#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsu h LEU 3 N 0.00 -1.69 -0.77 1.04 5.85 -1.98 0.23 115.31 117.99 1bsu h LEU 3 Ca 0.00 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.03 1bsu h LEU 3 Cb 0.00 0.66 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1bsu h LEU 3 CO 0.00 -0.49 0.40 -0.09 -0.34 0.00 0.00 178.44 177.92 1bsu h ARG 4 N -0.59 0.62 0.00 1.25 2.43 -2.00 0.64 114.38 116.72 1bsu h ARG 4 Ca 0.03 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1bsu h ARG 4 Cb 0.69 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1bsu h ARG 4 CO -0.42 0.41 -0.57 0.66 -1.51 0.00 0.00 179.97 178.54 1bsu h SER 5 N 0.64 0.00 -0.05 -3.80 4.64 -1.84 -1.33 113.55 111.82 1bsu h SER 5 Ca 0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1bsu h SER 5 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1bsu h SER 5 CO -0.29 0.57 -0.31 0.44 -0.87 0.00 0.00 176.83 176.36 1bsu h ASP 6 N 0.00 0.35 -0.26 4.97 3.32 0.30 -1.79 116.42 123.31 1bsu h ASP 6 Ca -0.01 -0.68 0.02 0.00 0.02 0.00 0.00 57.03 56.38 1bsu h ASP 6 Cb 1.27 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1bsu h ASP 6 CO 0.07 0.98 0.11 0.25 -1.72 0.00 0.00 179.24 178.93 1bsu h LEU 7 N -0.25 0.14 -1.01 1.55 5.85 -0.89 0.41 115.31 121.11 1bsu h LEU 7 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1bsu h LEU 7 Cb 0.99 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1bsu h LEU 7 CO 0.06 0.12 0.59 0.40 -0.34 0.00 0.00 178.44 179.27 1bsu h ILE 8 N 0.24 1.25 -0.14 4.05 2.04 -1.29 0.77 117.51 124.43 1bsu h ILE 8 Ca 0.11 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1bsu h ILE 8 Cb 0.05 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1bsu h ILE 8 CO -0.09 0.26 -0.21 0.78 0.00 0.00 0.00 178.15 178.88 1bsu h ASN 9 N 1.29 0.44 -0.94 1.72 2.35 -0.52 -2.55 115.58 117.37 1bsu h ASN 9 Ca 0.34 -0.52 0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1bsu h ASN 9 Cb -0.10 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.08 1bsu h ASN 9 CO -0.07 0.88 0.59 0.00 -1.65 0.00 0.00 177.43 177.18 1bsu h ALA 10 N 0.57 1.32 -0.24 -0.83 0.00 0.10 0.10 119.26 120.28 1bsu h ALA 10 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bsu h ALA 10 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bsu h ALA 10 CO 0.05 0.32 0.11 -0.07 0.00 0.00 0.00 179.25 179.65 1bsu h LEU 11 N 1.04 0.32 -0.74 0.00 3.38 -0.80 0.58 115.31 119.09 1bsu h LEU 11 Ca 0.42 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1bsu h LEU 11 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1bsu h LEU 11 CO -0.20 0.38 -0.04 1.88 0.09 0.00 0.00 178.44 180.55 1bsu h TYR 12 N 0.25 1.01 0.72 1.13 0.99 -1.00 -3.20 116.97 116.86 1bsu h TYR 12 Ca 0.08 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 1bsu h TYR 12 Cb 0.15 -0.26 0.01 0.00 1.00 0.00 0.00 36.73 37.62 1bsu h TYR 12 CO -0.02 0.92 -0.34 0.38 -0.00 0.00 0.00 178.16 179.10 1bsu h ASP 13 N 0.84 -0.81 -2.89 3.88 3.04 -0.67 -3.52 116.42 116.29 1bsu h ASP 13 Ca 0.15 0.01 -0.54 0.00 -3.24 0.00 0.00 57.03 53.41 1bsu h ASP 13 Cb 0.55 0.21 0.22 0.00 -1.04 0.00 0.00 39.33 39.27 1bsu h ASP 13 CO 0.03 -0.55 -0.98 -1.84 -2.04 0.00 0.00 179.24 173.86 1bsu n GLU 14 N -5.48 -0.12 -3.90 4.15 0.28 0.17 -5.09 120.64 110.64 1bsu n GLU 14 Ca -0.14 -0.01 -0.33 0.00 -0.16 0.00 0.00 57.16 56.53 1bsu n GLU 14 Cb 0.39 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.58 1bsu n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bsu s ASP 19 N -1.59 4.84 0.19 -1.84 1.01 -1.26 -4.96 116.67 113.06 1bsu s ASP 19 Ca 0.53 -2.44 -0.30 0.00 0.71 0.00 0.00 52.55 51.04 1bsu s ASP 19 Cb -0.23 -1.71 -0.08 0.00 1.01 0.00 0.00 42.92 41.91 1bsu s ASP 19 CO 0.71 -0.38 1.25 -0.69 0.21 0.00 0.00 175.17 176.27 1bsu s VAL 20 N 0.52 3.40 0.00 -1.27 1.01 -1.26 -4.93 120.40 117.87 1bsu s VAL 20 Ca 0.13 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1bsu s VAL 20 Cb -0.22 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1bsu s VAL 20 CO -0.04 0.18 0.16 0.00 0.00 0.00 0.00 175.10 175.40 1bsu n GLY 22 N 0.12 0.64 3.89 0.00 0.00 -1.26 -3.97 105.19 104.61 1bsu n GLY 22 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1bsu n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bsu s ILE 23 N -2.00 5.28 0.01 -0.61 -4.36 -0.35 -4.92 121.20 114.25 1bsu s ILE 23 Ca 0.00 -0.33 0.05 0.00 -0.26 0.00 0.00 60.65 60.11 1bsu s ILE 23 Cb 0.00 -3.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.18 1bsu s ILE 23 CO 0.00 0.23 -0.16 -0.51 0.24 0.00 0.00 174.94 174.74 1bsu s ILE 24 N -1.40 1.30 0.38 8.37 2.07 -1.26 -1.03 121.20 129.63 1bsu s ILE 24 Ca 0.30 -0.85 0.03 0.00 -1.41 0.00 0.00 60.65 58.73 1bsu s ILE 24 Cb -0.13 -1.11 -0.01 0.00 0.13 0.00 0.00 42.46 41.34 1bsu s ILE 24 CO 0.23 0.25 0.56 -0.94 -1.91 0.00 0.00 174.94 173.12 1bsu s SER 25 N -0.70 5.94 0.48 4.50 1.04 -0.76 -4.99 113.70 119.21 1bsu s SER 25 Ca 0.05 0.06 0.15 0.00 0.48 0.00 0.00 55.95 56.69 1bsu s SER 25 Cb -0.07 -1.43 1.14 0.00 0.10 0.00 0.00 66.02 65.76 1bsu s SER 25 CO 0.00 -0.53 2.07 0.00 0.98 0.00 0.00 173.24 175.77 1bsu h ALA 26 N 0.68 2.01 0.00 5.32 0.00 -2.01 -0.81 119.26 124.46 1bsu h ALA 26 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bsu h ALA 26 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bsu h ALA 26 CO 0.56 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 180.13 1bsu n GLU 27 N -4.49 0.73 -0.54 0.00 4.71 -1.26 -4.89 120.64 114.90 1bsu n GLU 27 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1bsu n GLU 27 Cb 0.21 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1bsu n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bsu n GLY 28 N 0.57 0.77 3.79 0.62 0.00 -0.31 -5.06 105.19 105.57 1bsu n GLY 28 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1bsu n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bsu s LYS 29 N -0.46 4.46 -0.16 1.61 0.00 -1.26 -3.53 119.74 120.41 1bsu s LYS 29 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 55.97 57.02 1bsu s LYS 29 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 37.83 34.61 1bsu s LYS 29 CO 0.00 0.58 -0.17 0.42 0.00 0.00 0.00 175.35 176.17 1bsu s ILE 30 N -1.17 2.42 -0.18 3.79 1.01 0.72 -1.82 121.20 125.97 1bsu s ILE 30 Ca 0.35 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1bsu s ILE 30 Cb -0.22 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 1bsu s ILE 30 CO 0.24 0.52 0.14 -0.31 0.00 0.00 0.00 174.94 175.54 1bsu s TYR 31 N 1.00 3.45 0.99 3.97 1.51 -0.20 -0.46 117.35 127.61 1bsu s TYR 31 Ca -0.02 0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 56.30 1bsu s TYR 31 Cb -0.15 -2.13 0.18 0.00 -0.11 0.00 0.00 41.96 39.76 1bsu s TYR 31 CO -0.04 0.37 1.08 -1.25 -1.11 0.00 0.00 175.55 174.60 1bsu s PRO 32 N 0.10 0.48 0.42 -1.71 0.04 -1.26 -1.22 135.00 131.85 1bsu s PRO 32 Ca 0.10 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 61.85 1bsu s PRO 32 Cb -0.11 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1bsu s PRO 32 CO -0.01 -2.76 0.74 -0.51 0.04 0.00 0.00 177.00 174.50 1bsu s LEU 33 N -6.55 3.78 0.60 -3.56 1.43 -1.25 -4.74 118.68 108.39 1bsu s LEU 33 Ca 0.65 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1bsu s LEU 33 Cb -0.20 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1bsu s LEU 33 CO 0.59 -0.44 0.92 -0.83 0.23 0.00 0.00 176.35 176.82 1bsu s GLY 34 N -3.60 1.61 0.00 -3.19 0.00 -1.26 -4.76 107.32 96.12 1bsu s GLY 34 Ca 0.48 -0.68 0.22 0.00 0.00 0.00 0.00 44.72 44.74 1bsu s GLY 34 CO 0.37 -0.39 1.49 -1.14 0.00 0.00 0.00 173.10 173.43 1bsu n SER 35 N -2.63 3.60 -4.98 1.64 3.41 -1.26 -4.75 113.62 