#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bry s VAL 2 N 0.00 0.68 0.15 2.53 -7.23 -0.57 -5.00 120.40 110.95 1bry s VAL 2 Ca 0.00 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.94 1bry s VAL 2 Cb 0.00 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1bry s VAL 2 CO 0.00 -0.45 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.74 1bry s SER 3 N -1.91 2.31 -0.09 4.85 0.01 -1.26 -0.19 113.70 117.42 1bry s SER 3 Ca -0.04 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.32 1bry s SER 3 Cb -0.07 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.10 1bry s SER 3 CO -0.00 -0.11 0.20 0.12 0.41 0.00 0.00 173.24 173.86 1bry s PHE 4 N -2.23 -0.27 -0.13 2.43 5.36 -0.37 -4.81 117.98 117.96 1bry s PHE 4 Ca 0.13 0.68 -0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1bry s PHE 4 Cb -0.04 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.59 1bry s PHE 4 CO 0.05 -0.22 -0.12 1.03 -1.46 0.00 0.00 175.22 174.49 1bry s ARG 5 N 1.38 3.39 0.16 10.12 0.52 -1.26 -1.44 118.95 131.82 1bry s ARG 5 Ca -0.08 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1bry s ARG 5 Cb -0.11 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1bry s ARG 5 CO -0.07 0.19 1.36 -0.07 0.02 0.00 0.00 175.30 176.73 1bry h LEU 6 N 6.77 0.34 -9.08 2.53 -0.00 -1.17 -3.36 115.31 111.34 1bry h LEU 6 Ca -0.27 -0.27 -0.56 0.00 -0.00 0.00 0.00 57.88 56.78 1bry h LEU 6 Cb 1.21 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 1bry h LEU 6 CO 0.56 1.06 1.13 -0.55 -0.00 0.00 0.00 178.44 180.65 1bry s SER 7 N -6.97 6.40 0.00 -0.43 0.15 -1.26 -1.26 113.70 110.33 1bry s SER 7 Ca -0.04 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1bry s SER 7 Cb 0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1bry s SER 7 CO 0.84 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1bry n GLY 8 N 4.59 0.74 3.76 9.45 0.00 -1.26 -5.03 105.19 117.45 1bry n GLY 8 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1bry n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bry s ALA 9 N -2.29 3.17 0.23 4.61 0.00 -0.39 -5.00 121.76 122.10 1bry s ALA 9 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1bry s ALA 9 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1bry s ALA 9 CO 0.00 -1.03 0.13 0.95 0.00 0.00 0.00 175.76 175.81 1bry s THR 10 N -1.27 0.21 0.25 0.00 -4.23 -1.26 -5.00 115.64 104.34 1bry s THR 10 Ca 0.61 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1bry s THR 10 Cb -0.40 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.14 1bry s THR 10 CO 0.50 0.00 1.88 0.74 -0.54 0.00 0.00 174.62 177.20 1bry h THR 11 N 2.49 1.10 -0.30 3.99 2.02 -1.95 -1.22 112.91 119.04 1bry h THR 11 Ca -0.36 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1bry h THR 11 Cb 1.25 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1bry h THR 11 CO 0.55 0.20 -0.01 0.74 0.37 0.00 0.00 175.52 177.38 1bry h THR 12 N 1.12 1.26 -0.26 3.16 2.02 -1.96 -2.03 112.91 116.22 1bry h THR 12 Ca 0.39 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 1bry h THR 12 Cb 0.11 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1bry h THR 12 CO -0.15 0.31 -0.13 0.77 0.37 0.00 0.00 175.52 176.69 1bry h SER 13 N 0.33 0.41 -0.51 4.18 4.64 -1.84 -1.09 113.55 119.65 1bry h SER 13 Ca 0.08 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1bry h SER 13 Cb 0.45 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1bry h SER 13 CO 0.02 0.57 0.06 0.22 -0.87 0.00 0.00 176.83 176.82 1bry h TYR 14 N 0.40 0.93 -0.91 4.77 3.20 -1.07 -0.86 116.97 123.43 1bry h TYR 14 Ca 0.08 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.81 1bry h TYR 14 Cb 0.46 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1bry h TYR 14 CO 0.01 0.85 0.60 0.78 -1.64 0.00 0.00 178.16 178.76 1bry h GLY 15 N 0.75 1.28 1.02 1.82 0.00 -0.68 -1.49 103.07 105.76 1bry h GLY 15 Ca 0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1bry h GLY 15 CO 0.02 0.47 0.18 -2.08 0.00 0.00 0.00 176.54 175.13 1bry h VAL 16 N 1.23 1.25 -0.19 4.60 2.07 -0.97 -0.58 116.25 123.66 1bry h VAL 16 Ca 0.33 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1bry h VAL 16 Cb -0.14 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bry h VAL 16 CO -0.07 0.33 0.06 0.15 0.02 0.00 0.00 177.57 178.06 1bry h PHE 17 N 0.90 0.12 -0.56 1.57 3.57 -0.70 -0.00 116.94 121.83 1bry h PHE 17 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1bry h PHE 17 Cb 0.31 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1bry h PHE 17 CO 0.02 0.06 0.06 0.82 -2.23 0.00 0.00 178.31 177.04 1bry h ILE 18 N 0.16 1.25 -0.45 1.41 1.08 -1.07 0.58 117.51 120.45 1bry h ILE 18 Ca 0.08 -0.99 -0.03 0.00 -0.39 0.00 0.00 64.86 63.54 1bry h ILE 18 Cb 0.05 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1bry h ILE 18 CO -0.08 0.36 0.16 0.50 -0.69 0.00 0.00 178.15 178.40 1bry h LYS 19 N 0.86 0.68 -0.80 2.37 3.64 -0.87 -0.45 116.57 122.01 1bry h LYS 19 Ca 0.17 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1bry h LYS 19 Cb 0.42 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1bry h LYS 19 CO 0.01 0.64 0.47 -0.91 -2.27 0.00 0.00 179.45 177.39 1bry h ASN 20 N 0.58 0.97 0.38 4.20 2.35 -0.52 -0.83 115.58 122.71 1bry h ASN 20 Ca 0.15 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1bry h ASN 20 Cb 0.22 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1bry h ASN 20 CO -0.01 0.76 -0.18 0.25 -1.65 0.00 0.00 177.43 176.59 1bry h LEU 21 N 1.10 -0.43 -0.63 1.61 6.46 -0.54 -1.06 115.31 121.81 1bry h LEU 21 Ca 0.29 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.11 1bry h LEU 21 Cb -0.03 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1bry h LEU 21 CO -0.05 -0.27 0.30 0.03 -0.62 0.00 0.00 178.44 177.82 1bry h ARG 22 N -0.56 0.52 0.00 1.25 3.08 -0.90 -1.51 114.38 116.26 1bry h ARG 22 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1bry h ARG 22 Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1bry h ARG 22 CO 0.09 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.72 1bry n GLU 23 N -4.90 0.01 0.06 0.04 1.02 -0.33 -1.95 120.64 114.59 1bry n GLU 23 Ca 0.09 0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 1bry n GLU 23 Cb 0.23 -1.52 0.36 0.00 -0.02 0.00 0.00 31.44 30.49 1bry n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bry n ALA 24 N -1.52 2.63 -2.69 0.62 0.00 -0.42 -4.82 120.51 114.31 1bry n ALA 24 Ca 0.04 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1bry n ALA 24 Cb 0.22 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1bry n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bry s LEU 25 N -3.96 4.30 0.45 0.00 1.43 -0.82 -5.03 118.68 115.04 1bry s LEU 25 Ca 0.10 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 53.84 1bry s LEU 25 Cb 0.15 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.56 1bry s LEU 25 CO 0.63 0.03 0.99 -2.16 0.23 0.00 0.00 176.35 176.07 1bry s PRO 26 N 0.46 4.06 0.05 1.29 0.04 -1.26 -5.05 135.00 134.59 1bry s PRO 26 Ca 0.26 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.57 1bry s PRO 26 Cb -0.15 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1bry s PRO 26 CO 0.11 -0.19 -0.09 1.52 0.04 0.00 0.00 177.00 178.39 1bry s TYR 27 N -2.07 0.79 0.07 0.56 -0.85 -1.26 -3.87 117.35 110.71 1bry s TYR 27 Ca 0.64 -0.51 -0.18 0.00 -0.52 0.00 0.00 57.07 56.50 1bry s TYR 27 Cb -0.13 -0.46 -0.12 0.00 0.38 0.00 0.00 41.96 41.63 1bry s TYR 27 CO 0.16 -0.06 1.37 0.93 -1.52 0.00 0.00 175.55 176.44 1bry h GLU 28 N 4.38 0.52 0.00 -3.49 5.08 -1.28 -3.47 114.58 116.32 1bry h GLU 28 Ca -0.37 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1bry h GLU 28 Cb 1.20 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1bry h GLU 28 CO 0.42 0.87 0.01 2.89 -1.00 0.00 0.00 179.01 182.20 1bry n ARG 29 N -4.41 0.00 -5.10 2.33 1.85 -1.26 -5.04 116.66 105.04 1bry n ARG 29 Ca -0.05 -0.01 -0.32 0.00 -1.00 0.00 0.00 57.85 56.47 1bry n ARG 29 Cb 0.42 0.02 -0.15 0.00 -1.05 0.00 0.00 32.46 31.71 1bry n ARG 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1bry s LYS 30 N -2.00 2.23 -0.21 2.89 1.02 -1.26 -0.55 119.74 121.86 1bry s LYS 30 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1bry s LYS 30 Cb -0.00 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 1bry s LYS 30 CO 0.00 0.58 -0.16 0.08 -0.92 0.00 0.00 175.35 174.93 1bry s VAL 31 N -0.68 2.18 -1.56 3.17 1.01 0.37 -4.53 120.40 120.35 1bry s VAL 31 Ca 0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1bry s VAL 31 Cb -0.10 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1bry s VAL 31 CO 0.00 0.36 0.53 -1.22 0.00 0.00 0.00 175.10 174.77 1bry n TYR 32 N 4.58 -1.85 -1.39 5.22 4.01 -1.26 -1.19 117.16 125.28 1bry n TYR 32 Ca -0.19 0.46 -0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1bry