25 0.00 0.00 55.69 56.01 1npr s MET 145 Cb -0.27 -2.37 0.06 0.00 2.84 0.00 0.00 34.83 35.09 1npr s MET 145 CO 0.00 -0.54 0.91 0.54 -0.65 0.00 0.00 175.02 175.29 1npr s ASN 146 N -1.44 -0.06 0.15 1.11 4.22 -1.26 -5.04 114.94 112.62 1npr s ASN 146 Ca 0.64 -0.75 -0.13 0.00 -2.14 0.00 0.00 52.86 50.48 1npr s ASN 146 Cb -0.27 0.63 0.02 0.00 1.28 0.00 0.00 41.25 42.91 1npr s ASN 146 CO 0.33 -1.22 1.64 0.44 -2.04 0.00 0.00 177.10 176.24 1npr h ASP 147 N 2.00 0.78 0.11 3.54 3.32 -1.99 -1.82 116.42 122.35 1npr h ASP 147 Ca -0.27 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1npr h ASP 147 Cb 1.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1npr h ASP 147 CO 0.34 0.84 -0.05 0.11 -1.72 0.00 0.00 179.24 178.75 1npr h LYS 148 N 0.69 -0.14 -0.59 3.56 1.57 -1.99 -1.02 116.57 118.65 1npr h LYS 148 Ca 0.15 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1npr h LYS 148 Cb 0.38 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 1npr h LYS 148 CO 0.01 -0.01 0.15 1.25 -0.57 0.00 0.00 179.45 180.28 1npr h LEU 149 N -0.24 0.07 0.09 2.94 5.85 -1.92 0.42 115.31 122.53 1npr h LEU 149 Ca -0.01 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1npr h LEU 149 Cb 0.19 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1npr h LEU 149 CO 0.02 0.05 -0.14 0.25 -0.34 0.00 0.00 178.44 178.28 1npr h LEU 150 N 0.30 -0.39 -1.41 2.25 6.46 -1.03 0.20 115.31 121.68 1npr h LEU 150 Ca 0.30 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1npr h LEU 150 Cb 0.43 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1npr h LEU 150 CO -0.36 -0.21 0.41 0.24 -0.62 0.00 0.00 178.44 177.89 1npr h MET 151 N -0.29 0.78 -0.32 1.25 2.86 -0.54 -0.09 114.93 118.58 1npr h MET 151 Ca 0.02 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1npr h MET 151 Cb 0.30 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1npr h MET 151 CO -0.07 0.51 -0.19 0.00 1.06 0.00 0.00 176.91 178.22 1npr h ALA 152 N 1.62 0.46 -0.16 6.32 0.00 -0.23 -1.13 119.26 126.15 1npr h ALA 152 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1npr h ALA 152 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1npr h ALA 152 CO -0.06 0.39 0.10 0.82 0.00 0.00 0.00 179.25 180.51 1npr h ILE 153 N 0.46 1.05 0.00 0.00 2.04 0.19 -2.12 117.51 119.13 1npr h ILE 153 Ca 0.07 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1npr h ILE 153 Cb 0.73 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1npr h ILE 153 CO 0.05 0.05 -0.18 -0.33 0.00 0.00 0.00 178.15 177.74 1npr h GLU 154 N 0.21 0.00 -0.01 2.37 5.08 -0.95 -2.10 114.58 119.18 1npr h GLU 154 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1npr h GLU 154 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1npr h GLU 154 CO -0.01 0.18 -0.19 0.36 -1.00 0.00 0.00 179.01 178.35 1npr n LYS 155 N -4.09 0.76 -2.52 2.33 2.85 -0.44 -4.84 118.16 112.21 1npr n LYS 155 Ca -0.02 -0.37 -0.42 0.00 -1.05 0.00 0.00 58.31 56.45 1npr n LYS 155 Cb 0.26 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1npr n LYS 155 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1npr s THR 156 N -2.49 4.33 0.05 0.58 2.01 -0.79 -4.98 115.64 114.35 1npr s THR 156 Ca 0.26 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1npr s THR 156 Cb 0.20 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 1npr s THR 156 CO 0.50 0.13 1.73 -2.16 -0.69 0.00 0.00 174.62 174.13 1npr s PRO 157 N 1.08 4.18 0.00 4.92 0.04 -1.26 -2.10 135.00 141.85 1npr s PRO 157 Ca 0.56 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.99 1npr s PRO 157 Cb -0.26 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1npr s PRO 157 CO 0.28 -0.81 0.00 0.72 0.04 0.00 0.00 177.00 177.23 