108.66 1bsu n SER 35 Ca 0.05 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 1bsu n SER 35 Cb 0.58 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1bsu n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1bsu s ASP 36 N -1.12 6.03 0.40 4.04 -4.77 -1.26 -4.98 116.67 115.01 1bsu s ASP 36 Ca 0.44 -0.01 0.17 0.00 -3.30 0.00 0.00 52.55 49.85 1bsu s ASP 36 Cb 0.24 -1.46 0.86 0.00 -1.09 0.00 0.00 42.92 41.47 1bsu s ASP 36 CO 0.31 -0.40 1.86 0.74 0.70 0.00 0.00 175.17 178.38 1bsu h THR 37 N 0.84 1.06 -0.98 2.11 2.02 -1.97 -1.67 112.91 114.32 1bsu h THR 37 Ca -0.47 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 65.58 1bsu h THR 37 Cb 1.25 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1bsu h THR 37 CO 0.56 0.31 0.64 0.11 0.37 0.00 0.00 175.52 177.51 1bsu h LYS 38 N 0.00 1.22 0.34 6.66 6.56 -1.99 0.44 116.57 129.79 1bsu h LYS 38 Ca -0.00 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1bsu h LYS 38 Cb 0.63 -0.27 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1bsu h LYS 38 CO 0.04 0.81 -0.16 -0.24 -2.06 0.00 0.00 179.45 177.83 1bsu h VAL 39 N 1.25 0.00 -0.89 0.50 3.04 -1.80 -3.30 116.25 115.06 1bsu h VAL 39 Ca 0.38 -0.49 0.09 0.00 -1.01 0.00 0.00 66.70 65.68 1bsu h VAL 39 Cb -0.02 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.19 1bsu h VAL 39 CO -0.11 0.00 0.57 -0.07 -1.01 0.00 0.00 177.57 176.95 1bsu h LEU 40 N -0.95 0.81 -0.52 3.16 3.38 -1.23 -1.62 115.31 118.35 1bsu h LEU 40 Ca -0.05 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bsu h LEU 40 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1bsu h LEU 40 CO 0.08 0.48 0.31 0.77 0.09 0.00 0.00 178.44 180.16 1bsu h SER 41 N 0.89 0.50 0.54 -0.43 4.64 -0.26 -0.36 113.55 119.07 1bsu h SER 41 Ca 0.41 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.64 1bsu h SER 41 Cb 0.39 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1bsu h SER 41 CO -0.17 0.35 -0.47 0.71 -0.87 0.00 0.00 176.83 176.38 1bsu h THR 42 N 0.61 1.27 0.06 2.95 1.35 -1.38 -2.20 112.91 115.57 1bsu h THR 42 Ca 0.21 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1bsu h THR 42 Cb 0.03 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1bsu h THR 42 CO -0.10 0.46 -0.03 0.40 -0.25 0.00 0.00 175.52 176.00 1bsu h ILE 43 N 0.00 1.19 -0.98 6.82 5.03 -0.93 -2.10 117.51 126.54 1bsu h ILE 43 Ca -0.00 -0.90 0.08 0.00 -0.12 0.00 0.00 64.86 63.92 1bsu h ILE 43 Cb 0.86 1.77 -0.07 0.00 -3.03 0.00 0.00 36.82 36.36 1bsu h ILE 43 CO 0.06 0.22 0.62 -0.26 -0.68 0.00 0.00 178.15 178.12 1bsu h PHE 44 N -0.49 1.15 -0.28 1.37 0.04 -1.01 0.48 116.94 118.19 1bsu h PHE 44 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1bsu h PHE 44 Cb 0.43 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1bsu h PHE 44 CO 0.06 0.54 0.15 1.49 -0.60 0.00 0.00 178.31 179.95 1bsu h GLU 45 N 1.08 0.39 -0.49 1.51 4.81 -1.36 -1.25 114.58 119.28 1bsu h GLU 45 Ca 0.45 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1bsu h GLU 45 Cb 0.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1bsu h GLU 45 CO -0.21 0.35 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.25 1bsu h LEU 46 N 0.33 0.89 -1.48 1.64 3.38 -0.26 -2.47 115.31 117.35 1bsu h LEU 46 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1bsu h LEU 46 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1bsu h LEU 46 CO -0.02 1.01 -0.19 0.15 0.09 0.00 0.00 178.44 179.49 1bsu h PHE 47 N 0.81 0.10 0.05 1.13 3.57 0.05 -3.22 116.94 119.42 1bsu h PHE 47 Ca 0.13 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.37 1bsu h PHE 47 Cb 0.62 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1bsu h PHE 47 CO 0.04 0.29 -1.24 0.77 -2.23 0.00 0.00 178.31 175.93 1bsu h SER 48 N 0.09 0.15 -0.48 0.41 0.02 -0.78 -3.38 113.55 109.57 1bsu h SER 48 Ca 0.02 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1bsu h SER 48 Cb 0.39 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.78 1bsu h SER 48 CO 0.03 1.15 -0.22 0.03 -1.14 0.00 0.00 176.83 176.67 1bsu h ARG 49 N 0.03 -0.11 -0.54 3.45 3.08 -1.48 -1.23 114.38 117.57 1bsu h ARG 49 Ca -0.11 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.04 1bsu h ARG 49 Cb 1.89 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.88 1bsu h ARG 49 CO 0.14 -0.07 0.08 -1.35 -1.07 0.00 0.00 179.97 177.70 1bsu h PRO 50 N -0.12 0.20 0.21 0.04 0.11 -1.75 -1.46 132.00 129.23 1bsu h PRO 50 Ca 0.23 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1bsu h PRO 50 Cb 0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1bsu h PRO 50 CO -0.56 0.13 -0.17 0.82 -0.21 0.00 0.00 178.00 178.02 1bsu h ILE 51 N 0.21 0.64 -0.28 4.15 2.04 -1.55 -1.32 117.51 121.40 1bsu h ILE 51 Ca 0.28 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.19 1bsu h ILE 51 Cb 0.41 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1bsu h ILE 51 CO -0.39 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.15 1bsu h ILE 52 N -0.39 0.78 -0.21 -0.67 5.03 -0.96 -2.31 117.51 118.79 1bsu h ILE 52 Ca -0.01 -0.02 -0.07 0.00 -0.12 0.00 0.00 64.86 64.64 1bsu h ILE 52 Cb 0.35 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 1bsu h ILE 52 CO -0.01 0.01 -0.17 -1.13 -0.68 0.00 0.00 178.15 176.17 1bsu h ASN 53 N 0.07 0.34 0.05 1.72 -1.24 -1.19 0.10 115.58 115.43 1bsu h ASN 53 Ca 0.14 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1bsu h ASN 53 Cb 0.18 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1bsu h ASN 53 CO -0.24 0.54 -0.02 0.50 -1.29 0.00 0.00 177.43 176.92 1bsu h LYS 54 N 0.33 -0.07 -0.04 6.67 3.64 -0.94 -2.06 116.57 124.10 1bsu h LYS 54 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bsu h LYS 54 Cb 0.50 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1bsu h LYS 54 CO 0.03 0.30 0.02 0.82 -2.27 0.00 0.00 179.45 178.35 1bsu h ILE 55 N -0.44 1.07 -0.54 2.00 1.08 -1.28 -1.30 117.51 118.10 1bsu h ILE 55 Ca -0.01 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 1bsu h ILE 55 Cb 0.39 1.13 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 1bsu h ILE 55 CO 0.01 0.06 0.24 0.00 -0.69 0.00 0.00 178.15 177.76 1bsu h ALA 56 N 0.94 0.68 -0.50 1.87 0.00 -1.05 -1.71 119.26 119.49 1bsu h ALA 56 Ca 0.01 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1bsu h ALA 56 Cb 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1bsu h ALA 56 CO -0.00 -0.14 -0.15 1.05 0.00 0.00 0.00 179.25 180.01 1bsu h GLU 57 N 0.45 -0.03 -0.05 0.00 -0.00 -0.93 0.25 114.58 114.27 1bsu h GLU 57 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.59 1bsu h GLU 57 Cb 0.22 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.98 1bsu h GLU 57 CO -0.21 -0.02 -0.06 1.57 -0.00 0.00 0.00 179.01 180.29 1bsu h LYS 58 N -0.03 0.07 -0.64 1.06 2.10 -0.38 -2.54 116.57 116.21 1bsu h LYS 58 Ca 0.24 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1bsu h LYS 58 Cb 0.