n TYR 32 Cb 0.48 -4.31 -0.05 0.00 -0.31 0.00 0.00 39.34 35.15 1bry n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1bry n ASN 33 N -2.45 -4.50 -4.44 7.72 5.15 -1.26 -4.99 115.26 110.49 1bry n ASN 33 Ca -0.12 0.30 -0.34 0.00 -0.60 0.00 0.00 54.58 53.82 1bry n ASN 33 Cb 0.62 -3.12 -0.13 0.00 -0.53 0.00 0.00 39.78 36.62 1bry n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1bry s ILE 34 N -2.47 3.65 0.24 -1.44 1.01 -0.33 -5.03 121.20 116.83 1bry s ILE 34 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 1bry s ILE 34 Cb 0.00 -2.60 -0.12 0.00 0.01 0.00 0.00 42.46 39.75 1bry s ILE 34 CO 0.00 0.49 1.65 -2.65 0.00 0.00 0.00 174.94 174.43 1bry n PRO 35 N 3.75 2.69 -3.52 2.79 -0.02 -1.26 -0.48 135.00 138.95 1bry n PRO 35 Ca -0.18 0.96 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 1bry n PRO 35 Cb 0.52 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 1bry n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bry s LEU 36 N 0.41 4.56 0.78 2.45 2.96 0.29 -1.34 118.68 128.78 1bry s LEU 36 Ca 0.70 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 54.04 1bry s LEU 36 Cb -0.51 -2.15 0.07 0.00 0.50 0.00 0.00 46.19 44.09 1bry s LEU 36 CO 0.40 -0.26 1.16 -0.76 -1.32 0.00 0.00 176.35 175.58 1bry s LEU 37 N 1.74 3.15 0.53 -0.68 1.43 -0.41 -0.96 118.68 123.47 1bry s LEU 37 Ca 0.06 2.19 -0.21 0.00 -1.03 0.00 0.00 54.13 55.14 1bry s LEU 37 Cb -0.17 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 1bry s LEU 37 CO 0.11 -2.41 1.24 -0.13 0.23 0.00 0.00 176.35 175.39 1bry s ARG 38 N -4.28 3.33 0.08 1.70 1.81 -1.25 -4.16 118.95 116.18 1bry s ARG 38 Ca 0.69 1.93 -0.18 0.00 -1.72 0.00 0.00 55.73 56.46 1bry s ARG 38 Cb -0.25 -2.21 -0.08 0.00 -0.45 0.00 0.00 34.95 31.96 1bry s ARG 38 CO 0.50 -0.95 1.48 0.77 -0.68 0.00 0.00 175.30 176.43 1bry h SER 39 N 1.51 0.51 -4.90 0.23 0.02 -1.93 -3.43 113.55 105.55 1bry h SER 39 Ca -0.50 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.06 1bry h SER 39 Cb 1.28 -0.14 -0.17 0.00 0.14 0.00 0.00 62.40 63.51 1bry h SER 39 CO 0.58 0.75 0.25 -0.94 -1.14 0.00 0.00 176.83 176.32 1bry s SER 40 N -6.09 -0.59 0.02 3.07 1.04 -1.26 -4.79 113.70 105.09 1bry s SER 40 Ca -0.13 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1bry s SER 40 Cb 0.08 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1bry s SER 40 CO 0.77 -0.69 -0.03 -0.63 0.98 0.00 0.00 173.24 173.64 1bry s ILE 41 N -2.03 0.16 0.06 -1.02 1.01 -1.26 -5.12 121.20 113.01 1bry s ILE 41 Ca -0.06 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1bry s ILE 41 Cb -0.00 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 1bry s ILE 41 CO 0.02 -0.33 1.04 -0.44 0.00 0.00 0.00 174.94 175.23 1bry s SER 42 N -1.04 7.31 0.00 3.58 0.01 -1.26 -4.57 113.70 117.74 1bry s SER 42 Ca -0.10 1.83 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1bry s SER 42 Cb -0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1bry s SER 42 CO -0.01 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1bry n GLY 43 N 2.72 2.07 0.36 3.44 0.00 -1.26 -2.28 105.19 110.25 1bry n GLY 43 Ca 0.05 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1bry n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bry h SER 44 N 0.00 0.96 0.00 1.61 0.02 -1.93 -2.68 113.55 111.54 1bry h SER 44 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1bry h SER 44 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1bry h SER 44 CO 0.00 0.66 0.04 1.23 -1.14 0.00 0.00 176.83 177.62 1bry h GLY 45 N 1.12 0.00 2.00 -3.77 0.00 -1.82 -1.46 103.07 99.14 1bry h GLY 45 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1bry h GLY 45 CO -0.10 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.35 1bry h ARG 46 N 0.00 0.00 -6.78 4.80 2.43 -1.58 -3.46 114.38 109.79 1bry h ARG 46 Ca 0.00 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 1bry h ARG 46 Cb 0.08 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.42 1bry h ARG 46 CO 0.00 0.00 -0.84 0.71 -1.51 0.00 0.00 179.97 178.33 1bry s TYR 47 N -3.49 2.33 0.09 2.20 2.02 -0.55 -0.01 117.35 119.94 1bry s TYR 47 Ca 0.03 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1bry s TYR 47 Cb 0.09 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1bry s TYR 47 CO 0.52 0.41 -0.05 -0.08 -1.57 0.00 0.00 175.55 174.77 1bry s THR 48 N -1.30 0.56 -0.00 -0.71 -1.32 -0.25 -4.91 115.64 107.70 1bry s THR 48 Ca 0.17 -1.91 0.05 0.00 -1.21 0.00 0.00 61.69 58.80 1bry s THR 48 Cb -0.09 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.20 1bry s THR 48 CO 0.08 -0.88 -0.16 -0.76 -2.21 0.00 0.00 174.62 170.69 1bry s LEU 49 N -3.02 2.68 -0.18 9.08 1.43 -1.26 -1.10 118.68 126.31 1bry s LEU 49 Ca 0.11 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1bry s LEU 49 Cb 0.06 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1bry s LEU 49 CO -0.06 0.30 -0.11 -0.76 0.23 0.00 0.00 176.35 175.95 1bry s LEU 50 N -1.10 2.64 -0.37 1.79 1.43 -0.34 -1.51 118.68 121.21 1bry s LEU 50 Ca 0.13 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1bry s LEU 50 Cb -0.11 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1bry s LEU 50 CO 0.03 0.04 0.25 -1.00 0.23 0.00 0.00 176.35 175.90 1bry s HIS 51 N 1.11 3.23 -0.18 0.29 3.76 0.74 -0.49 115.29 123.75 1bry s HIS 51 Ca 0.01 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1bry s HIS 51 Cb -0.14 -2.50 -0.01 0.00 1.11 0.00 0.00 32.58 31.03 1bry s HIS 51 CO -0.03 -0.51 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.78 1bry s LEU 52 N 1.67 2.93 -0.13 0.89 1.43 -0.15 -1.23 118.68 124.09 1bry s LEU 52 Ca 0.05 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1bry s LEU 52 Cb -0.18 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1bry s LEU 52 CO 0.09 0.07 -0.16 -0.89 0.23 0.00 0.00 176.35 175.69 1bry s THR 53 N 0.97 2.70 0.97 5.49 2.01 -0.52 -1.03 115.64 126.23 1bry s THR 53 Ca -0.00 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 1bry s THR 53 Cb -0.15 -2.12 0.21 0.00 0.01 0.00 0.00 72.50 70.46 1bry s THR 53 CO 0.00 0.53 1.33 0.54 -0.69 0.00 0.00 174.62 176.33 1bry s ASN 54 N 0.49 3.00 0.44 3.53 2.20 -0.24 -0.74 114.94 123.62 1bry s ASN 54 Ca -0.11 0.20 0.10 0.00 -0.94 0.00 0.00 52.86 52.11 1bry s ASN 54 Cb -0.16 -0.20 0.97 0.00 -2.00 0.00 0.00 41.25 39.86 1bry s ASN 54 CO 0.05 -2.80 2.06 1.88 -2.94 0.00 0.00 177.10 175.35 1bry h TYR 55 N -1.68 0.40 0.00 1.54 0.05 -1.90 -1.12 116.97 114.26 1bry h TYR 55 Ca -0.44 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1bry h TYR 55 Cb 1.22 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1bry h TYR 55 CO -1.28 0.24 0.00 0.00 -1.05 0.00 0.00 178.16 176.07 1bry n ALA 56 N -2.50 2.53 -2.34 3.88 0.00 -1.26 -4.76 120.51 116.06 1bry n ALA 56 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1bry n ALA 56 Cb 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1bry n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bry n ASP 57 N -0.66 -3.81 -4.65 0.00 2.03 -0.42 -5.02 116.55 104.02 1bry n ASP 57 Ca 0.07 -0.05 -0.35 0.00 0.52 0.00 0.00 54.79 54.99 1bry n ASP 57 Cb 0.03 -2.94 -0.10 0.00 -0.72 0.00 0.00 41.12 37.39 1bry n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1bry s GLU 58 N -4.74 3.58 -0.01 -0.67 2.02 -1.26 -4.89 118.70 112.73 1bry s GLU 58 Ca 0.05 -0.37 0.08 0.00 0.02 0.00 0.00 54.97 54.74 1bry s GLU 58 Cb -0.02 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1bry s GLU 58 CO 0.06 0.44 -0.26 0.99 0.02 0.00 0.00 175.26 176.51 1bry s THR 59 N -0.14 2.05 0.07 3.63 2.01 -1.26 -1.08 115.64 120.92 1bry s THR 59 Ca 0.06 -1.13 0.09 0.00 0.31 0.00 0.00 61.69 61.02 1bry s THR 59 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1bry s THR 59 CO 0.02 0.56 -0.23 0.27 -0.69 0.00 0.00 174.62 174.54 1bry s ILE 60 N -0.63 2.42 -0.19 1.82 -4.36 -0.20 -4.53 121.20 115.54 1bry s ILE 60 Ca 0.10 -1.44 -0.04 0.00 -0.26 0.00 0.00 60.65 59.01 1bry s ILE 60 Cb -0.10 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 1bry s ILE 60 CO -0.01 0.26 -0.03 -0.44 0.24 0.00 0.00 174.94 174.96 1bry s SER 61 N -1.59 4.60 -0.18 4.36 0.01 -0.39 -0.97 113.70 119.53 1bry s SER 61 Ca 0.14 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 1bry s SER 61 Cb -0.10 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 1bry s SER 61 CO 0.05 0.07 0.03 -0.69 0.41 0.00 0.00 173.24 173.10 1bry s VAL 62 N 0.94 4.39 -0.16 3.43 1.01 0.36 0.01 120.40 130.38 1bry s VAL 62 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1bry s VAL 62 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1bry s VAL 62 CO 0.01 0.46 0.48 0.00 0.00 0.00 0.00 175.10 176.05 1bry s ALA 63 N 0.53 3.52 -0.04 5.51 0.00 0.01 -1.20 121.76 130.08 1bry s ALA 63 Ca 0.01 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1bry