1npr n HIS 158 N 6.27 0.00 -5.25 0.56 8.25 -1.26 -4.60 115.22 119.19 1npr n HIS 158 Ca 0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.32 1npr n HIS 158 Cb 0.41 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.35 1npr n HIS 158 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1npr s VAL 159 N -2.23 2.09 -0.12 1.59 1.01 -0.89 -1.40 120.40 120.45 1npr s VAL 159 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1npr s VAL 159 Cb 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1npr s VAL 159 CO 0.00 0.57 -0.14 -0.26 0.00 0.00 0.00 175.10 175.27 1npr h PHE 160 N 6.07 0.00 0.00 5.22 0.04 -0.16 -3.44 116.94 124.68 1npr h PHE 160 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1npr h PHE 160 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1npr h PHE 160 CO 0.43 0.00 0.00 2.89 -0.60 0.00 0.00 178.31 181.03 1npr n ARG 161 N -4.30 0.00 -1.55 1.51 1.85 -1.21 -4.62 116.66 108.34 1npr n ARG 161 Ca -0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.49 1npr n ARG 161 Cb 0.21 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.71 1npr n ARG 161 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1npr s PRO 162 N -2.00 2.25 -0.02 2.89 0.04 -1.26 -1.06 135.00 135.83 1npr s PRO 162 Ca 0.00 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1npr s PRO 162 Cb 0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1npr s PRO 162 CO 0.00 -1.52 2.00 0.28 0.04 0.00 0.00 177.00 177.80 1npr n VAL 163 N -3.38 0.69 -3.80 -0.36 0.31 0.06 -4.79 118.33 107.06 1npr n VAL 163 Ca 0.07 -0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1npr n VAL 163 Cb 0.56 -2.29 -0.09 0.00 -0.91 0.00 0.00 33.84 31.11 1npr n VAL 163 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1npr s MET 164 N 4.71 4.11 -0.21 5.55 -1.94 -1.26 -2.44 119.30 127.82 1npr s MET 164 Ca 0.91 -0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1npr s MET 164 Cb -0.46 -3.38 0.06 0.00 2.01 0.00 0.00 34.83 33.06 1npr s MET 164 CO 0.42 0.25 -0.04 0.08 -0.01 0.00 0.00 175.02 175.73 1npr s VAL 165 N 0.47 1.25 -0.50 -6.03 1.01 -0.22 -4.66 120.40 111.71 1npr s VAL 165 Ca 0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1npr s VAL 165 Cb -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1npr s VAL 165 CO -0.00 -0.07 0.44 0.61 0.00 0.00 0.00 175.10 176.08 1npr n GLY 166 N 4.79 0.37 4.02 4.51 0.00 -1.26 -3.11 105.19 114.51 1npr n GLY 166 Ca -0.11 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1npr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1npr n GLY 167 N -1.07 -0.35 3.62 -0.02 0.00 -1.26 -4.95 105.19 101.17 1npr n GLY 167 Ca -0.01 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1npr n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1npr s LYS 168 N -6.65 0.78 0.46 1.61 2.47 -1.18 -5.10 119.74 112.12 1npr s LYS 168 Ca 0.36 1.08 -0.23 0.00 -1.56 0.00 0.00 55.97 55.61 1npr s LYS 168 Cb -0.19 0.30 -0.09 0.00 -1.46 0.00 0.00 37.83 36.38 1npr s LYS 168 CO 0.89 -0.12 0.98 -2.30 0.16 0.00 0.00 175.35 174.96 1npr n PRO 169 N 3.33 1.24 -5.03 4.03 -0.02 -1.26 -1.06 135.00 136.23 1npr n PRO 169 Ca -0.16 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 1npr n PRO 169 Cb 0.57 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1npr n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1npr s VAL 170 N -1.34 2.49 0.47 -1.45 0.11 -1.02 -4.77 120.40 114.88 1npr s VAL 170 Ca 0.65 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 1npr s VAL 170 Cb -0.53 -1.99 -0.08 0.00 -1.53 0.00 0.00 36.38 32.25 1npr s VAL 170 CO 0.55 0.55 1.10 -2.84 -3.33 0.00 0.00 175.10 171.13 1npr s PRO 171 N 0.28 3.79 0.27 1.54 0.02 -1.26 -4.54 135.00 