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1bsu h LYS 58 CO -0.53 0.14 0.00 0.72 -2.00 0.00 0.00 179.45 177.77 1bsu n HIS 59 N -4.43 1.10 -1.03 0.07 8.25 0.79 -4.94 115.22 115.04 1bsu n HIS 59 Ca -0.02 -0.48 -0.01 0.00 -0.26 0.00 0.00 57.72 56.95 1bsu n HIS 59 Cb 0.16 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 1bsu n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsu n GLY 60 N 1.23 0.49 3.93 -1.41 0.00 -0.73 -5.04 105.19 103.65 1bsu n GLY 60 Ca 0.22 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1bsu n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bsu s TYR 61 N -2.00 3.50 0.03 1.61 1.51 -0.87 -4.58 117.35 116.55 1bsu s TYR 61 Ca 0.00 0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 56.09 1bsu s TYR 61 Cb 0.00 -1.71 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 1bsu s TYR 61 CO 0.00 0.55 0.46 0.42 -1.11 0.00 0.00 175.55 175.87 1bsu s ILE 62 N -1.62 4.95 0.01 2.71 1.09 0.12 -4.06 121.20 124.40 1bsu s ILE 62 Ca 0.35 0.90 0.02 0.00 -1.10 0.00 0.00 60.65 60.82 1bsu s ILE 62 Cb -0.12 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 1bsu s ILE 62 CO 0.28 0.53 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.94 1bsu s VAL 63 N -1.14 4.02 -0.11 2.92 1.01 -1.26 -1.90 120.40 123.95 1bsu s VAL 63 Ca 0.27 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1bsu s VAL 63 Cb -0.17 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.47 1bsu s VAL 63 CO 0.15 0.37 0.25 -0.70 0.00 0.00 0.00 175.10 175.17 1bsu s GLU 64 N -1.57 0.21 0.25 2.72 2.12 0.01 -4.96 118.70 117.49 1bsu s GLU 64 Ca 0.19 0.53 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1bsu s GLU 64 Cb -0.11 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.13 1bsu s GLU 64 CO 0.10 -0.16 0.35 -1.21 -0.54 0.00 0.00 175.26 173.80 1bsu s GLU 65 N 1.24 3.34 0.51 4.30 2.02 -1.26 -0.95 118.70 127.90 1bsu s GLU 65 Ca -0.09 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.89 1bsu s GLU 65 Cb -0.10 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 1bsu s GLU 65 CO -0.09 0.39 1.02 -1.25 0.02 0.00 0.00 175.26 175.35 1bsu s PRO 66 N -3.98 3.77 -0.15 0.39 0.04 -1.26 -5.00 135.00 128.81 1bsu s PRO 66 Ca 0.35 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1bsu s PRO 66 Cb -0.09 -2.10 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1bsu s PRO 66 CO 0.29 -0.44 0.15 1.57 0.04 0.00 0.00 177.00 178.61 1bsu h LYS 67 N 1.15 0.00 -6.73 4.56 -0.00 -1.98 -3.45 116.57 110.12 1bsu h LYS 67 Ca -0.48 0.00 -0.51 0.00 -0.00 0.00 0.00 60.65 59.66 1bsu h LYS 67 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.45 1bsu h LYS 67 CO 0.59 0.50 0.51 1.14 -0.00 0.00 0.00 179.45 182.20 1bsu s GLN 68 N -2.14 4.56 0.19 0.07 0.00 -1.26 -4.93 119.66 116.15 1bsu s GLN 68 Ca -0.17 1.83 0.21 0.00 -0.00 0.00 0.00 55.36 57.23 1bsu s GLN 68 Cb 0.02 -3.22 0.88 0.00 0.00 0.00 0.00 33.01 30.69 1bsu s GLN 68 CO 0.38 0.05 1.64 1.04 0.00 0.00 0.00 175.29 178.41 1bsu n GLN 69 N 1.90 0.14 -2.59 9.60 6.02 -1.26 -3.32 117.38 127.87 1bsu n GLN 69 Ca 0.02 0.38 -0.29 0.00 -0.01 0.00 0.00 57.00 57.10 1bsu n GLN 69 Cb 0.45 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 1bsu n GLN 69 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bsu n ASN 70 N -2.04 5.01 -4.30 1.08 0.23 -1.26 -5.01 115.26 108.96 1bsu n ASN 70 Ca 0.02 -3.72 -0.27 0.00 -0.53 0.00 0.00 54.58 50.09 1bsu n ASN 70 Cb 0.21 -0.58 -0.14 0.00 -2.08 0.00 0.00 39.78 37.20 1bsu n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1bsu s HIS 71 N -3.61 2.00 0.01 -2.53 3.76 -1.21 -4.75 115.29 108.97 1bsu s HIS 71 Ca 0.48 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.97 1bsu s HIS 71 Cb 0.35 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.85 1bsu s HIS 71 CO -0.19 0.16 0.20 -0.47 -0.85 0.00 0.00 174.74 173.60 1bsu s TYR 72 N -0.92 3.55 0.51 1.40 5.04 0.15 -4.68 117.35 122.40 1bsu s TYR 72 Ca 0.09 0.37 0.06 0.00 -2.44 0.00 0.00 57.07 55.16 1bsu s TYR 72 Cb -0.10 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.40 1bsu s TYR 72 CO 0.03 0.63 0.40 -1.25 -1.34 0.00 0.00 175.55 174.02 1bsu s PRO 73 N -2.05 2.31 0.20 4.97 0.04 -1.26 -0.69 135.00 138.52 1bsu s PRO 73 Ca 0.29 -1.88 -0.10 0.00 0.04 0.00 0.00 61.00 59.35 1bsu s PRO 73 Cb -0.13 -2.18 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1bsu s PRO 73 CO 0.20 -0.50 1.84 -0.44 0.04 0.00 0.00 177.00 178.13 1bsu h ASP 74 N 0.83 0.88 -3.42 6.66 3.32 -1.75 -3.40 116.42 119.53 1bsu h ASP 74 Ca -0.38 -0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.19 1bsu h ASP 74 Cb 1.29 -0.22 -0.35 0.00 0.22 0.00 0.00 39.33 40.27 1bsu h ASP 74 CO 0.57 0.69 -0.77 -0.36 -1.72 0.00 0.00 179.24 177.66 1bsu s PHE 75 N -5.94 0.69 -0.24 4.55 0.08 -0.50 -4.29 117.98 112.33 1bsu s PHE 75 Ca -0.13 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 1bsu s PHE 75 Cb 0.15 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 1bsu s PHE 75 CO 0.79 -0.21 0.02 0.99 -0.10 0.00 0.00 175.22 176.70 1bsu s THR 76 N 1.13 3.85 -0.06 0.64 2.01 -0.13 -1.19 115.64 121.89 1bsu s THR 76 Ca -0.08 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1bsu s THR 76 Cb -0.14 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1bsu s THR 76 CO -0.01 0.36 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 1bsu s LEU 77 N 1.54 3.01 -0.10 4.42 1.02 -0.04 -0.81 118.68 127.73 1bsu s LEU 77 Ca 0.06 -0.09 -0.30 0.00 0.02 0.00 0.00 54.13 53.82 1bsu s LEU 77 Cb -0.15 -1.64 0.12 0.00 0.02 0.00 0.00 46.19 44.54 1bsu s LEU 77 CO 0.00 0.35 0.99 -0.72 0.02 0.00 0.00 176.35 176.99 1bsu s TYR 78 N -0.79 -0.32 0.10 0.29 1.13 -0.80 -0.76 117.35 116.21 1bsu s TYR 78 Ca 0.12 0.35 -0.08 0.00 -1.41 0.00 0.00 57.07 56.04 1bsu s TYR 78 Cb -0.11 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.20 1bsu s TYR 78 CO 0.01 -0.41 0.40 0.15 -2.51 0.00 0.00 175.55 173.19 1bsu s LYS 79 N -2.23 3.72 0.50 -3.49 1.02 -1.25 0.13 119.74 118.14 1bsu s LYS 79 Ca 0.03 0.11 0.29 0.00 0.02 0.00 0.00 55.97 56.42 1bsu s LYS 79 Cb -0.01 -2.94 1.12 0.00 -0.52 0.00 0.00 37.83 35.47 1bsu s LYS 79 CO -0.04 0.53 1.89 -1.35 -0.92 0.00 0.00 175.35 175.46 1bsu h PRO 80 N 3.44 0.00 0.02 -1.68 0.11 -2.00 -2.93 132.00 128.96 1bsu h PRO 80 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1bsu h PRO 80 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1bsu h PRO 80 CO 0.68 0.09 -1.00 0.66 -0.21 0.00 0.00 178.00 178.22 1bsu h SER 81 N 0.00 0.62 -3.13 -2.05 4.64 -1.97 -3.37 113.55 108.28 1bsu h SER 81 Ca -0.00 -0.51 -0.68 0.00 -0.47 0.00 0.00 61.79 60.13 1bsu h SER 81 Cb 0.64 -0.19 -0.38 0.00 -0.31 0.00 0.00 62.40 62.16 1bsu h SER 81 CO 0.01 1.32 -0.24 -0.62 -0.87 0.00 0.00 176.83 176.43 1bsu n GLU 82 N -3.75 2.48 0.07 4.77 4.71 -1.11 -4.93 120.64 122.88 1bsu n GLU 82 Ca -0.08 -4.51 -0.05 0.00 -0.01 0.00 0.00 57.16 52.51 1bsu n GLU 82 Cb 0.87 -2.37 -0.10 0.00 -1.01 0.00 0.00 31.44 28.83 1bsu n GLU 82 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1bsu h PRO 83 N 5.63 0.00 -0.96 3.49 0.13 -1.73 -3.25 132.00 135.30 1bsu h PRO 83 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 1bsu h PRO 83 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1bsu h PRO 83 CO 0.84 0.92 0.04 0.09 -0.23 0.00 0.00 178.00 179.66 1bsu n ASN 84 N -3.33 2.31 -2.93 1.44 3.02 -1.26 -3.70 115.26 110.79 1bsu n ASN 84 Ca 0.00 -2.19 -0.20 0.00 -0.03 0.00 0.00 54.58 52.17 1bsu n ASN 84 Cb 0.91 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1bsu n ASN 84 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1bsu n LYS 85 N 0.16 1.90 -2.90 3.52 -0.00 -1.22 -4.65 118.16 114.97 1bsu n LYS 85 Ca 0.06 -3.88 -0.39 0.00 -0.00 0.00 0.00 58.31 54.10 1bsu n LYS 85 Cb 0.52 -1.82 -0.06 0.00 -0.00 0.00 0.00 35.03 33.66 1bsu n LYS 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1bsu s LYS 86 N -2.98 4.66 -0.10 -1.58 1.02 0.04 -4.77 119.74 116.04 1bsu s LYS 86 Ca 0.41 1.27 -0.03 0.00 0.02 0.00 0.00 55.97 57.64 1bsu s LYS 86 Cb 0.36 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1bsu s LYS 86 CO -0.09 0.54 0.03 0.42 -0.92 0.00 0.00 175.35 175.34 1bsu s ILE 87 N -1.19 4.57 -0.16 2.17 1.01 0.06 -0.97 121.20 126.70 1bsu s ILE 87 Ca 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1bsu s ILE 87 Cb -0.24 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1bsu s ILE 87 CO 0.28 0.60 -0.06 0.00 0.00 0.00 