s ALA 63 Cb -0.13 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1bry s ALA 63 CO 0.02 -0.22 -0.19 0.08 0.00 0.00 0.00 175.76 175.45 1bry s VAL 64 N 1.12 1.55 -0.21 0.00 1.01 -0.26 -0.41 120.40 123.21 1bry s VAL 64 Ca 0.24 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1bry s VAL 64 Cb -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1bry s VAL 64 CO 0.09 0.44 1.06 -0.62 0.00 0.00 0.00 175.10 176.08 1bry s ASP 65 N -0.02 7.10 0.00 3.32 -1.08 -0.14 -1.10 116.67 124.75 1bry s ASP 65 Ca -0.03 1.43 0.19 0.00 -0.52 0.00 0.00 52.55 53.61 1bry s ASP 65 Cb -0.12 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.61 1bry s ASP 65 CO 0.02 -0.66 1.59 1.33 0.52 0.00 0.00 175.17 177.98 1bry n VAL 66 N 5.24 0.69 0.21 1.11 0.24 0.99 -0.44 118.33 126.37 1bry n VAL 66 Ca 0.12 0.17 0.12 0.00 -2.04 0.00 0.00 64.34 62.71 1bry n VAL 66 Cb 0.46 -0.85 0.08 0.00 -1.47 0.00 0.00 33.84 32.06 1bry n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1bry h THR 67 N 0.00 0.00 0.00 3.34 1.35 -1.85 -3.41 112.91 112.34 1bry h THR 67 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1bry h THR 67 Cb 0.30 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1bry h THR 67 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 1bry n ASN 68 N -2.72 0.00 -1.55 5.36 0.23 -1.15 -4.60 115.26 110.84 1bry n ASN 68 Ca 0.02 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.88 1bry n ASN 68 Cb 0.53 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.16 1bry n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1bry n VAL 69 N 0.00 -0.17 -2.82 3.53 0.31 0.42 -4.98 118.33 114.62 1bry n VAL 69 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1bry n VAL 69 Cb 0.25 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 1bry n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1bry s TYR 70 N -2.73 3.84 -0.07 3.52 2.02 -1.23 -4.71 117.35 117.99 1bry s TYR 70 Ca 0.00 1.73 -0.27 0.00 -0.37 0.00 0.00 57.07 58.16 1bry s TYR 70 Cb 0.00 -2.96 -0.03 0.00 -0.40 0.00 0.00 41.96 38.58 1bry s TYR 70 CO 0.00 0.30 0.86 0.42 -1.57 0.00 0.00 175.55 175.56 1bry s ILE 71 N -0.33 4.92 -0.09 2.71 1.01 -1.26 -0.97 121.20 127.19 1bry s ILE 71 Ca 0.43 1.76 -0.03 0.00 0.00 0.00 0.00 60.65 62.81 1bry s ILE 71 Cb -0.23 -4.19 -0.26 0.00 0.01 0.00 0.00 42.46 37.79 1bry s ILE 71 CO 0.28 0.14 0.50 0.24 0.00 0.00 0.00 174.94 176.10 1bry h MET 72 N 6.94 0.23 0.00 2.79 2.86 -1.10 -3.47 114.93 123.17 1bry h MET 72 Ca -0.37 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1bry h MET 72 Cb 1.18 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1bry h MET 72 CO 0.78 1.08 0.00 0.41 1.06 0.00 0.00 176.91 180.25 1bry n GLY 73 N 1.87 -1.29 3.41 8.32 0.00 -1.24 -2.06 105.19 114.20 1bry n GLY 73 Ca -0.27 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1bry n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bry s TYR 74 N -3.00 0.14 -0.07 1.61 1.13 0.14 -0.81 117.35 116.49 1bry s TYR 74 Ca 0.00 -0.50 0.05 0.00 -1.41 0.00 0.00 57.07 55.21 1bry s TYR 74 Cb 0.00 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 1bry s TYR 74 CO 0.00 -0.79 -0.23 -1.17 -2.51 0.00 0.00 175.55 170.85 1bry s LEU 75 N -2.92 2.04 -0.31 -3.49 2.96 0.10 -0.46 118.68 116.60 1bry s LEU 75 Ca 0.13 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1bry s LEU 75 Cb 0.02 -1.32 0.10 0.00 0.50 0.00 0.00 46.19 45.48 1bry s LEU 75 CO -0.02 0.20 0.07 0.00 -1.32 0.00 0.00 176.35 175.28 1bry s ALA 76 N 0.05 1.94 0.00 5.97 0.00 -0.36 -1.26 121.76 128.10 1bry s ALA 76 Ca -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1bry s ALA 76 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1bry s ALA 76 CO 0.05 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1bry n GLY 77 N 4.67 2.90 0.80 0.00 0.00 -1.26 -1.90 105.19 110.40 1bry n GLY 77 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1bry n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bry n ASP 78 N 9.69 3.22 -4.24 1.61 5.68 -1.26 -4.93 116.55 126.33 1bry n ASP 78 Ca 0.00 -3.23 -0.33 0.00 -0.50 0.00 0.00 54.79 50.73 1bry n ASP 78 Cb 0.00 -0.55 -0.16 0.00 -1.14 0.00 0.00 41.12 39.28 1bry n ASP 78 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1bry s VAL 79 N -2.95 2.41 0.15 2.12 1.01 -0.80 -0.55 120.40 121.80 1bry s VAL 79 Ca 0.41 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1bry s VAL 79 Cb 0.35 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1bry s VAL 79 CO 0.05 0.53 0.18 -0.94 0.00 0.00 0.00 175.10 174.93 1bry s SER 80 N 0.71 5.80 -0.05 3.32 1.04 -0.26 -1.23 113.70 123.02 1bry s SER 80 Ca -0.08 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 1bry s SER 80 Cb -0.16 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.38 1bry s SER 80 CO 0.01 0.07 0.02 -0.31 0.98 0.00 0.00 173.24 174.01 1bry s TYR 81 N -1.72 0.43 0.01 5.02 1.51 0.39 -0.56 117.35 122.43 1bry s TYR 81 Ca 0.32 -0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 1bry s TYR 81 Cb -0.11 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1bry s TYR 81 CO 0.25 -0.25 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.16 1bry s PHE 82 N 1.82 2.01 0.68 2.71 0.08 -0.56 -0.69 117.98 124.03 1bry s PHE 82 Ca 0.02 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 1bry s PHE 82 Cb -0.12 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1bry s PHE 82 CO -0.04 0.03 1.21 1.19 -0.10 0.00 0.00 175.22 177.51 1bry n PHE 83 N 2.21 1.58 -2.52 0.36 3.72 -0.88 -0.43 117.46 121.51 1bry n PHE 83 Ca -0.16 0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 1bry n PHE 83 Cb 0.52 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.86 1bry n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1bry n ASN 84 N -2.02 4.89 -3.47 4.37 4.05 0.06 -4.47 115.26 118.67 1bry n ASN 84 Ca 0.15 -2.96 -0.12 0.00 0.45 0.00 0.00 54.58 52.10 1bry n ASN 84 Cb 0.49 -1.63 -0.03 0.00 1.23 0.00 0.00 39.78 39.84 1bry n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1bry s GLU 85 N 2.47 1.08 0.22 1.20 -1.05 -1.26 -3.93 118.70 117.43 1bry s GLU 85 Ca 0.47 -0.24 -0.10 0.00 -0.15 0.00 0.00 54.97 54.95 1bry s GLU 85 Cb 0.04 0.50 0.32 0.00 -0.44 0.00 0.00 34.13 34.56 1bry s GLU 85 CO 0.01 -0.44 1.67 0.00 0.95 0.00 0.00 175.26 177.45 1bry h ALA 86 N 2.25 0.66 -0.73 -0.84 0.00 -1.99 -1.14 119.26 117.47 1bry h ALA 86 Ca -0.29 0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1bry h ALA 86 Cb 1.25 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1bry h ALA 86 CO 0.36 -0.38 0.47 0.66 0.00 0.00 0.00 179.25 180.35 1bry h SER 87 N 0.14 0.78 -0.29 0.00 4.64 -1.97 -1.49 113.55 115.35 1bry h SER 87 Ca 0.34 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.48 1bry h SER 87 Cb 0.55 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1bry h SER 87 CO -0.53 0.54 -0.47 0.00 -0.87 0.00 0.00 176.83 175.50 1bry h ALA 88 N 1.30 0.55 -0.58 5.18 0.00 -1.63 -1.48 119.26 122.60 1bry h ALA 88 Ca 0.29 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1bry h ALA 88 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1bry h ALA 88 CO -0.10 0.68 0.29 1.15 0.00 0.00 0.00 179.25 181.27 1bry h THR 89 N 0.68 1.19 -0.23 0.00 2.02 -0.96 -1.04 112.91 114.57 1bry h THR 89 Ca 0.04 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.60 1bry h THR 89 Cb 1.06 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1bry h THR 89 CO 0.11 0.21 -0.30 -0.08 0.37 0.00 0.00 175.52 175.83 1bry h GLU 90 N 0.81 0.61 -0.69 6.66 4.57 -1.10 -3.06 114.58 122.38 1bry h GLU 90 Ca 0.20 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1bry h GLU 90 Cb 0.06 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1bry h GLU 90 CO -0.03 0.95 0.46 0.00 -1.18 0.00 0.00 179.01 179.21 1bry h ALA 91 N 0.65 1.62 0.00 2.92 0.00 -0.70 -1.54 119.26 122.21 1bry h ALA 91 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bry h ALA 91 Cb 0.87 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bry h ALA 91 CO 0.07 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1bry h ALA 92 N 1.60 1.00 0.00 0.00 0.00 -1.10 0.74 119.26 121.50 1bry h ALA 92 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bry h ALA 92 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bry h ALA 92 CO -0.08 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.04 1bry h LYS 93 N 0.00 0.00 0.00 0.00 1.57 -1.34 -3.36 116.57 113.43 1bry h LYS 93 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1bry h LYS 93 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bry h LYS 93 CO 0.00 0.00 -1.26 1.19 -0.57 0.00 0.00 179.45 178.81 1bry n PHE 94 N -2.99 0.00 -4.77 -1.35 3.72 0.06 -4.96 117.46 107.16 1bry n PHE 94 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 1bry n PHE 94 Cb 0.42 -0.16 -0.14 0.00 -0.94 