135.10 1npr s PRO 171 Ca -0.14 1.59 0.08 0.00 0.02 0.00 0.00 61.00 62.55 1npr s PRO 171 Cb -0.17 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 1npr s PRO 171 CO 0.07 -0.48 0.15 -0.51 -0.33 0.00 0.00 177.00 175.90 1npr s LEU 172 N -3.18 3.61 0.31 -5.54 1.02 -0.36 -5.01 118.68 109.54 1npr s LEU 172 Ca 0.65 -0.40 -0.16 0.00 0.02 0.00 0.00 54.13 54.24 1npr s LEU 172 Cb -0.23 -2.15 -0.09 0.00 0.02 0.00 0.00 46.19 43.74 1npr s LEU 172 CO 0.28 -0.07 0.75 -0.54 0.02 0.00 0.00 176.35 176.79 1npr s LYS 173 N -3.82 4.06 0.24 1.70 1.02 -1.26 -4.37 119.74 117.31 1npr s LYS 173 Ca 0.33 0.73 -0.06 0.00 0.02 0.00 0.00 55.97 57.00 1npr s LYS 173 Cb -0.07 -2.50 0.33 0.00 -0.52 0.00 0.00 37.83 35.07 1npr s LYS 173 CO 0.24 0.19 1.83 1.49 -0.92 0.00 0.00 175.35 178.18 1npr h GLU 174 N 2.45 0.83 -0.61 1.68 4.57 -1.99 -1.69 114.58 119.82 1npr h GLU 174 Ca -0.48 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1npr h GLU 174 Cb 1.18 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1npr h GLU 174 CO 0.65 0.55 0.35 1.05 -1.18 0.00 0.00 179.01 180.43 1npr h GLU 175 N 0.85 0.85 -0.60 1.92 4.11 -1.98 0.14 114.58 119.87 1npr h GLU 175 Ca 0.37 -0.09 0.07 0.00 0.07 0.00 0.00 59.36 59.78 1npr h GLU 175 Cb 0.24 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1npr h GLU 175 CO -0.20 0.63 0.28 0.93 0.07 0.00 0.00 179.01 180.72 1npr h GLU 176 N 0.83 0.49 -0.06 1.06 5.08 -1.72 0.50 114.58 120.77 1npr h GLU 176 Ca 0.22 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1npr h GLU 176 Cb 0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1npr h GLU 176 CO -0.04 0.33 -0.05 0.28 -1.00 0.00 0.00 179.01 178.53 1npr h VAL 177 N 0.51 1.36 -0.45 3.13 2.07 -0.99 -1.59 116.25 120.30 1npr h VAL 177 Ca 0.28 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1npr h VAL 177 Cb 0.27 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1npr h VAL 177 CO -0.23 0.32 0.18 1.56 0.02 0.00 0.00 177.57 179.41 1npr h GLN 178 N -0.30 0.35 -0.76 1.57 1.08 -0.30 0.12 115.11 116.87 1npr h GLN 178 Ca 0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1npr h GLN 178 Cb 0.54 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 1npr h GLN 178 CO 0.01 0.23 0.41 -0.91 -0.95 0.00 0.00 178.83 177.62 1npr h ASN 179 N 0.36 0.94 -0.20 1.46 2.35 -0.01 0.38 115.58 120.85 1npr h ASN 179 Ca 0.21 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1npr h ASN 179 Cb 0.18 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1npr h ASN 179 CO -0.19 0.76 0.12 0.40 -1.65 0.00 0.00 177.43 176.87 1npr h ILE 180 N 1.06 1.09 -0.69 2.81 2.04 -0.12 0.33 117.51 124.03 1npr h ILE 180 Ca 0.27 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1npr h ILE 180 Cb 0.03 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1npr h ILE 180 CO -0.04 0.08 0.15 -0.07 0.00 0.00 0.00 178.15 178.27 1npr h LEU 181 N 0.24 1.06 -0.98 1.44 3.38 0.02 0.92 115.31 121.39 1npr h LEU 181 Ca 0.07 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1npr h LEU 181 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1npr h LEU 181 CO -0.01 1.03 -0.01 0.78 0.09 0.00 0.00 178.44 180.32 1npr h ASN 182 N 1.05 0.70 0.45 -0.43 2.35 0.04 -2.54 115.58 117.19 1npr h ASN 182 Ca 0.21 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1npr h ASN 182 Cb 0.40 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1npr h ASN 182 CO 0.01 0.77 -0.21 -0.61 -1.65 0.00 0.00 177.43 175.73 1npr h GLN 183 N 0.68 -0.58 -0.95 0.81 5.75 0.27 -2.91 115.11 118.20 1npr h GLN 183 Ca 0.14 0.04 0.25 0.00 -0.15 0.00 0.00 58.65 58.92 1npr h GLN 183 Cb 0.43 0.13 -0.17 0.00 1.07 0.00 0.00 27.48 28.94 1npr h GLN 183 CO 0.02 -0.36 0.02 0.82 -2.65 0.00 0.00 178.83 176.68 1npr h ILE 184 N -0.64 0.09 -2.21 2.39 1.08 -0.43 -3.25 117.51 114.54 1npr h ILE 184 Ca -0.06 -0.01 -0.59 0.00 -0.39 0.00 0.00 64.86 63.81 1npr h ILE 184 Cb 0.48 0.05 -0.42 0.00 -3.07 0.00 0.00 36.82 33.86 1npr h ILE 184 CO 0.10 0.01 -0.65 2.29 -0.69 0.00 0.00 178.15 179.20 1npr n LYS 185 N -5.46 2.68 -4.12 2.37 -0.00 -1.05 -4.81 118.16 107.77 1npr n LYS 185 Ca 0.21 -4.64 -0.08 0.00 -0.00 0.00 0.00 58.31 53.80 1npr n LYS 185 Cb 0.69 -2.19 -0.10 0.00 -0.00 0.00 0.00 35.03 33.44 1npr n LYS 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1npr s ARG 186 N -2.81 0.69 -1.01 -1.58 0.52 -1.22 -4.94 118.95 108.61 1npr s ARG 186 Ca 0.43 -1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 54.27 1npr s ARG 186 Cb 0.21 0.10 0.25 0.00 0.52 0.00 0.00 34.95 36.03 1npr s ARG 186 CO -0.07 -0.09 0.99 0.20 0.02 0.00 0.00 175.30 176.35 1npr s GLY 187 N -2.96 2.99 -0.57 -3.53 0.00 -1.26 -4.99 107.32 97.01 1npr s GLY 187 Ca 0.09 -3.63 -0.09 0.00 0.00 0.00 0.00 44.72 41.09 1npr s GLY 187 CO -0.08 1.32 1.31 3.33 0.00 0.00 0.00 173.10 178.99 1npr n VAL 188 N 3.24 0.00 -0.47 1.40 0.24 -1.26 -4.90 118.33 116.58 1npr n VAL 188 Ca 0.20 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1npr n VAL 188 Cb 0.42 -0.08 0.27 0.00 -1.47 0.00 0.00 33.84 32.98 1npr n VAL 188 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1npr s LYS 189 N 4.31 -1.68 0.85 7.34 3.01 -1.26 -4.97 119.74 127.34 1npr s LYS 189 Ca 0.76 0.61 -0.13 0.00 -1.01 0.00 0.00 55.97 56.20 1npr s LYS 189 Cb -0.55 -1.48 0.08 0.00 -1.01 0.00 0.00 37.83 34.87 1npr s LYS 189 CO 0.31 -4.17 1.00 -0.35 0.51 0.00 0.00 175.35 172.66 1npr n PRO 190 N -5.20 -0.06 -0.76 -1.68 -0.04 -1.26 -4.82 135.00 121.18 1npr n PRO 190 Ca 0.05 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1npr n PRO 190 Cb 0.56 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 1npr n PRO 190 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1npr n SER 191 N -2.97 4.60 -1.22 3.54 7.64 -1.26 -4.87 113.62 119.07 1npr n SER 191 Ca 0.12 -2.26 0.16 0.00 1.01 0.00 0.00 58.87 57.90 1npr n SER 191 Cb 0.51 -1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 62.59 1npr n SER 191 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1npr n LYS 192 N 3.35 -2.61 -2.71 1.43 5.02 -1.26 -4.74 118.16 116.65 1npr n LYS 192 Ca 0.40 1.90 -0.15 0.00 -2.02 0.00 0.00 58.31 58.43 1npr n LYS 192 Cb 0.38 -3.13 0.01 0.00 -0.02 0.00 0.00 35.03 32.28 1npr n LYS 192 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1npr n VAL 193 N -3.97 1.26 -2.56 -0.18 0.31 -1.26 -5.01 118.33 106.92 1npr n VAL 193 Ca -0.02 -3.84 -0.42 0.00 -0.01 0.00 0.00 64.34 60.04 1npr n VAL 193 Cb 0.57 -0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.45 1npr n VAL 193 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1npr s GLU 194 N -3.14 4.43 0.00 5.55 2.02 -1.26 -4.57 118.70 121.73 1npr s GLU 194 Ca 0.35 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1npr s GLU 194 Cb 0.42 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1npr s GLU 194 CO -0.04 -0.30 0.00 1.19 0.02 0.00 0.00 175.26 176.13 1npr n PHE 195 N 4.67 0.00 -3.76 1.61 3.72 -1.26 -5.09 117.46 117.35 1npr n PHE 195 Ca 0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.37 1npr n PHE 195 Cb 0.48 -1.56 -0.12 0.00 -0.94 0.00 0.00 39.48 37.34 1npr n PHE 195 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1npr s GLU 196 N -2.29 0.30 0.10 -1.08 -1.05 -1.26 -4.97 118.70 108.45 1npr s GLU 196 Ca 0.00 0.46 -0.19 0.00 -0.15 0.00 0.00 54.97 55.09 1npr s GLU 196 Cb 0.00 0.07 -0.11 0.00 -0.44 0.00 0.00 34.13 33.65 1npr s GLU 196 CO 0.00 -0.08 0.40 1.17 