0.00 174.94 175.77 1bsu s ALA 88 N -0.87 2.90 -0.05 9.38 0.00 0.10 -0.86 121.76 132.36 1bsu s ALA 88 Ca 0.13 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1bsu s ALA 88 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1bsu s ALA 88 CO 0.03 0.15 -0.15 0.42 0.00 0.00 0.00 175.76 176.20 1bsu s ILE 89 N 0.49 1.31 -0.04 0.00 1.01 -0.33 0.46 121.20 124.10 1bsu s ILE 89 Ca -0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1bsu s ILE 89 Cb -0.15 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1bsu s ILE 89 CO 0.03 0.39 0.09 -0.62 0.00 0.00 0.00 174.94 174.82 1bsu s ASP 90 N 0.28 -0.05 0.06 3.58 2.15 -0.85 -1.40 116.67 120.44 1bsu s ASP 90 Ca -0.08 0.17 -0.20 0.00 0.43 0.00 0.00 52.55 52.87 1bsu s ASP 90 Cb -0.13 0.11 -0.06 0.00 -0.30 0.00 0.00 42.92 42.53 1bsu s ASP 90 CO 0.03 -0.10 0.59 -0.63 -0.17 0.00 0.00 175.17 174.90 1bsu s ILE 91 N 0.70 4.74 -0.00 4.11 1.09 -1.26 -1.21 121.20 129.37 1bsu s ILE 91 Ca -0.05 1.27 0.01 0.00 -1.10 0.00 0.00 60.65 60.77 1bsu s ILE 91 Cb -0.08 -3.93 -0.00 0.00 -1.06 0.00 0.00 42.46 37.39 1bsu s ILE 91 CO -0.03 0.52 -0.04 -0.54 -0.10 0.00 0.00 174.94 174.76 1bsu s LYS 92 N -0.91 0.30 0.04 2.79 -0.14 -0.56 -4.94 119.74 116.33 1bsu s LYS 92 Ca 0.30 -0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.77 1bsu s LYS 92 Cb -0.20 -0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 35.66 1bsu s LYS 92 CO 0.19 0.07 -0.07 0.99 -0.76 0.00 0.00 175.35 175.77 1bsu s THR 93 N -0.16 0.52 0.24 2.17 2.01 -1.26 -0.90 115.64 118.26 1bsu s THR 93 Ca 0.01 -1.08 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 1bsu s THR 93 Cb -0.02 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.92 1bsu s THR 93 CO -0.00 -0.40 0.75 0.28 -0.69 0.00 0.00 174.62 174.56 1bsu s THR 94 N -1.42 0.00 0.31 -0.82 -1.32 -1.00 -4.88 115.64 106.50 1bsu s THR 94 Ca -0.10 -0.83 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 1bsu s THR 94 Cb -0.10 -1.87 -0.06 0.00 -1.51 0.00 0.00 72.50 68.96 1bsu s THR 94 CO 0.00 0.00 -0.03 -0.72 -2.21 0.00 0.00 174.62 171.66 1bsu s TYR 95 N -3.79 2.04 0.39 9.09 1.13 -1.26 -2.59 117.35 122.36 1bsu s TYR 95 Ca 0.10 -0.73 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 1bsu s TYR 95 Cb -0.05 -1.23 -0.06 0.00 -1.10 0.00 0.00 41.96 39.53 1bsu s TYR 95 CO 0.04 0.26 0.04 0.95 -2.51 0.00 0.00 175.55 174.33 1bsu s THR 96 N -3.01 1.37 0.00 -3.49 -4.23 0.24 -4.89 115.64 101.63 1bsu s THR 96 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1bsu s THR 96 Cb 0.05 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1bsu s THR 96 CO 0.14 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.81 1bsu n ASN 97 N -0.94 2.91 -3.58 3.99 5.03 -1.26 -0.69 115.26 120.72 1bsu n ASN 97 Ca -0.06 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.34 1bsu n ASN 97 Cb 0.67 0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 39.97 1bsu n ASN 97 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1bsu s ILE 103 N -1.19 0.00 0.01 2.41 -4.36 -1.15 -4.88 121.20 112.05 1bsu s ILE 103 Ca 0.00 -0.05 -0.21 0.00 -0.26 0.00 0.00 60.65 60.12 1bsu s ILE 103 Cb 0.00 -1.14 0.05 0.00 1.25 0.00 0.00 42.46 42.62 1bsu s ILE 103 CO 0.00 0.00 0.48 -1.59 0.24 0.00 0.00 174.94 174.07 1bsu s LYS 104 N -2.66 0.93 0.41 0.37 -2.85 -1.26 -2.53 119.74 112.15 1bsu s LYS 104 Ca 0.09 -0.15 0.07 0.00 -1.00 0.00 0.00 55.97 54.98 1bsu s LYS 104 Cb -0.00 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1bsu s LYS 104 CO -0.06 -0.30 0.03 -0.06 0.10 0.00 0.00 175.35 175.06 1bsu s PHE 105 N -1.91 2.51 -0.08 1.78 0.40 -1.26 -4.87 117.98 114.56 1bsu s PHE 105 Ca -0.09 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1bsu s PHE 105 Cb -0.02 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1bsu s PHE 105 CO 0.02 0.41 -0.09 0.95 0.70 0.00 0.00 175.22 177.21 1bsu s THR 106 N -2.70 3.46 -0.10 0.64 -4.23 -1.26 -2.22 115.64 109.22 1bsu s THR 106 Ca 0.35 -0.56 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 1bsu s THR 106 Cb 0.09 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.74 1bsu s THR 106 CO 0.18 0.58 1.11 0.18 -0.54 0.00 0.00 174.62 176.13 1bsu n LEU 107 N 2.51 2.03 0.00 4.79 4.77 0.10 -4.94 117.00 126.27 1bsu n LEU 107 Ca -0.18 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1bsu n LEU 107 Cb 0.53 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1bsu n LEU 107 CO 0.27 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1bsu n GLY 108 N -1.17 2.08 3.82 -0.72 0.00 -1.26 -4.77 105.19 103.17 1bsu n GLY 108 Ca 0.12 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1bsu n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bsu s GLY 109 N 0.00 2.13 0.00 -0.02 0.00 -1.26 0.11 107.32 108.27 1bsu s GLY 109 Ca 0.00 0.33 0.10 0.00 0.00 0.00 0.00 44.72 45.15 1bsu s GLY 109 CO 0.00 0.63 1.07 1.58 0.00 0.00 0.00 173.10 176.38 1bsu n TYR 110 N -1.81 0.25 0.19 1.90 0.18 -0.89 -4.48 117.16 112.50 1bsu n TYR 110 Ca 0.08 -0.30 0.02 0.00 1.88 0.00 0.00 57.90 59.58 1bsu n TYR 110 Cb 0.53 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1bsu n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1bsu n THR 111 N 0.48 0.00 0.00 -3.48 -2.24 -1.26 -4.58 114.28 103.21 1bsu n THR 111 Ca 0.09 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1bsu n THR 111 Cb 0.35 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1bsu n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bsu n SER 112 N -0.20 0.00 0.31 3.42 3.41 -1.26 -4.60 113.62 114.69 1bsu n SER 112 Ca 0.02 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.82 1bsu n SER 112 Cb 0.09 0.00 0.97 0.00 -0.26 0.00 0.00 64.21 65.01 1bsu n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1bsu h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.63 0.15 116.94 117.64 1bsu h PHE 113 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 1bsu h PHE 113 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 1bsu h PHE 113 CO 0.00 0.00 -0.10 -0.84 -2.00 0.00 0.00 178.31 175.37 1bsu h ILE 114 N 0.00 0.17 0.00 0.88 3.07 -1.87 -3.31 117.51 116.44 1bsu h ILE 114 Ca 0.02 -1.22 -0.02 0.00 1.55 0.00 0.00 64.86 65.19 1bsu h ILE 114 Cb 0.40 2.07 -0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1bsu h ILE 114 CO -0.00 0.10 -1.67 0.54 -1.05 0.00 0.00 178.15 176.07 1bsu n ARG 115 N -3.13 0.54 -3.69 0.16 1.74 -0.58 -4.88 116.66 106.82 1bsu n ARG 115 Ca 0.03 -0.12 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 1bsu n ARG 115 Cb 0.56 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 30.50 1bsu n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1bsu s ASN 116 N -3.71 3.12 0.51 0.55 3.84 0.42 -5.04 114.94 114.62 1bsu s ASN 116 Ca -0.05 -1.00 0.26 0.00 0.21 0.00 0.00 52.86 52.28 1bsu s ASN 116 Cb 0.09 -0.57 0.89 0.00 -0.55 0.00 0.00 41.25 41.11 1bsu s ASN 116 CO 0.59 -0.35 1.14 -3.20 -2.79 0.00 0.00 177.10 172.49 1bsu n ASN 117 N 5.07 0.00 -0.19 -4.21 5.15 -1.26 -1.53 115.26 118.29 1bsu n ASN 117 Ca -0.07 0.68 0.03 0.00 -0.60 0.00 0.00 54.58 54.62 1bsu n ASN 117 Cb 0.46 -0.25 0.05 0.00 -0.53 0.00 0.00 39.78 39.50 1bsu n ASN 117 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1bsu n THR 118 N -3.06 0.79 -3.03 -0.44 -2.24 -1.26 -1.00 114.28 104.04 1bsu n THR 118 Ca 0.23 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.68 1bsu n THR 118 Cb 1.38 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1bsu n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bsu s LYS 119 N -1.12 4.18 -1.46 -0.78 3.01 -0.58 -4.17 119.74 118.81 1bsu s LYS 119 Ca 0.11 0.72 -0.11 0.00 -1.01 0.00 0.00 55.97 55.68 1bsu