0.00 0.00 39.48 38.66 1bry n PHE 94 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bry s VAL 95 N -2.25 2.36 -1.46 -4.37 1.01 -0.08 -4.67 120.40 110.93 1bry s VAL 95 Ca -0.02 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1bry s VAL 95 Cb 0.02 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1bry s VAL 95 CO 0.20 0.33 0.66 0.49 0.00 0.00 0.00 175.10 176.78 1bry n PHE 96 N 1.61 -2.04 0.15 5.22 3.72 -1.26 -4.63 117.46 120.22 1bry n PHE 96 Ca -0.17 0.59 0.14 0.00 -0.05 0.00 0.00 57.45 57.96 1bry n PHE 96 Cb 0.52 -4.08 0.70 0.00 -0.94 0.00 0.00 39.48 35.68 1bry n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1bry h LYS 97 N -1.46 0.00 -0.69 -1.08 1.57 -1.84 -2.30 116.57 110.76 1bry h LYS 97 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1bry h LYS 97 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1bry h LYS 97 CO 0.57 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.20 1bry n ASP 98 N -4.34 3.84 -4.71 0.86 8.00 -1.26 -4.97 116.55 113.97 1bry n ASP 98 Ca 0.03 -2.06 -0.40 0.00 0.71 0.00 0.00 54.79 53.06 1bry n ASP 98 Cb 0.33 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.96 1bry n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bry n ALA 99 N 1.47 1.40 0.38 2.24 0.00 -0.87 -4.89 120.51 120.23 1bry n ALA 99 Ca 0.23 0.23 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1bry n ALA 99 Cb 0.63 -2.29 0.24 0.00 0.00 0.00 0.00 19.45 18.02 1bry n ALA 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bry h LYS 100 N 1.94 0.00 -3.40 0.00 1.57 -1.18 -3.44 116.57 112.06 1bry h LYS 100 Ca -0.49 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.04 1bry h LYS 100 Cb 1.30 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.29 1bry h LYS 100 CO 0.59 0.00 -0.65 0.21 -0.57 0.00 0.00 179.45 179.04 1bry s LYS 101 N -3.18 0.05 -0.26 3.15 2.20 -1.01 -5.04 119.74 115.66 1bry s LYS 101 Ca 0.08 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1bry s LYS 101 Cb 0.09 -0.15 0.06 0.00 -1.51 0.00 0.00 37.83 36.32 1bry s LYS 101 CO 0.66 -0.13 -0.06 0.15 -0.36 0.00 0.00 175.35 175.61 1bry s LYS 102 N 0.87 1.84 -0.17 4.03 1.02 -1.26 -1.10 119.74 124.97 1bry s LYS 102 Ca -0.07 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 54.62 1bry s LYS 102 Cb -0.09 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 1bry s LYS 102 CO -0.04 -0.62 0.14 0.08 -0.92 0.00 0.00 175.35 173.99 1bry s VAL 103 N 1.24 5.44 -0.29 3.17 1.01 0.27 -4.98 120.40 126.26 1bry s VAL 103 Ca -0.05 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1bry s VAL 103 Cb -0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1bry s VAL 103 CO -0.06 0.51 0.24 -0.89 0.00 0.00 0.00 175.10 174.89 1bry s THR 104 N -0.16 5.27 0.72 3.92 2.01 -1.26 -1.50 115.64 124.64 1bry s THR 104 Ca 0.11 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1bry s THR 104 Cb -0.11 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.82 1bry s THR 104 CO 0.01 0.17 1.22 -0.76 -0.69 0.00 0.00 174.62 174.57 1bry s LEU 105 N 1.82 3.34 -0.06 4.42 1.43 0.42 -4.89 118.68 125.17 1bry s LEU 105 Ca 0.09 2.41 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1bry s LEU 105 Cb -0.16 -4.59 0.11 0.00 0.03 0.00 0.00 46.19 41.58 1bry s LEU 105 CO 0.11 -2.27 1.03 -0.81 0.23 0.00 0.00 176.35 174.64 1bry n PRO 106 N -2.63 1.31 -3.48 1.29 -0.04 -1.26 -3.79 135.00 126.39 1bry n PRO 106 Ca 0.14 -0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 63.01 1bry n PRO 106 Cb 0.50 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1bry n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bry s TYR 107 N -0.72 -0.41 0.90 0.54 -0.85 -1.26 -5.00 117.35 110.54 1bry s TYR 107 Ca 0.09 0.24 -0.11 0.00 -0.52 0.00 0.00 57.07 56.77 1bry s TYR 107 Cb 0.07 0.55 0.20 0.00 0.38 0.00 0.00 41.96 43.16 1bry s TYR 107 CO 0.02 -0.68 1.23 -1.13 -1.52 0.00 0.00 175.55 173.47 1bry n SER 108 N -0.30 0.57 -0.47 -0.18 3.41 -1.25 -0.76 113.62 114.63 1bry n SER 108 Ca -0.12 -1.74 0.07 0.00 -0.26 0.00 0.00 58.87 56.82 1bry n SER 108 Cb 0.63 -0.90 0.25 0.00 -0.26 0.00 0.00 64.21 63.93 1bry n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bry n GLY 109 N -3.47 0.16 3.74 5.00 0.00 -1.26 -4.48 105.19 104.87 1bry n GLY 109 Ca 0.17 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1bry n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bry s ASN 110 N -1.24 6.64 0.23 1.61 3.84 -1.26 -4.86 114.94 119.90 1bry s ASN 110 Ca 0.24 2.65 -0.06 0.00 0.21 0.00 0.00 52.86 55.91 1bry s ASN 110 Cb 0.12 -2.62 0.39 0.00 -0.55 0.00 0.00 41.25 38.60 1bry s ASN 110 CO 0.18 -0.73 1.74 1.88 -2.79 0.00 0.00 177.10 177.39 1bry h TYR 111 N 5.38 0.51 -0.53 0.43 0.05 -1.99 0.10 116.97 120.92 1bry h TYR 111 Ca -0.45 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.28 1bry h TYR 111 Cb 1.22 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1bry h TYR 111 CO 0.61 0.10 0.03 0.93 -1.05 0.00 0.00 178.16 178.79 1bry h GLU 112 N 0.47 0.91 -0.51 4.88 3.07 -1.98 0.26 114.58 121.68 1bry h GLU 112 Ca 0.38 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 1bry h GLU 112 Cb 0.52 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1bry h GLU 112 CO -0.36 0.91 0.25 0.00 -1.40 0.00 0.00 179.01 178.41 1bry h ARG 113 N 0.79 0.73 -0.47 2.33 2.47 -1.72 -1.30 114.38 117.20 1bry h ARG 113 Ca 0.15 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 1bry h ARG 113 Cb 0.48 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1bry h ARG 113 CO 0.02 0.60 0.08 -0.07 0.56 0.00 0.00 179.97 181.16 1bry h LEU 114 N 0.67 0.75 -0.67 3.04 3.38 -0.79 -1.37 115.31 120.32 1bry h LEU 114 Ca 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1bry h LEU 114 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1bry h LEU 114 CO -0.02 0.82 0.33 1.56 0.09 0.00 0.00 178.44 181.21 1bry h GLN 115 N 0.66 0.97 -0.65 1.13 4.20 -0.83 0.22 115.11 120.80 1bry h GLN 115 Ca 0.14 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1bry h GLN 115 Cb 0.39 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1bry h GLN 115 CO 0.01 0.76 0.24 1.15 -0.67 0.00 0.00 178.83 180.32 1bry h THR 116 N 0.93 1.24 -0.55 -0.54 2.02 -1.07 0.80 112.91 115.74 1bry h THR 116 Ca 0.23 -0.78 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 1bry h THR 116 Cb 0.11 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1bry h THR 116 CO -0.03 0.31 -0.02 0.00 0.37 0.00 0.00 175.52 176.15 1bry h ALA 117 N 1.10 0.93 0.00 6.16 0.00 -0.72 -2.91 119.26 123.82 1bry h ALA 117 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1bry h ALA 117 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bry h ALA 117 CO -0.01 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.58 1bry h ALA 118 N 1.09 0.94 -0.09 0.00 0.00 -0.21 -3.47 119.26 117.52 1bry h ALA 118 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1bry h ALA 118 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bry h ALA 118 CO 0.03 0.37 -0.03 0.41 0.00 0.00 0.00 179.25 180.03 1bry n GLY 119 N 0.44 0.54 3.16 0.00 0.00 0.24 -4.89 105.19 104.68 1bry n GLY 119 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1bry n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bry s LYS 120 N -1.27 0.53 0.27 1.61 1.02 -1.13 -5.05 119.74 115.73 1bry s LYS 120 Ca 0.00 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1bry s LYS 120 Cb 0.00 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 1bry s LYS 120 CO 0.00 -0.13 0.44 0.96 -0.92 0.00 0.00 175.35 175.70 1bry s ILE 121 N -1.22 5.19 0.42 2.17 -4.36 -1.26 -4.50 121.20 117.64 1bry s ILE 121 Ca -0.13 -0.65 0.22 0.00 -0.26 0.00 0.00 60.65 59.84 1bry s ILE 121 Cb -0.06 -3.83 0.42 0.00 1.25 0.00 0.00 42.46 40.24 1bry s ILE 121 CO 0.02 -0.39 1.75 0.03 0.24 0.00 0.00 174.94 176.60 1bry h ARG 122 N 1.19 0.29 -0.31 0.37 3.08 -1.96 0.09 114.38 117.12 1bry h ARG 122 Ca -0.50 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.62 1bry h ARG 122 Cb 1.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1bry h ARG 122 CO 0.63 0.19 0.31 0.93 -1.07 0.00 0.00 179.97 180.95 1bry h GLU 123 N 0.30 0.00 -0.22 0.04 3.07 -1.94 -2.23 114.58 113.60 1bry h GLU 123 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1bry h GLU 123 Cb 1.