0.95 0.00 0.00 175.26 177.69 1npr n LYS 197 N 3.39 0.00 0.00 -4.83 4.81 -1.26 -1.89 118.16 118.38 1npr n LYS 197 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1npr n LYS 197 Cb 0.56 -0.68 0.00 0.00 0.02 0.00 0.00 35.03 34.93 1npr n LYS 197 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1npr n GLY 198 N 1.16 3.26 3.75 3.14 0.00 0.43 -4.98 105.19 111.95 1npr n GLY 198 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1npr n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1npr n ASP 199 N 0.04 3.80 -4.69 1.61 8.00 -0.79 -4.60 116.55 119.91 1npr n ASP 199 Ca 0.00 1.16 -0.38 0.00 0.71 0.00 0.00 54.79 56.28 1npr n ASP 199 Cb 0.00 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 39.44 1npr n ASP 199 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1npr s GLN 200 N -0.85 4.26 0.31 -1.24 -0.21 -1.26 -0.91 119.66 119.77 1npr s GLN 200 Ca 0.62 0.38 0.04 0.00 0.02 0.00 0.00 55.36 56.42 1npr s GLN 200 Cb -0.50 -3.49 -0.06 0.00 1.00 0.00 0.00 33.01 29.96 1npr s GLN 200 CO 0.52 0.03 0.03 0.14 -2.12 0.00 0.00 175.29 173.89 1npr s VAL 201 N 1.06 1.29 -0.07 1.09 -7.23 0.73 -1.05 120.40 116.22 1npr s VAL 201 Ca 0.24 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1npr s VAL 201 Cb -0.15 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1npr s VAL 201 CO 0.09 -0.09 -0.16 -0.60 -0.31 0.00 0.00 175.10 174.04 1npr s ARG 202 N -3.85 2.01 -0.17 4.82 3.52 0.74 -1.42 118.95 124.60 1npr s ARG 202 Ca 0.34 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 1npr s ARG 202 Cb 0.08 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.83 1npr s ARG 202 CO 0.14 0.11 1.15 0.08 -0.81 0.00 0.00 175.30 175.97 1npr s VAL 203 N 0.45 4.47 -1.17 7.11 1.01 0.13 -0.53 120.40 131.87 1npr s VAL 203 Ca -0.13 1.78 0.19 0.00 0.00 0.00 0.00 61.98 63.81 1npr s VAL 203 Cb -0.15 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 1npr s VAL 203 CO 0.05 -0.12 0.84 2.30 0.00 0.00 0.00 175.10 178.17 1npr n ILE 204 N 5.16 0.00 -3.92 2.22 -5.35 0.25 0.19 119.36 117.91 1npr n ILE 204 Ca 0.12 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 1npr n ILE 204 Cb 0.46 1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 39.33 1npr n ILE 204 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1npr s GLU 205 N -2.55 0.45 0.09 6.28 2.02 -1.00 -4.85 118.70 119.14 1npr s GLU 205 Ca 0.10 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1npr s GLU 205 Cb 0.14 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.55 1npr s GLU 205 CO 0.66 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1npr n GLY 206 N 1.35 -3.18 0.20 -1.39 0.00 -1.26 -4.20 105.19 96.70 1npr n GLY 206 Ca -0.22 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.05 1npr n GLY 206 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1npr h PRO 207 N 0.00 0.00 -0.72 1.61 0.11 -2.00 -1.75 132.00 129.24 1npr h PRO 207 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1npr h PRO 207 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1npr h PRO 207 CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 1npr n PHE 208 N -2.46 0.96 -1.57 0.65 3.72 -1.26 -4.99 117.46 112.50 1npr n PHE 208 Ca -0.01 -0.48 -0.48 0.00 -0.05 0.00 0.00 57.45 56.43 1npr n PHE 208 Cb 0.09 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1npr n PHE 208 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1npr n MET 209 N 1.61 1.08 0.00 -1.08 1.56 -0.66 -1.61 117.12 118.01 1npr n MET 209 Ca 0.24 0.38 0.00 0.00 -0.27 0.00 0.00 57.70 58.05 1npr n MET 209 Cb 0.61 -1.83 0.00 0.00 2.15 0.00 0.00 33.22 34.15 1npr n MET 209 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1npr n ASN 210 N 1.88 