s LYS 119 Cb 0.09 -3.62 0.06 0.00 -1.01 0.00 0.00 37.83 33.35 1bsu s LYS 119 CO 0.01 -0.38 1.00 0.09 0.51 0.00 0.00 175.35 176.58 1bsu n ASN 120 N 5.54 -4.68 -3.94 2.83 4.13 -1.26 -2.65 115.26 115.23 1bsu n ASN 120 Ca 0.01 -0.72 -0.15 0.00 1.68 0.00 0.00 54.58 55.40 1bsu n ASN 120 Cb 0.49 -4.21 -0.14 0.00 -1.54 0.00 0.00 39.78 34.38 1bsu n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1bsu s ILE 121 N -3.35 0.29 0.10 2.41 2.07 -1.26 -0.67 121.20 120.79 1bsu s ILE 121 Ca 0.55 -0.18 -0.22 0.00 -1.41 0.00 0.00 60.65 59.38 1bsu s ILE 121 Cb -0.27 -0.26 -0.13 0.00 0.13 0.00 0.00 42.46 41.93 1bsu s ILE 121 CO 0.80 0.07 1.74 0.58 -1.91 0.00 0.00 174.94 176.22 1bsu h VAL 122 N 5.04 0.99 -3.55 4.00 2.07 -1.26 -3.44 116.25 120.09 1bsu h VAL 122 Ca -0.27 -0.01 -0.65 0.00 0.82 0.00 0.00 66.70 66.59 1bsu h VAL 122 Cb 1.20 0.97 -0.20 0.00 -1.52 0.00 0.00 31.29 31.73 1bsu h VAL 122 CO 0.50 0.00 -0.84 -0.31 0.02 0.00 0.00 177.57 176.94 1bsu s TYR 123 N -6.19 2.23 0.15 1.57 2.02 -1.26 -5.09 117.35 110.77 1bsu s TYR 123 Ca -0.13 -0.38 -0.34 0.00 -0.37 0.00 0.00 57.07 55.85 1bsu s TYR 123 Cb 0.07 -1.16 -0.15 0.00 -0.40 0.00 0.00 41.96 40.32 1bsu s TYR 123 CO 0.66 0.40 1.34 -2.30 -1.57 0.00 0.00 175.55 174.08 1bsu n PRO 124 N 0.60 1.46 -0.32 -1.71 -0.02 -1.26 -4.82 135.00 128.93 1bsu n PRO 124 Ca -0.15 0.52 0.35 0.00 -2.02 0.00 0.00 63.50 62.20 1bsu n PRO 124 Cb 0.55 -2.14 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 1bsu n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1bsu h PHE 125 N 4.37 0.00 0.00 6.00 3.57 -1.38 -0.45 116.94 129.06 1bsu h PHE 125 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1bsu h PHE 125 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1bsu h PHE 125 CO 0.58 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 176.26 1bsu n ASP 126 N -4.00 0.00 -0.13 0.41 5.68 -1.26 -2.86 116.55 114.38 1bsu n ASP 126 Ca 0.26 -0.03 0.13 0.00 -0.50 0.00 0.00 54.79 54.65 1bsu n ASP 126 Cb 1.30 -0.29 0.32 0.00 -1.14 0.00 0.00 41.12 41.31 1bsu n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bsu n GLN 127 N -1.29 0.45 -3.73 0.11 6.02 -0.18 -4.85 117.38 113.91 1bsu n GLN 127 Ca 0.11 -0.26 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 1bsu n GLN 127 Cb 0.19 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.88 1bsu n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1bsu s TYR 128 N -2.73 3.41 -1.44 1.08 1.51 -1.14 -0.78 117.35 117.26 1bsu s TYR 128 Ca 0.18 0.33 0.18 0.00 -1.01 0.00 0.00 57.07 56.75 1bsu s TYR 128 Cb 0.18 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1bsu s TYR 128 CO 0.60 0.30 0.88 0.44 -1.11 0.00 0.00 175.55 176.66 1bsu n ILE 129 N 3.49 0.00 -3.64 2.71 -6.64 -0.14 -4.88 119.36 110.25 1bsu n ILE 129 Ca -0.16 -0.26 -0.15 0.00 -1.77 0.00 0.00 62.75 60.41 1bsu n ILE 129 Cb 0.52 1.16 -0.08 0.00 -1.44 0.00 0.00 39.64 39.80 1bsu n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1bsu s ALA 130 N -2.21 -1.45 -0.31 -1.28 0.00 -1.24 -5.06 121.76 110.20 1bsu s ALA 130 Ca 0.13 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 1bsu s ALA 130 Cb 0.14 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.80 1bsu s ALA 130 CO 0.52 -0.30 0.11 -1.01 0.00 0.00 0.00 175.76 175.07 1bsu s HIS 131 N -0.32 1.67 0.05 0.00 3.76 -1.26 -0.72 115.29 118.46 1bsu s HIS 131 Ca -0.05 -1.74 -0.05 0.00 -0.15 0.00 0.00 55.06 53.07 1bsu s HIS 131 Cb -0.03 -1.69 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 1bsu s HIS 131 CO 0.04 -0.87 0.28 -1.58 -0.85 0.00 0.00 174.74 171.76 1bsu s TRP 132 N 1.58 3.54 -0.12 1.40 0.51 0.17 0.02 118.94 126.04 1bsu s TRP 132 Ca 0.10 0.51 0.02 0.00 -2.12 0.00 0.00 56.10 54.61 1bsu s TRP 132 Cb -0.18 -1.95 -0.01 0.00 -0.81 0.00 0.00 33.47 30.52 1bsu s TRP 132 CO -0.24 0.57 -0.18 0.42 -0.51 0.00 0.00 176.95 177.01 1bsu s ILE 133 N -1.42 2.63 -0.38 2.03 -1.09 0.14 -2.00 121.20 121.12 1bsu s ILE 133 Ca 0.32 -0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 1bsu s ILE 133 Cb -0.13 -2.07 0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1bsu s ILE 133 CO 0.20 0.54 0.19 -0.63 -1.23 0.00 0.00 174.94 174.01 1bsu s ILE 134 N 0.38 4.26 -0.18 2.92 1.01 -0.35 -1.56 121.20 127.67 1bsu s ILE 134 Ca -0.14 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.35 1bsu s ILE 134 Cb -0.17 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1bsu s ILE 134 CO 0.07 -0.30 0.05 -0.83 0.00 0.00 0.00 174.94 173.92 1bsu s GLY 135 N 1.67 1.88 -0.08 6.18 0.00 -0.40 -1.50 107.32 115.07 1bsu s GLY 135 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1bsu s GLY 135 CO 0.04 0.06 -0.04 -0.19 0.00 0.00 0.00 173.10 172.97 1bsu s TYR 136 N 0.41 3.04 -0.10 1.90 1.51 -0.08 -2.05 117.35 121.98 1bsu s TYR 136 Ca 0.02 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1bsu s TYR 136 Cb -0.13 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1bsu s TYR 136 CO 0.01 0.36 -0.10 0.08 -1.11 0.00 0.00 175.55 174.78 1bsu s VAL 137 N -0.74 1.14 0.09 0.71 1.01 0.21 -2.38 120.40 120.44 1bsu s VAL 137 Ca 0.11 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1bsu s VAL 137 Cb -0.11 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1bsu s VAL 137 CO 0.02 0.38 -0.26 -0.72 0.00 0.00 0.00 175.10 174.51 1bsu s TYR 138 N 1.24 2.34 -0.14 5.22 1.13 -1.07 -0.79 117.35 125.29 1bsu s TYR 138 Ca -0.03 -0.38 -0.18 0.00 -1.41 0.00 0.00 57.07 55.06 1bsu s TYR 138 Cb -0.14 -1.32 -0.04 0.00 -1.10 0.00 0.00 41.96 39.36 1bsu s TYR 138 CO -0.03 0.25 0.50 0.99 -2.51 0.00 0.00 175.55 174.74 1bsu s THR 139 N -0.95 5.16 0.15 -3.49 2.01 -0.88 -0.59 115.64 117.05 1bsu s THR 139 Ca 0.13 0.97 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 1bsu s THR 139 Cb -0.10 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 1bsu s THR 139 CO 0.04 0.28 1.33 0.00 -0.69 0.00 0.00 174.62 175.59 1bsu s ARG 140 N 0.90 4.36 0.00 4.92 3.03 0.13 -1.05 118.95 131.25 1bsu s ARG 140 Ca 0.26 2.04 0.00 0.00 2.03 0.00 0.00 55.73 60.05 1bsu s ARG 140 Cb -0.15 -3.23 0.00 0.00 -1.03 0.00 0.00 34.95 30.54 1bsu s ARG 140 CO 0.10 -0.33 0.00 1.33 -1.13 0.00 0.00 175.30 175.27 1bsu n VAL 141 N 3.34 0.00 -3.67 4.99 0.24 -1.26 -4.65 118.33 117.33 1bsu n VAL 141 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1bsu n VAL 141 Cb 0.43 -0.72 -0.08 0.00 -1.47 0.00 0.00 33.84 32.00 1bsu n VAL 141 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1bsu s SER 147 N -1.95 -0.56 -0.02 -1.34 0.15 -1.26 -5.02 113.70 103.71 1bsu s SER 147 Ca 0.00 0.96 0.18 0.00 0.70 0.00 0.00 55.95 57.79 1bsu s SER 147 Cb 0.00 0.97 0.54 0.00 -1.71 0.00 0.00 66.02 65.82 1bsu s SER 147 CO 0.00 -0.28 1.45 0.18 1.20 0.00 0.00 173.24 175.79 1bsu n LEU 148 N 2.34 3.69 -4.81 3.45 7.99 -1.26 -4.75 117.00 123.65 1bsu n LEU 148 Ca -0.15 -2.07 -0.22 0.00 -0.01 0.00 0.00 56.01 53.55 1bsu n LEU 148 Cb 0.56 -0.41 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1bsu n LEU 148 CO 0.12 0.88 -0.10 -0.54 -1.51 0.00 0.00 177.39 176.24 1bsu s LYS 149 N -1.14 2.46 0.19 3.23 3.01 -1.26 -5.09 119.74 121.15 1bsu s LYS 149 Ca 0.40 -1.57 0.06 0.00 -1.01 0.00 0.00 55.97 53.85 1bsu s LYS 149 Cb 0.22 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.74 1bsu s LYS 149 CO 0.26 -0.05 0.16 0.95 0.51 0.00 0.00 175.35 177.17 1bsu s THR 150 N -2.46 4.49 0.37 2.17 -4.23 -1.26 -4.26 115.64 110.47 1bsu s THR 150 Ca 0.43 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1bsu s THR 150 Cb -0.02 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 1bsu s THR 150 CO 0.25 -0.18 0.04 -0.31 -0.54 0.00 0.00 174.62 173.88 1bsu s TYR 151 N -1.87 