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1bry h GLU 123 CO -0.29 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.41 1bry n ASN 124 N -3.91 3.12 -4.27 1.42 3.02 0.01 -4.54 115.26 110.11 1bry n ASN 124 Ca 0.05 -2.57 -0.37 0.00 -0.03 0.00 0.00 54.58 51.66 1bry n ASN 124 Cb 0.46 -0.36 -0.13 0.00 -0.61 0.00 0.00 39.78 39.15 1bry n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bry s ILE 125 N -2.02 3.59 0.48 2.41 1.01 -0.84 -4.94 121.20 120.89 1bry s ILE 125 Ca 0.29 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 1bry s ILE 125 Cb 0.22 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 1bry s ILE 125 CO 0.09 -0.01 1.38 -2.84 0.00 0.00 0.00 174.94 173.56 1bry s PRO 126 N 1.40 3.51 0.49 2.79 0.02 -1.26 -4.51 135.00 137.45 1bry s PRO 126 Ca -0.00 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.33 1bry s PRO 126 Cb -0.18 -2.51 -0.01 0.00 0.02 0.00 0.00 34.50 31.82 1bry s PRO 126 CO 0.01 -0.91 0.03 -0.51 -0.33 0.00 0.00 177.00 175.28 1bry s LEU 127 N -3.00 2.23 0.00 -5.54 1.43 0.72 -4.86 118.68 109.66 1bry s LEU 127 Ca 0.65 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1bry s LEU 127 Cb -0.41 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1bry s LEU 127 CO 0.52 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1bry n GLY 128 N -1.20 2.97 0.27 -3.19 0.00 -1.26 -1.26 105.19 101.52 1bry n GLY 128 Ca -0.17 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.79 1bry n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bry h LEU 129 N 0.00 0.60 -1.73 0.99 3.38 -1.00 -1.32 115.31 116.23 1bry h LEU 129 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1bry h LEU 129 Cb 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1bry h LEU 129 CO 0.00 0.39 -0.11 -0.65 0.09 0.00 0.00 178.44 178.16 1bry h PRO 130 N 0.73 0.03 -0.37 1.13 0.11 -1.77 -0.78 132.00 131.08 1bry h PRO 130 Ca 0.30 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1bry h PRO 130 Cb 0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1bry h PRO 130 CO -0.17 0.14 -0.16 0.00 -0.21 0.00 0.00 178.00 177.60 1bry h ALA 131 N 1.86 0.52 -0.78 -0.75 0.00 -1.54 -2.11 119.26 116.47 1bry h ALA 131 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1bry h ALA 131 Cb 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1bry h ALA 131 CO 0.02 0.45 0.36 1.25 0.00 0.00 0.00 179.25 181.32 1bry h LEU 132 N 0.57 1.03 -0.46 0.00 5.85 -0.59 -0.26 115.31 121.45 1bry h LEU 132 Ca 0.09 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1bry h LEU 132 Cb 0.71 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1bry h LEU 132 CO 0.05 0.89 0.30 -0.78 -0.34 0.00 0.00 178.44 178.56 1bry h ASP 133 N 1.11 0.52 -0.65 1.25 3.58 -1.07 -0.61 116.42 120.54 1bry h ASP 133 Ca 0.27 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1bry h ASP 133 Cb 0.14 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1bry h ASP 133 CO -0.03 0.38 0.35 0.28 -2.88 0.00 0.00 179.24 177.34 1bry h SER 134 N 0.62 0.82 -0.33 2.28 0.02 -0.98 -1.78 113.55 114.20 1bry h SER 134 Ca 0.17 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1bry h SER 134 Cb -0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1bry h SER 134 CO -0.04 0.69 0.20 0.00 -1.14 0.00 0.00 176.83 176.54 1bry h ALA 135 N 1.17 0.42 -0.66 3.77 0.00 -0.71 -1.14 119.26 122.11 1bry h ALA 135 Ca 0.23 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1bry h ALA 135 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1bry h ALA 135 CO -0.04 -0.08 0.40 0.82 0.00 0.00 0.00 179.25 180.35 1bry h ILE 136 N 0.42 1.06 -0.53 0.00 2.04 -0.73 -0.64 117.51 119.13 1bry h ILE 136 Ca 0.12 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1bry h ILE 136 Cb 0.01 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1bry h ILE 136 CO -0.02 0.14 0.22 0.74 0.00 0.00 0.00 178.15 179.23 1bry h THR 137 N 0.78 1.22 -0.68 -0.27 2.02 -1.11 0.17 112.91 115.03 1bry h THR 137 Ca 0.27 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1bry h THR 137 Cb 0.05 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1bry h THR 137 CO -0.12 0.25 0.41 0.74 0.37 0.00 0.00 175.52 177.17 1bry h THR 138 N 0.72 1.20 -0.24 3.16 2.02 -0.83 -2.04 112.91 116.90 1bry h THR 138 Ca 0.18 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.74 1bry h THR 138 Cb 0.19 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1bry h THR 138 CO -0.02 0.20 -0.57 -0.07 0.37 0.00 0.00 175.52 175.43 1bry h LEU 139 N 0.92 0.85 -0.88 2.58 3.38 -0.79 -0.23 115.31 121.14 1bry h LEU 139 Ca 0.24 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1bry h LEU 139 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1bry h LEU 139 CO -0.05 1.24 0.58 0.22 0.09 0.00 0.00 178.44 180.52 1bry h TYR 140 N 0.57 1.10 -0.10 1.13 3.20 -0.42 -1.92 116.97 120.54 1bry h TYR 140 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1bry h TYR 140 Cb 1.16 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1bry h TYR 140 CO 0.06 0.68 0.00 0.66 -1.64 0.00 0.00 178.16 177.93 1bry n TYR 141 N -4.48 0.11 -3.89 -3.82 4.01 -0.79 -4.90 117.16 103.39 1bry n TYR 141 Ca 0.10 -0.05 -0.33 0.00 -0.16 0.00 0.00 57.90 57.45 1bry n TYR 141 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1bry n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1bry n TYR 142 N 0.87 -1.68 -2.70 -0.72 9.36 -0.16 -4.86 117.16 117.26 1bry n TYR 142 Ca 0.17 0.48 -0.42 0.00 3.32 0.00 0.00 57.90 61.45 1bry n TYR 142 Cb 0.49 -2.64 -0.03 0.00 -0.63 0.00 0.00 39.34 36.53 1bry n TYR 142 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1bry s THR 143 N -3.21 4.09 0.27 2.97 2.01 -0.79 -4.90 115.64 116.08 1bry s THR 143 Ca 0.20 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1bry s THR 143 Cb -0.11 -4.86 0.30 0.00 0.01 0.00 0.00 72.50 67.84 1bry s THR 143 CO 0.90 -1.70 1.63 0.00 -0.69 0.00 0.00 174.62 174.76 1bry h ALA 144 N 9.66 1.00 0.00 7.40 0.00 -1.89 -0.63 119.26 134.80 1bry h ALA 144 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bry h ALA 144 Cb 1.04 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1bry h ALA 144 CO 1.26 -0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.93 1bry n SER 145 N -5.31 0.00 -0.06 0.00 3.41 -1.26 -2.52 113.62 107.88 1bry n SER 145 Ca 0.17 0.37 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 1bry n SER 145 Cb 0.57 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1bry n SER 145 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bry n SER 146 N -1.43 0.70 -0.31 4.04 7.64 -0.32 -4.79 113.62 119.15 1bry n SER 146 Ca 0.04 -0.85 -0.04 0.00 1.01 0.00 0.00 58.87 59.04 1bry n SER 146 Cb 0.15 0.49 0.08 0.00 -1.01 0.00 0.00 64.21 63.92 1bry n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bry h ALA 147 N 0.49 1.06 -0.63 -0.43 0.00 -1.05 -1.31 119.26 117.40 1bry h ALA 147 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1bry h ALA 147 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1bry h ALA 147 CO 0.00 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.13 1bry h ALA 148 N 1.28 0.80 -0.37 0.00 0.00 -1.87 0.78 119.26 119.88 1bry h ALA 148 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1bry h ALA 148 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1bry h ALA 148 CO -0.06 0.30 0.10 0.77 0.00 0.00 0.00 179.25 180.36 1bry h SER 149 N 0.85 0.55 -0.89 0.00 0.02 -1.79 -1.49 113.55 110.80 1bry h SER 149 Ca 0.22 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1bry h SER 149 Cb 0.01 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1bry h SER 149 CO -0.04 0.62 0.57 0.00 -1.14 0.00 0.00 176.83 176.84 1bry h ALA 150 N 0.94 1.19 -0.43 3.77 0.00 -0.84 -1.57 119.26 122.32 1bry h ALA 150 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1bry h ALA 150 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bry h ALA 150 CO -0.00 0.38 -0.13 -0.07 0.00 0.00 0.00 179.25 179.43 1bry h LEU 151 N 1.07 0.78 -0.95 0.00 3.38 -0.54 0.63 115.31 119.68 1bry h LEU 151 Ca 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1bry h LEU 151 Cb 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1bry h LEU 151 CO -0.14 0.93 0.38 -0.07 0.09 0.00 0.00 178.44 179.63 1bry h LEU 152 N 0.71 1.03 -0.24 1.67 3.38 -0.55 0.12 115.31 121.43 1bry h LEU 152 Ca 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1bry h LEU 152 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1bry h LEU 152 CO 0.04 0.86 -0.00 0.58 0.09 0.00 0.00 178.44 180.01 1bry h VAL 153 N 1.13 1.26 -0.23 1.22 2.07 -0.87 -2.59 116.25 118.23 1bry h VAL 153 Ca 0.27 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1bry h VAL 153 Cb 0.11 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1bry h VAL 153 CO -0.04 0.28 0.15 0.25 0.02 0.00 0.00 177.57 178.24 1bry h LEU 154 N 0.19 0.27 -0.19 2.57 5.85 -0.45 -1.13 115.31 122.42 1bry h LEU 154 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1bry h LEU 154 Cb 0.42 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1bry h LEU 154 CO 0.01 0.21 0.12 0.40 -0.34 0.00 0.00 178.44 178.85 1bry h ILE 155 N 0.30 1.07 -0.34 4.05 2.04 -0.77 -2.19 117.51 121.66 1bry h ILE 155 Ca 0.08 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1bry h ILE 155 Cb -0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1bry h ILE 155 CO -0.02 0.06 -0.03 1.56 0.00 0.00 0.00 178.15 179.73 1bry h GLN 156 N 0.25 0.54 0.00 2.37 4.20 -1.31 -0.97 115.11 120.19 1bry h GLN 156 Ca 0.07 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1bry h GLN 156 Cb -0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1bry h GLN 156 CO -0.01 0.58 0.00 0.43 -0.67 0.00 0.00 178.83 179.16 1bry n SER 157 N -4.26 0.00 0.00 1.46 7.64 -0.44 -2.38 113.62 115.64 1bry n SER 157 Ca 0.01 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1bry n SER 157 Cb 0.27 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1bry n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1bry n THR 158 N -1.50 0.00 0.03 0.44 -2.24 -0.86 -4.69 114.28 105.47 1bry n THR 158 Ca 0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1bry n THR 158 Cb 0.32 -0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 1bry n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bry h ALA 159 N 0.00 0.01 -0.55 6.98 0.00 -1.40 -1.41 119.26 122.89 1bry h ALA 159 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1bry h ALA 159 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bry h ALA 159 CO 0.00 -0.47 -0.03 0.93 0.00 0.00 0.00 179.25 179.68 1bry h GLU 160 N -0.02 0.96 -0.53 0.00 4.39 -1.48 -1.23 114.58 116.67 1bry h GLU 160 Ca 0.00 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.33 1bry h GLU 160 Cb 0.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1bry h GLU 160 CO -0.00 0.96 0.03 0.77 -1.16 0.00 0.00 179.01 179.61 1bry h SER 161 N 0.87 0.85 -0.65 1.42 0.02 -1.41 -1.35 113.55 113.30 1bry h SER 161 Ca 0.16 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1bry h SER 161 Cb 0.55 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1bry h SER 161 CO 0.03 0.89 0.26 0.00 -1.14 0.00 0.00 176.83 176.87 1bry h ALA 162 N 1.20 1.19 0.00 3.77 0.00 -0.85 -2.94 119.26 121.64 1bry h ALA 162 Ca 0.16 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1bry h ALA 162 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1bry h ALA 162 CO 0.02 0.58 -0.57 0.00 0.00 0.00 0.00 179.25 179.29 1bry h ARG 163 N 0.97 0.00 -3.62 0.00 3.08 -0.78 -3.39 114.38 110.64 1bry h ARG 163 Ca 0.23 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.90 1bry h ARG 163 Cb 0.20 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.88 1bry h ARG 163 CO -0.02 0.57 -0.75 0.71 -1.07 0.00 0.00 179.97 179.40 1bry s TYR 164 N -3.13 0.37 0.30 3.04 2.02 -0.55 0.04 117.35 119.45 1bry s TYR 164 Ca 0.02 0.01 -0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1bry s TYR 164 Cb 0.09 -0.56 0.45 0.00 -0.40 0.00 0.00 41.96 41.55 1bry s TYR 164 CO 0.74 -0.21 1.96 -0.22 -1.57 0.00 0.00 175.55 176.26 1bry h LYS 165 N 7.89 1.05 -0.50 -0.62 3.64 -1.33 -1.59 116.57 125.11 1bry h LYS 165 Ca -0.28 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1bry h LYS 165 Cb 1.13 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 1bry h LYS 165 CO 0.33 0.71 0.29 0.35 -2.27 0.00 0.00 179.45 178.86 1bry h PHE 166 N 1.08 0.54 -0.42 1.91 3.57 -1.88 -0.25 116.94 121.50 1bry h PHE 166 Ca 0.29 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1bry h PHE 166 Cb -0.10 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1bry h PHE 166 CO 0.00 0.30 -0.08 0.82 -2.23 0.00 0.00 178.31 177.13 1bry h ILE 167 N 0.58 1.27 -0.51 1.41 2.04 -1.70 -1.41 117.51 119.19 1bry h ILE 167 Ca 0.20 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1bry h ILE 167 Cb 0.04 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1bry h ILE 167 CO -0.10 0.39 0.21 -0.08 0.00 0.00 0.00 178.15 178.57 1bry h GLU 168 N 0.62 0.40 -0.31 2.37 4.81 -0.99 -1.55 114.58 119.94 1bry h GLU 168 Ca 0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1bry h GLU 168 Cb 0.60 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1bry h GLU 168 CO 0.04 0.26 0.11 1.96 -0.73 0.00 0.00 179.01 180.65 1bry h GLN 169 N 0.41 0.47 -0.05 1.92 4.20 -0.83 -1.18 115.11 120.05 1bry h GLN 169 Ca 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1bry h GLN 169 Cb 0.22 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1bry h GLN 169 CO -0.22 0.50 0.03 1.96 -0.67 0.00 0.00 178.83 180.44 1bry h GLN 170 N 0.34 0.06 -0.40 1.46 1.08 -0.87 -2.41 115.11 114.38 1bry h GLN 170 Ca 0.10 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1bry h GLN 170 Cb 0.22 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1bry h GLN 170 CO -0.01 0.05 -0.04 0.82 -0.95 0.00 0.00 178.83 178.71 1bry h ILE 171 N 0.05 1.27 0.00 2.54 2.04 -1.26 -3.10 117.51 119.05 1bry h ILE 171 Ca 0.02 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1bry h ILE 171 Cb 0.00 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1bry h ILE 171 CO -0.00 0.36 -0.10 1.23 0.00 0.00 0.00 178.15 179.64 1bry h GLY 172 N 0.55 0.00 1.91 5.37 0.00 -1.16 -2.59 103.07 107.15 1bry h GLY 172 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 1bry h GLY 172 CO 0.03 0.00 -0.45 0.50 0.00 0.00 0.00 176.54 176.62 1bry h LYS 173 N 0.00 0.10 -4.92 4.80 1.57 -1.35 -3.36 116.57 113.40 1bry h LYS 173 Ca -0.00 -0.05 -0.69 0.00 -1.87 0.00 0.00 60.65 58.04 1bry h LYS 173 Cb 0.35 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 1bry h LYS 173 CO 0.01 0.53 0.66 1.03 -0.57 0.00 0.00 179.45 181.11 1bry s ARG 174 N -4.03 3.49 -0.18 3.15 3.00 -0.98 -4.82 118.95 118.59 1bry s ARG 174 Ca -0.03 -1.68 -0.10 0.00 0.00 0.00 0.00 55.73 53.92 1bry s ARG 174 Cb 0.14 -4.72 -0.22 0.00 0.00 0.00 0.00 34.95 30.15 1bry s ARG 174 CO 0.75 -1.71 0.18 0.28 0.00 0.00 0.00 175.30 174.80 1bry n VAL 175 N 5.40 1.66 -0.04 3.52 0.31 -1.26 -0.61 118.33 127.30 1bry n VAL 175 Ca 0.16 -0.46 0.05 0.00 -0.01 0.00 0.00 64.34 64.09 1bry n VAL 175 Cb 0.48 -1.78 0.12 0.00 -0.91 0.00 0.00 33.84 31.75 1bry n VAL 175 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1bry n ASP 176 N -3.76 2.64 -3.70 4.52 8.00 -1.26 -4.22 116.55 118.76 1bry n ASP 176 Ca -0.36 -1.88 -0.12 0.00 0.71 0.00 0.00 54.79 53.13 1bry n ASP 176 Cb 0.93 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 1bry n ASP 176 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1bry s LYS 177 N -0.97 1.64 0.44 -1.24 -2.85 -1.26 -4.98 119.74 110.52 1bry s LYS 177 Ca 0.19 -1.56 0.06 0.00 -1.00 0.00 0.00 55.97 53.66 1bry s LYS 177 Cb 0.10 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 1bry s LYS 177 CO 0.14 -0.66 0.10 0.95 0.10 0.00 0.00 175.35 175.98 1bry s THR 178 N -3.62 1.95 0.11 3.79 -4.23 -1.26 -4.41 115.64 107.97 1bry s THR 178 Ca 0.29 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 1bry s THR 178 Cb 0.01 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.09 1bry s THR 178 CO 0.15 0.00 0.42 0.72 -0.54 0.00 0.00 174.62 175.37 1bry s PHE 179 N -2.70 -0.25 -0.12 3.99 -0.71 -0.39 -4.95 117.98 112.86 1bry s PHE 179 Ca 0.32 0.00 -0.14 0.00 -1.04 0.00 0.00 56.93 56.08 1bry s PHE 179 Cb 0.05 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1bry s PHE 179 CO 0.17 -0.69 0.31 -0.51 -1.34 0.00 0.00 175.22 173.17 1bry s LEU 180 N -2.62 4.31 0.34 -1.99 1.43 -1.26 -0.20 118.68 118.69 1bry s LEU 180 Ca 0.01 0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 1bry s LEU 180 Cb 0.01 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 1bry s LEU 180 CO -0.10 0.18 1.31 -2.16 0.23 0.00 0.00 176.35 175.81 1bry s PRO 181 N -0.02 4.30 0.88 1.29 0.04 -1.26 -4.99 135.00 135.24 1bry s PRO 181 Ca 0.18 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 1bry s PRO 181 Cb -0.14 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.49 1bry s PRO 181 CO 0.06 -0.24 1.10 -1.54 0.04 0.00 0.00 177.00 176.43 1bry s SER 182 N -0.50 3.72 0.48 6.66 1.04 -1.26 -4.74 113.70 119.10 1bry s SER 182 Ca 0.50 1.28 0.18 0.00 0.48 0.00 0.00 55.95 58.39 1bry s SER 182 Cb -0.40 -1.96 1.18 0.00 0.10 0.00 0.00 66.02 64.94 1bry s SER 182 CO 0.53 -2.45 2.05 -0.07 0.98 0.00 0.00 173.24 174.28 1bry h LEU 183 N -1.42 0.00 -0.30 2.42 3.38 -1.94 -1.83 115.31 115.61 1bry h LEU 183 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1bry h LEU 183 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1bry h LEU 183 CO 0.58 0.13 0.02 0.00 0.09 0.00 0.00 178.44 179.26 1bry h ALA 184 N 1.87 0.40 -0.01 1.53 0.00 -1.76 0.16 119.26 121.45 1bry h ALA 184 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bry h ALA 184 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bry h ALA 184 CO 0.02 0.12 -0.01 1.15 0.00 0.00 0.00 179.25 180.53 1bry h THR 185 N 0.32 0.96 -0.53 0.00 2.02 -1.69 -1.72 112.91 112.27 1bry h THR 185 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1bry h THR 185 Cb 0.39 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1bry h THR 185 CO 0.01 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.44 1bry h ILE 186 N -0.02 1.22 -0.96 