0.00 -4.82 6.12 3.02 0.50 -4.95 115.26 117.01 1npr n ASN 210 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.37 1npr n ASN 210 Cb 0.25 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1npr n ASN 210 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1npr s PHE 211 N -2.06 3.27 0.36 3.10 0.08 -0.63 -4.76 117.98 117.34 1npr s PHE 211 Ca 0.00 1.57 0.08 0.00 0.12 0.00 0.00 56.93 58.70 1npr s PHE 211 Cb 0.00 -2.88 -0.06 0.00 -0.57 0.00 0.00 43.02 39.51 1npr s PHE 211 CO 0.00 -0.36 0.06 0.95 -0.10 0.00 0.00 175.22 175.77 1npr s THR 212 N -2.26 2.51 -0.04 0.64 -4.23 -1.26 -0.69 115.64 110.30 1npr s THR 212 Ca 0.62 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1npr s THR 212 Cb -0.11 -2.87 0.05 0.00 1.34 0.00 0.00 72.50 70.91 1npr s THR 212 CO 0.20 -0.13 0.69 0.61 -0.54 0.00 0.00 174.62 175.44 1npr n GLY 213 N -1.03 0.30 3.25 3.99 0.00 -0.51 -0.47 105.19 110.72 1npr n GLY 213 Ca -0.03 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1npr n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1npr s THR 214 N -2.03 1.71 -0.06 2.61 -4.23 -0.80 -0.19 115.64 112.64 1npr s THR 214 Ca 0.16 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.29 1npr s THR 214 Cb -0.00 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 1npr s THR 214 CO -0.01 0.33 1.63 -0.69 -0.54 0.00 0.00 174.62 175.35 1npr s VAL 215 N -0.67 3.61 -0.14 2.29 1.01 -0.08 -0.76 120.40 125.66 1npr s VAL 215 Ca 0.08 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 1npr s VAL 215 Cb -0.09 -3.48 -0.25 0.00 0.00 0.00 0.00 36.38 32.57 1npr s VAL 215 CO 0.01 -0.07 0.28 -0.62 0.00 0.00 0.00 175.10 174.71 1npr n GLU 216 N 7.09 0.74 -3.67 2.72 -0.58 0.30 -0.43 120.64 126.82 1npr n GLU 216 Ca 0.17 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 57.07 1npr n GLU 216 Cb 0.43 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 29.52 1npr n GLU 216 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1npr s GLU 217 N -2.55 0.55 0.43 3.49 2.12 -1.12 -4.83 118.70 116.79 1npr s GLU 217 Ca -0.24 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.05 1npr s GLU 217 Cb 0.07 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 1npr s GLU 217 CO 0.74 -0.15 0.68 0.08 -0.54 0.00 0.00 175.26 176.08 1npr s VAL 218 N 1.43 4.71 -0.40 3.70 1.01 -1.26 -1.52 120.40 128.07 1npr s VAL 218 Ca -0.09 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1npr s VAL 218 Cb -0.07 -3.76 0.27 0.00 0.00 0.00 0.00 36.38 32.82 1npr s VAL 218 CO -0.15 -0.61 0.61 1.41 0.00 0.00 0.00 175.10 176.36 1npr n HIS 219 N -2.07 -0.73 -0.26 5.22 -0.00 -0.90 -4.96 115.22 111.51 1npr n HIS 219 Ca -0.01 -3.33 0.04 0.00 -0.00 0.00 0.00 57.72 54.42 1npr n HIS 219 Cb 0.56 -0.06 0.14 0.00 -0.00 0.00 0.00 29.99 30.63 1npr n HIS 219 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1npr h PRO 220 N 3.82 0.06 -3.06 -0.41 0.11 -1.97 0.31 132.00 130.86 1npr h PRO 220 Ca 0.04 -0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.45 1npr h PRO 220 Cb 0.92 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1npr h PRO 220 CO 0.44 0.04 3.27 0.39 -0.21 0.00 0.00 178.00 181.94 1npr n GLU 221 N -5.40 3.83 0.00 1.05 4.71 -1.26 -2.49 120.64 121.08 1npr n GLU 221 Ca 0.13 -2.67 0.00 0.00 -0.01 0.00 0.00 57.16 54.61 1npr n GLU 221 Cb 0.45 -2.