2.13 0.18 3.99 1.51 0.39 -4.95 117.35 118.74 1bsu s TYR 151 Ca 0.32 -0.89 0.11 0.00 -1.01 0.00 0.00 57.07 55.60 1bsu s TYR 151 Cb -0.09 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1bsu s TYR 151 CO 0.24 0.14 -0.24 0.54 -1.11 0.00 0.00 175.55 175.12 1bsu s ASN 152 N -3.60 3.44 -0.63 2.29 4.22 -1.26 -0.20 114.94 119.21 1bsu s ASN 152 Ca 0.33 -0.84 -0.26 0.00 -2.14 0.00 0.00 52.86 49.95 1bsu s ASN 152 Cb 0.08 -0.26 -0.07 0.00 1.28 0.00 0.00 41.25 42.27 1bsu s ASN 152 CO 0.15 0.13 2.26 -0.63 -2.04 0.00 0.00 177.10 176.97 1bsu s ILE 153 N -1.57 3.12 0.00 0.54 1.01 -1.23 -1.13 121.20 121.94 1bsu s ILE 153 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1bsu s ILE 153 Cb -0.08 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1bsu s ILE 153 CO 0.09 -0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.34 1bsu n ASN 154 N 15.81 0.00 -0.66 3.58 4.13 -1.26 -4.91 115.26 131.96 1bsu n ASN 154 Ca 0.36 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.68 1bsu n ASN 154 Cb 0.51 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.91 1bsu n ASN 154 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1bsu n GLU 155 N 0.00 2.88 -0.34 3.52 1.02 -0.28 -4.68 120.64 122.76 1bsu n GLU 155 Ca 0.00 -2.11 0.22 0.00 -0.02 0.00 0.00 57.16 55.25 1bsu n GLU 155 Cb 0.00 -1.31 0.47 0.00 -0.02 0.00 0.00 31.44 30.57 1bsu n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bsu h LEU 156 N 2.00 0.53 -0.46 -4.62 3.38 -1.91 0.28 115.31 114.51 1bsu h LEU 156 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1bsu h LEU 156 Cb 0.78 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1bsu h LEU 156 CO 0.02 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.19 1bsu n ASN 157 N -4.77 0.69 -0.01 -0.43 3.02 -1.26 -3.35 115.26 109.15 1bsu n ASN 157 Ca 0.27 -1.52 0.08 0.00 -0.03 0.00 0.00 54.58 53.38 1bsu n ASN 157 Cb 0.87 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.87 1bsu n ASN 157 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bsu n GLU 158 N -0.33 0.50 -2.06 3.52 -0.58 0.98 -4.96 120.64 117.70 1bsu n GLU 158 Ca 0.15 -0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1bsu n GLU 158 Cb 0.18 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 1bsu n GLU 158 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1bsu s ILE 159 N -3.13 3.32 -0.02 -3.67 1.01 -1.12 -4.97 121.20 112.63 1bsu s ILE 159 Ca -0.06 0.75 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 1bsu s ILE 159 Cb 0.10 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1bsu s ILE 159 CO 0.68 -0.00 1.05 -2.16 0.00 0.00 0.00 174.94 174.51 1bsu s PRO 160 N 2.49 4.48 0.43 2.79 0.04 -1.26 -5.02 135.00 138.94 1bsu s PRO 160 Ca 0.69 1.51 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 1bsu s PRO 160 Cb -0.36 -3.47 -0.08 0.00 0.04 0.00 0.00 34.50 30.63 1bsu s PRO 160 CO 0.30 -0.19 1.15 0.15 0.04 0.00 0.00 177.00 178.45 1bsu s LYS 161 N 1.37 3.94 -0.02 4.56 3.01 -1.26 -4.79 119.74 126.56 1bsu s LYS 161 Ca 0.53 1.77 0.10 0.00 -1.01 0.00 0.00 55.97 57.35 1bsu s LYS 161 Cb -0.22 -2.54 0.32 0.00 -1.01 0.00 0.00 37.83 34.38 1bsu s LYS 161 CO 0.25 -0.40 1.23 -0.35 0.51 0.00 0.00 175.35 176.60 1bsu n PRO 162 N -0.19 2.00 -3.84 -1.68 -0.04 -1.26 -4.84 135.00 125.14 1bsu n PRO 162 Ca 0.06 -1.30 -0.12 0.00 -0.04 0.00 0.00 63.50 62.10 1bsu n PRO 162 Cb 0.48 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 1bsu n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bsu s TYR 163 N -1.59 -0.09 -0.58 0.54 -0.85 -1.26 -4.14 117.35 109.38 1bsu s TYR 163 Ca 0.24 0.22 0.25 0.00 -0.52 0.00 0.00 57.07 57.27 1bsu s TYR 163 Cb 0.14 0.02 0.86 0.00 0.38 0.00 0.00 41.96 43.36 1bsu s TYR 163 CO 0.14 -0.10 1.75 1.57 -1.52 0.00 0.00 175.55 177.40 1bsu h LYS 164 N 5.69 0.00 0.00 -3.49 5.09 -1.35 -3.46 116.57 119.04 1bsu h LYS 164 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.48 1bsu h LYS 164 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 1bsu h LYS 164 CO 0.43 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.20 1bsu n GLY 165 N 0.80 -0.52 3.36 0.07 0.00 -1.26 -4.94 105.19 102.71 1bsu n GLY 165 Ca 0.04 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 1bsu n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bsu s VAL 166 N -2.00 0.01 0.01 1.61 1.01 -1.26 -2.07 120.40 117.70 1bsu s VAL 166 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1bsu s VAL 166 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1bsu s VAL 166 CO 0.00 -0.04 -0.11 -0.54 0.00 0.00 0.00 175.10 174.42 1bsu s LYS 167 N -0.07 0.83 0.21 2.72 1.02 0.03 -4.98 119.74 119.51 1bsu s LYS 167 Ca -0.03 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.54 1bsu s LYS 167 Cb -0.03 -0.80 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 1bsu s LYS 167 CO 0.02 0.21 -0.05 0.54 -0.92 0.00 0.00 175.35 175.15 1bsu s VAL 168 N -0.44 1.18 -0.02 3.17 0.11 -1.26 -0.62 120.40 122.52 1bsu s VAL 168 Ca 0.03 -2.06 -0.29 0.00 -2.93 0.00 0.00 61.98 56.72 1bsu s VAL 168 Cb -0.05 -2.17 0.08 0.00 -1.53 0.00 0.00 36.38 32.70 1bsu s VAL 168 CO 0.00 -0.48 0.70 0.72 -3.33 0.00 0.00 175.10 172.72 1bsu s PHE 169 N -3.32 -0.60 -0.04 1.54 -0.12 -0.87 -4.98 117.98 109.59 1bsu s PHE 169 Ca 0.24 0.91 0.04 0.00 -0.05 0.00 0.00 56.93 58.07 1bsu s PHE 169 Cb 0.04 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1bsu s PHE 169 CO 0.06 -0.62 -0.14 -1.17 -0.05 0.00 0.00 175.22 173.30 1bsu s LEU 170 N -1.50 2.76 -0.05 -1.99 0.20 -1.26 -1.28 118.68 115.57 1bsu s LEU 170 Ca -0.07 -0.20 -0.29 0.00 0.69 0.00 0.00 54.13 54.25 1bsu s LEU 170 Cb -0.00 -1.57 0.09 0.00 -0.43 0.00 0.00 46.19 44.28 1bsu s LEU 170 CO 0.05 0.34 0.78 -1.58 -0.29 0.00 0.00 176.35 175.65 1bsu s GLN 171 N -0.79 0.93 0.41 1.98 2.00 -0.60 -4.95 119.66 118.63 1bsu s GLN 171 Ca 0.12 0.06 -0.26 0.00 -2.00 0.00 0.00 55.36 53.28 1bsu s GLN 171 Cb -0.11 0.44 -0.08 0.00 0.80 0.00 0.00 33.01 34.06 1bsu s GLN 171 CO 0.01 -0.32 1.24 -0.51 -0.50 0.00 0.00 175.29 175.21 1bsu s ASP 172 N -1.53 6.38 0.19 6.67 1.11 -1.26 0.27 116.67 128.50 1bsu s ASP 172 Ca -0.05 2.51 -0.12 0.00 0.18 0.00 0.00 52.55 55.07 1bsu s ASP 172 Cb -0.00 -2.63 0.11 0.00 1.07 0.00 0.00 42.92 41.47 1bsu s ASP 172 CO 0.02 -0.79 1.86 0.50 1.18 0.00 0.00 175.17 177.95 1bsu h LYS 173 N 2.63 0.85 -0.68 8.23 3.64 -0.73 -3.01 116.57 127.50 1bsu h LYS 173 Ca -0.49 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1bsu h LYS 173 Cb 1.24 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1bsu h LYS 173 CO 0.62 0.57 0.29 0.11 -2.27 0.00 0.00 179.45 178.77 1bsu h TRP 174 N 0.87 0.99 -0.77 1.91 5.08 -1.92 -2.07 115.95 120.03 1bsu h TRP 174 Ca 0.24 -0.05 0.01 0.00 1.08 0.00 0.00 58.89 60.16 1bsu h TRP 174 Cb -0.10 -0.30 -0.04 0.00 -3.00 0.00 0.00 29.16 25.72 1bsu h TRP 174 CO -0.03 0.74 0.51 0.28 -1.28 0.00 0.00 178.44 178.66 1bsu h VAL 175 N 0.97 1.20 -0.02 0.12 2.07 -1.91 -3.07 116.25 115.61 1bsu h VAL 175 Ca 0.23 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1bsu h VAL 175 Cb 0.16 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1bsu h VAL 175 CO -0.02 0.19 -0.40 2.30 0.02 0.00 0.00 177.57 179.66 1bsu n ILE 176 N -4.42 0.00 -2.06 4.57 -5.35 -1.02 -2.93 119.36 108.15 1bsu n ILE 176 Ca 0.08 -0.26 -0.38 0.00 -0.27 0.00 0.00 62.75 61.92 1bsu n ILE 176 Cb 0.03 1.13 0.01 0.00 -1.74 0.00 0.00 39.64 39.07 1bsu n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bsu s ALA 177 N -2.44 3.02 0.00 -1.28 0.00 -0.81 -0.63 121.76 119.62 1bsu s ALA 177 Ca 0.20 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1bsu s ALA 177 Cb 0.