3.11 2.04 -1.27 -2.20 117.51 119.42 1bry h ILE 186 Ca 0.01 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1bry h ILE 186 Cb 0.03 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1bry h ILE 186 CO -0.02 0.29 0.63 -1.28 0.00 0.00 0.00 178.15 177.77 1bry h SER 187 N 0.78 1.08 -0.32 1.72 0.87 -0.31 -0.79 113.55 116.58 1bry h SER 187 Ca 0.18 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1bry h SER 187 Cb 0.27 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1bry h SER 187 CO -0.00 0.77 0.17 -0.07 -0.53 0.00 0.00 176.83 177.16 1bry h LEU 188 N 1.27 0.41 -0.06 2.23 3.38 -0.71 -1.95 115.31 119.88 1bry h LEU 188 Ca 0.37 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1bry h LEU 188 Cb -0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1bry h LEU 188 CO -0.10 0.40 -0.06 -0.33 0.09 0.00 0.00 178.44 178.45 1bry h GLU 189 N 0.39 -0.07 0.00 1.13 5.08 -1.05 -2.53 114.58 117.53 1bry h GLU 189 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1bry h GLU 189 Cb 0.09 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1bry h GLU 189 CO -0.02 -0.05 -0.09 -0.91 -1.00 0.00 0.00 179.01 176.94 1bry h ASN 190 N -0.08 0.00 -0.37 1.42 2.35 -1.00 -3.14 115.58 114.76 1bry h ASN 190 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1bry h ASN 190 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1bry h ASN 190 CO -0.11 0.09 0.00 0.59 -1.65 0.00 0.00 177.43 176.36 1bry n ASN 191 N -3.58 3.69 -0.17 5.81 3.02 -0.75 -4.67 115.26 118.62 1bry n ASN 191 Ca -0.02 -2.49 -0.05 0.00 -0.03 0.00 0.00 54.58 51.98 1bry n ASN 191 Cb 0.22 -0.43 0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1bry n ASN 191 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1bry h TRP 192 N 2.36 0.54 0.02 3.10 7.01 -1.41 0.19 115.95 127.75 1bry h TRP 192 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1bry h TRP 192 Cb 1.16 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1bry h TRP 192 CO 0.45 0.30 -0.01 0.77 -2.79 0.00 0.00 178.44 177.16 1bry h SER 193 N 0.57 -0.03 -0.09 2.65 0.02 -1.86 -0.34 113.55 114.48 1bry h SER 193 Ca 0.21 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1bry h SER 193 Cb 0.05 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1bry h SER 193 CO -0.11 0.14 -0.05 0.00 -1.14 0.00 0.00 176.83 175.67 1bry h ALA 194 N 0.79 0.03 -0.56 3.77 0.00 -1.84 -0.47 119.26 120.97 1bry h ALA 194 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bry h ALA 194 Cb 0.18 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1bry h ALA 194 CO 0.01 -0.52 0.36 -0.07 0.00 0.00 0.00 179.25 179.03 1bry h LEU 195 N -0.05 0.60 -0.55 0.00 3.38 -0.95 -1.28 115.31 116.46 1bry h LEU 195 Ca 0.05 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1bry h LEU 195 Cb 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1bry h LEU 195 CO -0.12 0.43 0.30 0.28 0.09 0.00 0.00 178.44 179.42 1bry h SER 196 N 0.72 0.44 -0.01 -0.43 0.02 -0.60 -1.27 113.55 112.43 1bry h SER 196 Ca 0.21 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1bry h SER 196 Cb -0.04 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1bry h SER 196 CO -0.07 0.30 0.00 0.50 -1.14 0.00 0.00 176.83 176.43 1bry h LYS 197 N 0.57 0.01 -0.64 3.45 3.64 -0.70 -2.76 116.57 120.15 1bry h LYS 197 Ca 0.24 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1bry h LYS 197 Cb 0.12 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1bry h LYS 197 CO -0.15 0.17 0.24 1.96 -2.27 0.00 0.00 179.45 179.40 1bry h GLN 198 N -0.15 0.94 -0.51 1.90 1.08 -1.04 -1.39 115.11 115.94 1bry h GLN 198 Ca 0.00 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1bry h GLN 198 Cb 0.16 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1bry h GLN 198 CO -0.00 0.78 0.22 0.82 -0.95 0.00 0.00 178.83 179.69 1bry h ILE 199 N 0.92 1.21 -0.38 2.54 2.04 -1.24 0.27 117.51 122.86 1bry h ILE 199 Ca 0.21 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1bry h ILE 199 Cb 0.20 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1bry h ILE 199 CO -0.02 0.24 -0.13 1.56 0.00 0.00 0.00 178.15 179.81 1bry h GLN 200 N 0.68 0.68 -0.26 2.37 4.20 -1.21 -1.76 115.11 119.80 1bry h GLN 200 Ca 0.17 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1bry h GLN 200 Cb 0.17 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1bry h GLN 200 CO -0.02 0.79 -0.06 0.82 -0.67 0.00 0.00 178.83 179.69 1bry h ILE 201 N 0.62 1.28 -0.69 2.54 2.04 -0.77 -3.05 117.51 119.48 1bry h ILE 201 Ca 0.11 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.97 1bry h ILE 201 Cb 0.57 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1bry h ILE 201 CO 0.04 0.34 0.46 0.00 0.00 0.00 0.00 178.15 178.98 1bry h ALA 202 N 0.77 1.82 -0.04 1.87 0.00 -0.18 -2.07 119.26 121.43 1bry h ALA 202 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1bry h ALA 202 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bry h ALA 202 CO 0.03 0.04 0.12 0.66 0.00 0.00 0.00 179.25 180.10 1bry h SER 203 N 0.63 0.00 0.00 0.00 4.64 -1.21 0.19 113.55 117.80 1bry h SER 203 Ca 0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1bry h SER 203 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1bry h SER 203 CO -0.10 0.00 -0.34 0.35 -0.87 0.00 0.00 176.83 175.86 1bry n THR 204 N -3.31 1.57 -2.61 2.95 -2.24 -0.80 -4.67 114.28 105.17 1bry n THR 204 Ca -0.02 -2.20 0.01 0.00 -2.27 0.00 0.00 64.05 59.58 1bry n THR 204 Cb 0.19 -0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1bry n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bry n ASN 205 N -0.95 0.98 -3.78 3.42 5.15 -0.39 -5.00 115.26 114.69 1bry n ASN 205 Ca 0.14 -2.02 -0.26 0.00 -0.60 0.00 0.00 54.58 51.84 1bry n ASN 205 Cb 0.72 -0.29 0.04 0.00 -0.53 0.00 0.00 39.78 39.72 1bry n ASN 205 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bry n ASN 206 N -0.08 -3.57 0.00 1.20 4.05 -1.13 -1.83 115.26 113.90 1bry n ASN 206 Ca 0.03 -0.76 0.00 0.00 0.45 0.00 0.00 54.58 54.30 1bry n ASN 206 Cb 0.97 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.84 1bry n ASN 206 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bry n GLY 207 N -1.66 0.57 3.75 8.20 0.00 0.54 -4.97 105.19 111.63 1bry n GLY 207 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1bry n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bry s GLN 208 N -0.41 4.18 0.43 1.61 -1.52 -0.76 -0.17 119.66 123.03 1bry s GLN 208 Ca 0.00 0.21 -0.23 0.00 -1.95 0.00 0.00 55.36 53.40 1bry s GLN 208 Cb 0.00 -3.38 -0.09 0.00 -0.22 0.00 0.00 33.01 29.32 1bry s GLN 208 CO 0.00 0.32 1.04 -0.06 -0.25 0.00 0.00 175.29 176.34 1bry s PHE 209 N 0.19 3.17 0.03 0.91 0.40 -0.05 -3.73 117.98 118.90 1bry s PHE 209 Ca 0.20 1.62 -0.16 0.00 -0.60 0.00 0.00 56.93 57.99 1bry s PHE 209 Cb -0.14 -3.10 -0.36 0.00 0.51 0.00 0.00 43.02 39.94 1bry s PHE 209 CO 0.07 -0.68 1.01 1.49 0.70 0.00 0.00 175.22 177.80 1bry h GLU 210 N 2.15 0.55 -5.12 0.44 4.81 -1.88 -3.45 114.58 112.09 1bry h GLU 210 Ca -0.49 -0.93 -0.47 0.00 -0.13 0.00 0.00 59.36 57.33 1bry h GLU 210 Cb 1.22 0.35 -0.30 0.00 0.63 0.00 0.00 28.75 30.65 1bry h GLU 210 CO 0.61 1.45 -0.81 -1.12 -0.73 0.00 0.00 179.01 178.41 1bry s SER 211 N -7.59 1.57 0.61 1.04 0.01 -1.26 -5.14 113.70 102.94 1bry s SER 211 Ca -0.09 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1bry s SER 211 Cb 0.04 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1bry s SER 211 CO 0.95 0.15 1.12 -2.84 0.41 0.00 0.00 173.24 173.02 1bry s PRO 212 N -0.19 3.02 -0.20 12.44 0.02 -1.26 -4.90 135.00 143.92 1bry s PRO 212 Ca 0.03 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 62.51 1bry s PRO 212 Cb -0.06 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1bry s PRO 212 CO -0.00 -1.09 -0.11 0.08 -0.33 0.00 0.00 177.00 175.55 1bry s VAL 213 N -2.11 2.79 -0.16 3.83 1.01 0.40 -4.92 120.40 121.24 1bry s VAL 213 Ca 0.69 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1bry s VAL 213 Cb -0.22 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1bry s VAL 213 CO 0.36 0.47 0.53 -0.69 0.00 0.00 0.00 175.10 175.76 1bry s VAL 214 N 1.39 5.12 0.32 2.92 1.01 -1.26 0.19 120.40 130.10 1bry s VAL 214 Ca 0.05 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1bry s VAL 214 Cb -0.14 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1bry s VAL 214 CO -0.08 0.23 0.03 -0.76 0.00 0.00 0.00 175.10 174.52 1bry s LEU 215 N 1.24 2.32 -0.18 3.92 1.43 0.30 -4.97 118.68 122.75 1bry s LEU 215 Ca 0.26 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 51.99 1bry s LEU 215 Cb -0.15 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1bry s LEU 215 CO 0.10 -0.53 -0.04 -0.63 0.23 0.00 0.00 176.35 175.48 1bry s ILE 216 N -3.18 3.72 0.61 -0.59 -1.09 -1.26 -0.34 121.20 119.07 1bry s ILE 216 Ca 0.35 -0.40 -0.07 