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.06 1npr n GLU 221 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1npr n LYS 222 N 3.42 0.00 -3.97 3.49 4.81 -0.90 -5.00 118.16 120.01 1npr n LYS 222 Ca 0.69 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.85 1npr n LYS 222 Cb 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.30 1npr n LYS 222 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1npr n ARG 223 N 0.00 -3.71 -4.22 1.64 1.74 0.05 -4.97 116.66 107.19 1npr n ARG 223 Ca 0.00 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1npr n ARG 223 Cb 0.00 -4.82 -0.10 0.00 -1.02 0.00 0.00 32.46 26.52 1npr n ARG 223 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1npr s LYS 224 N -6.57 0.97 0.06 5.56 1.02 -1.20 -1.97 119.74 117.62 1npr s LYS 224 Ca 0.22 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 54.89 1npr s LYS 224 Cb -0.12 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.65 1npr s LYS 224 CO 0.88 0.06 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.74 1npr s LEU 225 N -2.98 2.28 -0.50 3.17 1.43 0.27 -2.13 118.68 120.22 1npr s LEU 225 Ca 0.13 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1npr s LEU 225 Cb 0.02 -0.38 0.10 0.00 0.03 0.00 0.00 46.19 45.96 1npr s LEU 225 CO -0.01 -0.13 0.43 -0.89 0.23 0.00 0.00 176.35 175.98 1npr s THR 226 N -1.38 5.07 -0.15 5.49 2.01 -0.58 -0.95 115.64 125.15 1npr s THR 226 Ca -0.04 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.57 1npr s THR 226 Cb -0.10 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1npr s THR 226 CO 0.01 -0.73 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.47 1npr s VAL 227 N 1.58 3.72 -0.61 3.82 1.01 0.38 0.11 120.40 130.40 1npr s VAL 227 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 1npr s VAL 227 Cb -0.27 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1npr s VAL 227 CO 0.04 0.50 1.03 -0.32 0.00 0.00 0.00 175.10 176.35 1npr s MET 228 N 0.33 3.27 -0.02 2.72 -2.45 0.06 0.65 119.30 123.86 1npr s MET 228 Ca -0.05 -0.37 -0.19 0.00 -1.25 0.00 0.00 55.69 53.83 1npr s MET 228 Cb -0.14 -4.12 -0.05 0.00 1.25 0.00 0.00 34.83 31.76 1npr s MET 228 CO 0.04 -1.70 0.52 0.42 1.05 0.00 0.00 175.02 175.35 1npr s ILE 229 N 4.36 4.99 -0.63 10.11 1.01 0.16 -1.91 121.20 139.29 1npr s ILE 229 Ca 0.30 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 1npr s ILE 229 Cb -0.13 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.57 1npr s ILE 229 CO 0.17 0.44 0.89 -0.55 0.00 0.00 0.00 174.94 175.89 1npr s SER 230 N -0.26 6.18 -1.24 3.58 0.15 0.38 1.00 113.70 123.49 1npr s SER 230 Ca 0.28 -1.07 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 1npr s SER 230 Cb -0.17 -2.39 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 1npr s SER 230 CO 0.15 -1.34 1.62 -0.38 1.20 0.00 0.00 173.24 174.49 1npr n ILE 231 N 5.83 4.27 -3.74 6.45 5.41 -0.95 -4.27 119.36 132.37 1npr n ILE 231 Ca -0.05 -4.56 -0.23 0.00 1.00 0.00 0.00 62.75 58.91 1npr n ILE 231 Cb 0.45 -2.42 0.03 0.00 -0.71 0.00 0.00 39.64 36.98 1npr n ILE 231 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1npr n PHE 232 N 5.09 -1.97 0.00 1.39 3.72 -1.26 -1.89 117.46 122.53 1npr n PHE 232 Ca 0.39 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.64 1npr n PHE 232 Cb 0.40 -4.33 0.00 0.00 -0.94 0.00 0.00 39.48 34.61 1npr n PHE 232 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1npr n GLY 233 N -1.60 3.01 3.56 1.37 0.00 -1.26 -4.97 105.19 105.29 1npr n GLY 233 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1npr n GLY 233 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1npr s ARG 234 N -0.20 3.62 -0.09 1.61 3.00 -0.79 -4.94 118.95 121.16 1npr s ARG 234 Ca 0.00 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.73 53.22 1npr s ARG 234 Cb 0.00 -5.38 -0.08 0.00 0.00 0.00 0.00 34.95 29.50 1npr s ARG 234 CO 0.00 -2.23 2.08 -1.33 0.00 0.00 0.00 175.30 173.82 1npr n MET 235 N 8.83 2.40 -3.89 5.12 2.81 -1.26 -2.24 117.12 128.90 1npr n MET 235 Ca 0.35 0.80 -0.28 0.00 -1.81 0.00 0.00 57.70 56.76 1npr n MET 235 Cb 0.50 -3.07 -0.17 0.00 -0.71 0.00 0.00 33.22 29.78 1npr n MET 235 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1npr s THR 236 N 6.14 1.08 -0.03 2.03 2.01 0.28 -4.90 115.64 122.26 1npr s THR 236 Ca 0.95 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1npr s THR 236 Cb -0.42 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1npr s THR 236 CO 0.40 0.16 1.35 -2.16 -0.69 0.00 0.00 174.62 173.67 1npr s PRO 237 N 1.65 4.30 0.04 4.92 0.04 -1.26 0.40 135.00 145.08 1npr s PRO 237 Ca 0.01 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.96 1npr s PRO 237 Cb -0.15 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 1npr s PRO 237 CO -0.08 -0.55 -0.10 0.08 0.04 0.00 0.00 177.00 176.39 1npr s VAL 238 N 2.45 0.75 -0.34 -0.36 1.01 0.21 -4.92 120.40 119.19 1npr s VAL 238 Ca 0.61 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1npr s VAL 238 Cb -0.29 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1npr s VAL 238 CO 0.25 -0.16 0.42 -1.61 0.00 0.00 0.00 175.10 174.00 1npr s GLU 239 N -1.20 3.62 0.23 2.72 0.41 -1.26 -0.47 118.70 122.75 1npr s GLU 239 Ca -0.04 -0.28 0.07 0.00 -0.41 0.00 0.00 54.97 54.32 1npr s GLU 239 Cb -0.08 -3.79 -0.05 0.00 -1.78 0.00 0.00 34.13 28.43 1npr s GLU 239 CO 0.01 -0.55 -0.11 -0.51 -0.49 0.00 0.00 175.26 173.60 1npr s LEU 240 N 2.17 2.52 0.13 1.80 1.43 -0.13 -4.93 118.68 121.66 1npr s LEU 240 Ca 0.15 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 1npr s LEU 240 Cb -0.16 -0.65 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1npr s LEU 240 CO 0.12 -0.24 0.52 -1.81 0.23 0.00 0.00 176.35 175.18 1npr s ASP 241 N -3.36 6.81 0.46 2.29 1.01 -1.26 0.96 116.67 123.58 1npr s ASP 241 Ca 0.25 1.04 0.29 0.00 0.71 0.00 0.00 52.55 54.84 1npr s ASP 241 Cb 0.01 -2.28 1.37 0.00 1.01 0.00 0.00 42.92 43.03 1npr s ASP 241 CO 0.08 0.13 1.71 -0.26 0.21 0.00 0.00 175.17 177.05 1npr h PHE 242 N 3.69 0.40 -0.00 4.23 -1.00 -1.72 0.90 116.94 123.43 1npr h PHE 242 Ca -0.49 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1npr h PHE 242 Cb 1.20 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1npr h PHE 242 CO 0.66 -0.05 -0.00 -0.40 -1.61 0.00 0.00 178.31 176.91 1npr n ASP 243 N -4.48 0.44 -0.74 2.17 5.68 -1.26 -3.76 116.55 114.59 1npr n ASP 243 Ca 0.31 -1.11 0.06 0.00 -0.50 0.00 0.00 54.79 53.55 1npr n ASP 243 Cb 1.24 -0.01 0.19 0.00 -1.14 0.00 0.00 41.12 41.40 1npr n ASP 243 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1npr n GLN 244 N -0.67 2.91 -4.25 0.11 10.64 0.31 -4.89 117.38 121.54 1npr n GLN 244 Ca 0.22 -2.25 -0.14 0.00 -1.83 0.00 0.00 57.00 53.00 1npr n GLN 244 Cb 0.19 -1.41 -0.10 0.00 -0.86 0.00 0.00 30.24 28.06 1npr n GLN 244 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1npr s VAL 245 N -1.38 0.52 -0.01 -0.39 -7.23 -1.25 -0.58 120.40 110.07 1npr s VAL 245 Ca 0.29 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1npr s VAL 245 Cb 0.17 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1npr s VAL 245 CO 0.15 -0.29 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.81 1npr s GLU 246 N -3.99 0.21 0.99 4.82 -1.05 0.31 -4.80 118.70 115.19 1npr s GLU 246 Ca 0.29 -0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 54.98 1npr s GLU 246 Cb 0.07 -0.27 0.19 0.00 -0.44 0.00 0.00 34.13 33.67 1npr s GLU 246 CO 0.07 -0.01 1.10 0.15 0.95 0.00 0.00 175.26 177.52 1npr s LYS 247 N 0.31 0.43 0.00 -4.83 1.02 -1.26 -0.19 119.74 115.23 1npr s LYS 247 Ca -0.03 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1npr s LYS 247 Cb -0.05 -1.68 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1npr s LYS 247 CO -0.01 -2.92 0.00 0.44 -0.92 0.00 0.00 175.35 171.94