0.00 -2.23 0.00 0.00 60.65 58.30 1bry s ILE 216 Cb 0.08 -2.65 0.13 0.00 -1.58 0.00 0.00 42.46 38.44 1bry s ILE 216 CO 0.15 0.46 0.83 -0.90 -1.23 0.00 0.00 174.94 174.25 1bry n ASP 217 N 3.97 0.44 0.23 3.58 5.68 0.10 -4.02 116.55 126.53 1bry n ASP 217 Ca -0.17 -1.53 0.17 0.00 -0.50 0.00 0.00 54.79 52.76 1bry n ASP 217 Cb 0.52 -0.60 0.87 0.00 -1.14 0.00 0.00 41.12 40.77 1bry n ASP 217 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1bry h GLY 218 N -0.88 0.00 -3.14 6.12 0.00 -1.97 -0.15 103.07 103.05 1bry h GLY 218 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1bry h GLY 218 CO 0.23 0.00 0.03 0.70 0.00 0.00 0.00 176.54 177.50 1bry n ASN 219 N -3.67 4.83 -0.08 0.19 3.02 -1.26 -4.87 115.26 113.42 1bry n ASN 219 Ca 0.01 -2.80 -0.01 0.00 -0.03 0.00 0.00 54.58 51.74 1bry n ASN 219 Cb 0.29 -0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1bry n ASN 219 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bry n ASN 220 N 0.43 -5.30 -4.75 6.41 3.02 -0.07 -4.96 115.26 110.04 1bry n ASN 220 Ca 0.25 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 1bry n ASN 220 Cb 1.06 -2.89 -0.05 0.00 -0.61 0.00 0.00 39.78 37.29 1bry n ASN 220 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1bry s GLN 221 N -1.67 4.49 0.09 3.52 0.74 -1.25 -4.73 119.66 120.86 1bry s GLN 221 Ca 0.00 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.17 1bry s GLN 221 Cb 0.00 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.70 1bry s GLN 221 CO 0.00 0.32 1.18 0.50 -0.55 0.00 0.00 175.29 176.74 1bry s ARG 222 N -0.19 4.46 0.11 1.67 3.52 -1.26 0.01 118.95 127.26 1bry s ARG 222 Ca 0.38 1.77 0.04 0.00 -0.13 0.00 0.00 55.73 57.79 1bry s ARG 222 Cb -0.21 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1bry s ARG 222 CO 0.23 -0.19 -0.10 0.14 -0.81 0.00 0.00 175.30 174.57 1bry s VAL 223 N 0.74 0.99 -0.20 7.11 -7.23 0.54 -4.93 120.40 117.42 1bry s VAL 223 Ca 0.57 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1bry s VAL 223 Cb -0.30 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.20 1bry s VAL 223 CO 0.31 -0.59 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.82 1bry s SER 224 N -2.58 3.63 -0.15 4.85 0.15 -1.26 -0.54 113.70 117.81 1bry s SER 224 Ca 0.08 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 1bry s SER 224 Cb -0.02 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1bry s SER 224 CO 0.00 -0.04 0.45 -0.63 1.20 0.00 0.00 173.24 174.23 1bry s ILE 225 N 1.32 5.19 0.00 6.45 -1.09 0.13 -4.90 121.20 128.29 1bry s ILE 225 Ca 0.03 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1bry s ILE 225 Cb -0.14 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1bry s ILE 225 CO -0.09 0.29 0.34 0.35 -1.23 0.00 0.00 174.94 174.60 1bry n THR 226 N 3.94 0.11 -3.64 2.92 -2.24 -1.26 -0.46 114.28 113.66 1bry n THR 226 Ca -0.07 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1bry n THR 226 Cb 0.51 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 70.10 1bry n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bry s ASN 227 N -0.11 -0.40 0.00 3.42 2.20 -1.26 -0.87 114.94 117.91 1bry s ASN 227 Ca 0.00 -0.31 0.10 0.00 -0.94 0.00 0.00 52.86 51.71 1bry s ASN 227 Cb 0.00 0.64 0.44 0.00 -2.00 0.00 0.00 41.25 40.34 1bry s ASN 227 CO 0.00 -1.13 1.25 0.00 -2.94 0.00 0.00 177.10 174.28 1bry n ALA 228 N -0.40 1.52 1.29 3.54 0.00 0.76 -2.61 120.51 124.61 1bry n ALA 228 Ca -0.11 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1bry n ALA 228 Cb 0.62 -1.15 0.44 0.00 0.00 0.00 0.00 19.45 19.36 1bry n ALA 228 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bry n SER 229 N -1.39 0.88 -4.76 0.00 7.64 -1.26 -4.33 113.62 110.40 1bry n SER 229 Ca 0.03 -0.81 -0.37 0.00 1.01 0.00 0.00 58.87 58.74 1bry n SER 229 Cb 0.09 0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1bry n SER 229 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bry s ALA 230 N -2.49 2.72 0.45 -0.43 0.00 -1.07 -4.79 121.76 116.14 1bry s ALA 230 Ca 0.26 1.08 0.12 0.00 0.00 0.00 0.00 51.96 53.41 1bry s ALA 230 Cb 0.19 -3.47 1.04 0.00 0.00 0.00 0.00 23.12 20.89 1bry s ALA 230 CO 0.51 -1.10 2.08 0.00 0.00 0.00 0.00 175.76 177.25 1bry h ARG 231 N 1.31 0.32 0.00 0.00 2.47 -1.92 -0.33 114.38 116.24 1bry h ARG 231 Ca -0.50 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.17 1bry h ARG 231 Cb 1.29 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1bry h ARG 231 CO 0.57 0.21 -0.14 -0.24 0.56 0.00 0.00 179.97 180.94 1bry h VAL 232 N 0.33 1.00 0.15 2.04 3.04 -1.91 0.34 116.25 121.24 1bry h VAL 232 Ca 0.12 -0.48 -0.33 0.00 -1.01 0.00 0.00 66.70 65.00 1bry h VAL 232 Cb 0.08 1.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1bry h VAL 232 CO -0.03 0.13 -1.69 0.58 -1.01 0.00 0.00 177.57 175.55 1bry h VAL 233 N 0.00 0.90 0.00 1.51 2.07 -1.41 -1.67 116.25 117.64 1bry h VAL 233 Ca -0.00 -2.43 -0.11 0.00 0.82 0.00 0.00 66.70 64.98 1bry h VAL 233 Cb 0.25 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1bry h VAL 233 CO 0.02 0.81 -0.91 0.71 0.02 0.00 0.00 177.57 178.22 1bry h THR 234 N -0.05 0.52 -0.20 2.57 1.35 -1.07 -3.41 112.91 112.60 1bry h THR 234 Ca -0.35 -1.84 -0.21 0.00 -0.55 0.00 0.00 66.41 63.46 1bry h THR 234 Cb 1.96 2.09 -0.39 0.00 -1.73 0.00 0.00 68.15 70.08 1bry h THR 234 CO 0.11 0.29 -1.07 -1.20 -0.25 0.00 0.00 175.52 173.40 1bry n SER 235 N -3.00 1.29 0.00 5.36 7.64 0.12 -4.99 113.62 120.04 1bry n SER 235 Ca -0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1bry n SER 235 Cb 0.73 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1bry n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bry n ASN 236 N -0.03 0.00 -4.63 6.43 2.85 -1.21 -4.82 115.26 113.85 1bry n ASN 236 Ca 0.07 0.00 -0.49 0.00 -0.11 0.00 0.00 54.58 54.05 1bry n ASN 236 Cb 0.98 0.17 -0.05 0.00 1.24 0.00 0.00 39.78 42.13 1bry n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bry n ILE 237 N -1.89 0.15 0.23 -1.44 3.06 -0.63 -1.18 119.36 117.66 1bry n ILE 237 Ca 0.00 -0.04 0.03 0.00 -2.50 0.00 0.00 62.75 60.24 1bry n ILE 237 Cb 0.00 -1.18 -0.04 0.00 0.54 0.00 0.00 39.64 38.96 1bry n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bry n ALA 238 N 2.76 2.67 -3.17 1.51 0.00 0.11 -4.87 120.51 119.52 1bry n ALA 238 Ca 0.17 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1bry n ALA 238 Cb 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 1bry n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bry s LEU 239 N -2.47 1.07 -0.11 0.00 1.43 -1.24 -4.10 118.68 113.25 1bry s LEU 239 Ca 0.01 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1bry s LEU 239 Cb 0.04 0.96 -0.00 0.00 0.03 0.00 0.00 46.19 47.22 1bry s LEU 239 CO 0.24 -0.25 -0.20 -0.76 0.23 0.00 0.00 176.35 175.61 1bry s LEU 240 N -0.59 2.31 0.08 1.79 1.43 -0.45 -4.94 118.68 118.31 1bry s LEU 240 Ca -0.07 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 1bry s LEU 240 Cb -0.04 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 1bry s LEU 240 CO 0.02 0.16 1.28 -0.22 0.23 0.00 0.00 176.35 177.81 1bry s LEU 241 N 0.38 4.37 0.29 1.79 2.96 -1.26 -1.29 118.68 125.91 1bry s LEU 241 Ca -0.15 2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 55.58 1bry s LEU 241 Cb -0.17 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 1bry s LEU 241 CO 0.07 -0.55 1.57 0.21 -1.32 0.00 0.00 176.35 176.34 1bry s ASN 242 N 1.12 6.40 0.54 3.68 3.84 -1.26 -4.63 114.94 124.63 1bry s ASN 242 Ca 0.61 2.92 0.26 0.00 0.21 0.00 0.00 52.86 56.86 1bry s ASN 242 Cb -0.32 -2.63 1.43 0.00 -0.55 0.00 0.00 41.25 39.17 1bry s ASN 242 CO 0.29 -0.89 2.00 0.08 -2.79 0.00 0.00 177.10 175.80 1bry h ARG 243 N 4.80 0.00 0.00 0.43 0.11 -1.92 0.13 114.38 117.93 1bry h ARG 243 Ca -0.47 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 1bry h ARG 243 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 1bry h ARG 243 CO 0.79 0.00 -0.02 -0.91 0.10 0.00 0.00 179.97 179.93 1bry h ASN 244 N 0.00 0.00 -0.59 0.08 2.35 -1.95 -0.29 115.58 115.19 1bry h ASN 244 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1bry h ASN 244 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1bry h ASN 244 CO -0.00 0.02 0.00 0.59 -1.65 0.00 0.00 177.43 176.39 1bry n ASN 245 N -3.23 4.05 -4.21 5.81 3.02 0.45 -4.89 115.26 116.26 1bry n ASN 245 Ca -0.02 -2.24 -0.33 0.00 -0.03 0.00 0.00 54.58 51.95 1bry n ASN 245 Cb 0.15 -0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 38.70 1bry n ASN 245 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bry s ILE 246 N -1.45 2.53 -2.36 2.41 1.01 -0.12 -4.99 121.20 118.24 1bry s ILE 246 Ca 0.44 -0.79 0.29 0.00 0.00 0.00 0.00 60.65 60.59 1bry s ILE 246 Cb 0.26 -2.08 0.65 0.00 0.01 0.00 0.00 42.46 41.30 1bry s ILE 246 CO 0.25 0.51 1.88 0.00 0.00 0.00 0.00 174.94 177.58