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1bsu s ALA 177 CO 0.54 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1bsu n GLY 178 N 0.60 2.85 0.15 0.00 0.00 -0.37 -4.29 105.19 104.13 1bsu n GLY 178 Ca 0.07 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1bsu n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bsu n ASP 179 N -1.41 0.96 -4.69 1.61 5.75 -1.26 -4.80 116.55 112.71 1bsu n ASP 179 Ca 0.00 -0.98 -0.35 0.00 -0.01 0.00 0.00 54.79 53.45 1bsu n ASP 179 Cb 0.00 0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 1bsu n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1bsu s LEU 180 N -1.49 3.68 0.43 -2.12 1.43 -1.26 -4.66 118.68 114.69 1bsu s LEU 180 Ca 0.06 0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 1bsu s LEU 180 Cb 0.06 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1bsu s LEU 180 CO 0.19 0.35 1.27 0.00 0.23 0.00 0.00 176.35 178.39 1bsu n ALA 181 N 2.32 1.31 0.05 4.21 0.00 -1.26 -2.63 120.51 124.50 1bsu n ALA 181 Ca -0.19 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1bsu n ALA 181 Cb 0.54 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 1bsu n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bsu h GLY 182 N 2.04 0.07 -4.67 0.00 0.00 0.71 -3.40 103.07 97.82 1bsu h GLY 182 Ca -0.48 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1bsu h GLY 182 CO 0.60 0.16 -0.55 -1.35 0.00 0.00 0.00 176.54 175.40 1bsu s SER 183 N -6.67 0.11 0.00 0.19 1.04 -1.16 -4.89 113.70 102.33 1bsu s SER 183 Ca -0.02 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1bsu s SER 183 Cb 0.09 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1bsu s SER 183 CO 0.83 -0.38 0.06 0.61 0.98 0.00 0.00 173.24 175.34 1bsu n GLY 184 N 1.36 0.56 0.21 7.32 0.00 -1.26 -3.34 105.19 110.03 1bsu n GLY 184 Ca -0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1bsu n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1bsu h ASN 185 N 0.00 0.00 -0.54 1.61 -1.07 -2.00 -2.96 115.58 110.63 1bsu h ASN 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1bsu h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1bsu h ASN 185 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.43 177.85 1bsu n THR 186 N -2.72 1.26 -2.50 6.14 -2.24 -1.26 -5.02 114.28 107.94 1bsu n THR 186 Ca 0.02 -1.11 -0.10 0.00 -2.27 0.00 0.00 64.05 60.59 1bsu n THR 186 Cb 0.29 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1bsu n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bsu n THR 187 N 0.95 -1.15 -4.15 4.28 -2.24 -1.12 -4.75 114.28 106.11 1bsu n THR 187 Ca 0.20 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.70 1bsu n THR 187 Cb 0.62 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.74 1bsu n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1bsu s ASN 188 N -1.60 4.94 0.13 3.42 0.02 -1.21 -2.09 114.94 118.55 1bsu s ASN 188 Ca 0.05 -0.25 -0.30 0.00 -1.02 0.00 0.00 52.86 51.34 1bsu s ASN 188 Cb -0.01 -1.13 -0.06 0.00 0.02 0.00 0.00 41.25 40.07 1bsu s ASN 188 CO 0.30 0.14 0.94 -0.63 0.02 0.00 0.00 177.10 177.87 1bsu s ILE 189 N -1.46 4.44 0.27 0.60 1.01 0.29 0.11 121.20 126.46 1bsu s ILE 189 Ca 0.26 2.05 -0.04 0.00 0.00 0.00 0.00 60.65 62.92 1bsu s ILE 189 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1bsu s ILE 189 CO 0.18 0.35 0.52 -0.83 0.00 0.00 0.00 174.94 175.17 1bsu s GLY 190 N -0.22 1.87 0.62 6.18 0.00 -1.08 0.02 107.32 114.70 1bsu s GLY 190 Ca 0.45 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.65 1bsu s GLY 190 CO 0.30 -0.51 0.85 -1.35 0.00 0.00 0.00 173.10 172.39 1bsu s SER 191 N -3.12 4.91 0.78 1.64 1.04 -0.94 -1.24 113.70 116.76 1bsu s SER 191 Ca 0.43 -0.82 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 1bsu s SER 191 Cb -0.11 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.44 1bsu s SER 191 CO 0.29 -1.50 1.18 0.27 0.98 0.00 0.00 173.24 174.47 1bsu s ILE 192 N -2.78 2.35 -0.89 -1.02 -4.36 0.20 -4.16 121.20 110.53 1bsu s ILE 192 Ca 0.63 0.15 -0.05 0.00 -0.26 0.00 0.00 60.65 61.12 1bsu s ILE 192 Cb -0.05 -2.56 0.22 0.00 1.25 0.00 0.00 42.46 41.33 1bsu s ILE 192 CO 0.41 -0.11 0.80 -2.28 0.24 0.00 0.00 174.94 173.99 1bsu s HIS 193 N -2.26 3.89 0.33 1.37 5.65 -1.26 -4.53 115.29 118.48 1bsu s HIS 193 Ca 0.71 -2.78 0.03 0.00 0.25 0.00 0.00 55.06 53.27 1bsu s HIS 193 Cb -0.26 -3.44 -0.05 0.00 -1.18 0.00 0.00 32.58 27.65 1bsu s HIS 193 CO 0.50 -0.83 0.08 0.00 -0.65 0.00 0.00 174.74 173.83 1bsu s ALA 194 N -0.94 2.37 0.67 1.58 0.00 -1.05 -4.83 121.76 119.57 1bsu s ALA 194 Ca 0.25 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1bsu s ALA 194 Cb -0.10 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1bsu s ALA 194 CO -0.10 -0.34 1.07 -1.01 0.00 0.00 0.00 175.76 175.38 1bsu s HIS 195 N -3.36 2.95 0.31 0.00 3.76 -1.26 -2.91 115.29 114.78 1bsu s HIS 195 Ca 0.34 1.48 0.07 0.00 -0.15 0.00 0.00 55.06 56.80 1bsu s HIS 195 Cb 0.07 -2.97 0.85 0.00 1.11 0.00 0.00 32.58 31.65 1bsu s HIS 195 CO 0.15 -1.32 1.67 -0.92 -0.85 0.00 0.00 174.74 173.47 1bsu h TYR 196 N -0.38 0.68 -0.37 1.40 3.20 -2.01 -1.91 116.97 117.59 1bsu h TYR 196 Ca -0.45 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.52 1bsu h TYR 196 Cb 1.22 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 1bsu h TYR 196 CO 0.60 -0.13 0.05 0.87 -1.64 0.00 0.00 178.16 177.91 1bsu h LYS 197 N 0.34 0.16 -0.62 1.82 1.79 -1.99 -1.95 116.57 116.12 1bsu h LYS 197 Ca 0.62 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 59.16 1bsu h LYS 197 Cb 1.28 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1bsu h LYS 197 CO -0.59 0.11 0.41 -0.44 -1.08 0.00 0.00 179.45 177.86 1bsu h ASP 198 N 0.17 0.48 -0.10 0.86 3.32 -1.70 0.34 116.42 119.79 1bsu h ASP 198 Ca 0.18 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 1bsu h ASP 198 Cb 0.22 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1bsu h ASP 198 CO -0.25 0.30 -0.61 -0.26 -1.72 0.00 0.00 179.24 176.71 1bsu h PHE 199 N 0.54 0.80 -0.25 4.55 0.04 -1.42 0.63 116.94 121.82 1bsu h PHE 199 Ca 0.27 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1bsu h PHE 199 Cb 0.37 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1bsu h PHE 199 CO -0.00 1.16 0.10 0.28 -0.60 0.00 0.00 178.31 179.25 1bsu h VAL 200 N 0.20 1.18 0.00 -0.55 2.07 -0.47 -2.95 116.25 115.73 1bsu h VAL 200 Ca -0.05 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 1bsu h VAL 200 Cb 1.25 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1bsu h VAL 200 CO 0.12 0.18 -0.52 -0.33 0.02 0.00 0.00 177.57 177.04 1bsu h GLU 201 N 0.25 0.00 -0.50 1.57 3.07 -0.42 -3.48 114.58 115.07 1bsu h GLU 201 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1bsu h GLU 201 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1bsu h GLU 201 CO -0.01 0.52 0.00 0.41 -1.40 0.00 0.00 179.01 178.54 1bsu n GLY 202 N 0.20 0.93 3.45 -3.84 0.00 0.04 -5.02 105.19 100.96 1bsu n GLY 202 Ca -0.01 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1bsu n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsu s LYS 203 N -2.21 3.97 0.00 1.61 3.01 -0.21 -4.91 119.74 120.99 1bsu s LYS 203 Ca 0.00 -2.43 0.00 0.00 -1.01 0.00 0.00 55.97 52.53 1bsu s LYS 203 Cb 0.00 -4.97 0.00 0.00 -1.01 0.00 0.00 37.83 31.85 1bsu s LYS 203 CO 0.00 -1.71 0.00 0.41 0.51 0.00 0.00 175.35 174.56 1bsu n GLY 204 N 4.33 0.78 0.00 -3.33 0.00 -1.15 -4.90 105.19 100.93 1bsu n GLY 204 Ca 0.32 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1bsu n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bsu n ILE 205 N -0.21 0.00 -2.85 -0.61 -5.35 -1.26 -5.02 119.36 104.05 1bsu n ILE 205 Ca 0.00 -0.14 -0.40 0.00 -0.27 0.00 0.00 62.75 61.94 1bsu n ILE 205 Cb 0.00 0.64 -0.05 0.00 -1.74 0.00 0.00 39.64 38.49 1bsu n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1bsu s PHE 206 N -1.70 3.81 0.08 4.28 0.08 -1.26 -4.95 117.98 118.31 1bsu s PHE 206 Ca 0.00 1.68 0.29 0.00 0.12 0.00 0.00 56.93 59.01 1bsu s PHE 206 Cb 0.00 -2.93 1.10 0.00 -0.57 0.00 0.00 43.02 40.62 1bsu s PHE 206 CO 0.00 0.29 1.89 -0.44 -0.10 0.00 0.00 175.22 176.86 1bsu h ASP 207 N 5.32 0.00 -5.02 1.36 3.32 -1.96 -3.47 116.42 115.97 1bsu h ASP 207 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1bsu h ASP 207 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1bsu h ASP 207 CO 0.70 0.10 0.24 -0.94 -1.72 0.00 0.00 179.24 177.62 1bsu s SER 208 N -5.95 -0.06 0.17 6.45 1.04 -1.26 -5.02 113.70 109.07 1bsu s SER 208 Ca 0.01 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.55 1bsu s SER 208 Cb 0.09 0.80 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 1bsu s SER 208 CO 0.59 -1.56 1.35 -0.08 0.98 0.00 0.00 173.24 174.52 1bsu h GLU 209 N 2.01 0.00 -0.35 4.02 4.81 -1.93 -2.70 114.58 120.44 1bsu h GLU 209 Ca -0.28 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 1bsu h GLU 209 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1bsu h GLU 209 CO 0.35 0.86 -0.08 0.22 -0.73 0.00 0.00 179.01 179.63 1bsu h ASP 210 N 0.00 0.57 -0.08 1.04 3.58 -1.99 -0.42 116.42 119.12 1bsu h ASP 210 Ca -0.01 -0.14 -0.20 0.00 0.42 0.00 0.00 57.03 57.10 1bsu h ASP 210 Cb 1.62 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.53 1bsu h ASP 210 CO 0.11 0.69 -0.74 -0.08 -2.88 0.00 0.00 179.24 176.34 1bsu h GLU 211 N 0.55 0.64 -0.21 0.28 4.81 -1.94 -2.39 114.58 116.32 1bsu h GLU 211 Ca 0.10 -0.58 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1bsu h GLU 211 Cb 0.47 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1bsu h GLU 211 CO 0.03 1.20 0.02 0.35 -0.73 0.00 0.00 179.01 179.87 1bsu h PHE 212 N 0.29 0.03 -0.10 0.92 3.57 -1.23 -1.74 116.94 118.67 1bsu h PHE 212 Ca -0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1bsu h PHE 212 Cb 1.40 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1bsu h PHE 212 CO 0.11 -0.01 0.05 -0.07 -2.23 0.00 0.00 178.31 176.16 1bsu h LEU 213 N 0.09 0.13 -0.25 0.59 3.38 -1.09 -2.46 115.31 115.71 1bsu h LEU 213 Ca 0.10 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1bsu h LEU 213 Cb 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1bsu h LEU 213 CO -0.15 0.22 0.11 -0.78 0.09 0.00 0.00 178.44 177.93 1bsu h ASP 214 N 0.04 0.15 -0.18 -0.43 3.58 -1.39 -0.45 116.42 117.74 1bsu h ASP 214 Ca 0.03 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.54 1bsu h ASP 214 Cb 0.12 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1bsu h ASP 214 CO -0.00 0.12 -0.09 0.22 -2.88 0.00 0.00 179.24 176.61 1bsu h TYR 215 N 0.24 -0.21 0.00 0.28 5.03 -1.25 -2.60 116.97 118.46 1bsu h TYR 215 Ca 0.11 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1bsu h TYR 215 Cb 0.05 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1bsu h TYR 215 CO -0.11 -0.14 0.00 -1.49 -1.32 0.00 0.00 178.16 175.10 1bsu h TRP 216 N -0.07 0.00 0.00 -3.82 4.06 -1.26 -2.12 115.95 112.74 1bsu h TRP 216 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1bsu h TRP 216 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1bsu h TRP 216 CO -0.24 0.00 -0.00 0.54 -3.56 0.00 0.00 178.44 175.18 1bsu n ARG 217 N -2.85 0.19 -0.01 0.49 1.74 -0.19 -3.69 116.66 112.34 1bsu n ARG 217 Ca 0.03 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1bsu n ARG 217 Cb 0.42 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1bsu n ARG 217 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bsu n ASN 218 N -2.05 1.63 -4.73 0.55 3.02 -1.01 -5.01 115.26 107.67 1bsu n ASN 218 Ca 0.06 -1.85 -0.41 0.00 -0.03 0.00 0.00 54.58 52.34 1bsu n ASN 218 Cb 0.40 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 1bsu n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsu s TYR 219 N -0.87 3.60 0.31 3.10 5.04 -0.82 -4.98 117.35 122.72 1bsu s TYR 219 Ca 0.01 1.58 -0.21 0.00 -2.44 0.00 0.00 57.07 56.01 1bsu s TYR 219 Cb 0.01 -3.26 -0.09 0.00 0.35 0.00 0.00 41.96 38.96 1bsu s TYR 219 CO 0.00 -0.58 0.84 -1.21 -1.34 0.00 0.00 175.55 173.26 1bsu s GLU 220 N -0.06 4.33 0.38 4.97 0.41 -1.26 -5.01 118.70 122.46 1bsu s GLU 220 Ca 0.50 1.05 0.05 0.00 -0.41 0.00 0.00 54.97 56.16 1bsu s GLU 220 Cb -0.28 -2.67 0.75 0.00 -1.78 0.00 0.00 34.13 30.14 1bsu s GLU 220 CO 0.33 0.25 2.00 0.00 -0.49 0.00 0.00 175.26 177.35 1bsu h ARG 221 N 2.91 0.60 -5.04 1.61 3.08 -1.95 -3.45 114.38 112.14 1bsu h ARG 221 Ca -0.48 -0.06 -0.35 0.00 0.07 0.00 0.00 59.98 59.17 1bsu h ARG 221 Cb 1.19 -0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.97 1bsu h ARG 221 CO 0.64 0.45 -0.68 0.95 -1.07 0.00 0.00 179.97 180.26 1bsu s THR 222 N -5.42 1.04 0.25 2.04 -4.23 -1.26 -5.04 115.64 103.02 1bsu s THR 222 Ca -0.08 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1bsu s THR 222 Cb 0.17 -2.13 0.23 0.00 1.34 0.00 0.00 72.50 72.12 1bsu s THR 222 CO 0.75 -0.50 1.72 0.28 -0.54 0.00 0.00 174.62 176.32 1bsu h SER 223 N 2.62 0.24 0.01 3.99 0.02 -1.98 -1.50 113.55 116.95 1bsu h SER 223 Ca -0.37 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1bsu h SER 223 Cb 1.21 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 1bsu h SER 223 CO 0.64 0.06 -0.24 1.56 -1.14 0.00 0.00 176.83 177.71 1bsu h GLN 224 N 0.41 -0.29 0.00 3.45 7.50 -1.98 0.22 115.11 124.41 1bsu h GLN 224 Ca 0.44 0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.58 1bsu h GLN 224 Cb 0.72 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.31 1bsu h GLN 224 CO -0.45 -0.20 -0.18 -0.07 -1.50 0.00 0.00 178.83 176.44 1bsu h LEU 225 N -0.31 0.00 -0.60 1.46 4.07 -1.93 -2.65 115.31 115.35 1bsu h LEU 225 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1bsu h LEU 225 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1bsu h LEU 225 CO -0.15 0.18 -0.65 0.03 -1.08 0.00 0.00 178.44 176.77 1bsu h ARG 226 N 0.00 0.20 -0.47 1.13 3.08 -0.73 -3.25 114.38 114.34 1bsu h ARG 226 Ca -0.00 -0.15 0.12 0.00 0.07 0.00 0.00 59.98 60.02 1bsu h ARG 226 Cb 0.53 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1bsu h ARG 226 CO 0.02 0.78 0.33 -0.91 -1.07 0.00 0.00 179.97 179.12 1bsu h ASN 227 N 0.14 0.05 -0.65 7.04 -0.26 -0.20 -0.85 115.58 120.85 1bsu h ASN 227 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1bsu h ASN 227 Cb 1.17 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1bsu h ASN 227 CO 0.10 0.03 0.00 -0.90 -1.06 0.00 0.00 177.43 175.60 1bsu n ASP 228 N -4.42 4.12 0.00 5.81 3.85 -1.23 -4.73 116.55 119.95 1bsu n ASP 228 Ca 0.08 -2.23 0.00 0.00 -0.71 0.00 0.00 54.79 51.93 1bsu n ASP 228 Cb 0.50 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1bsu n ASP 228 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1bsu n LYS 229 N 1.26 0.00 -3.61 0.11 4.81 -0.38 -5.15 118.16 115.19 1bsu n LYS 229 Ca 0.24 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.53 1bsu n LYS 229 Cb 0.72 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.70 1bsu n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1bsu s TYR 230 N 0.02 -0.71 -0.25 5.64 -0.85 -0.84 -4.79 117.35 115.58 1bsu s TYR 230 Ca 0.00 1.60 0.04 0.00 -0.52 0.00 0.00 57.07 58.19 1bsu s TYR 230 Cb 0.00 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1bsu s TYR 230 CO 0.00 -0.43 0.24 0.09 -1.52 0.00 0.00 175.55 173.94 1bsu n ASN 231 N 2.20 0.38 -1.94 -0.18 3.02 -1.26 -4.77 115.26 112.71 1bsu n ASN 231 Ca -0.15 -0.69 -0.06 0.00 -0.03 0.00 0.00 54.58 53.65 1bsu n ASN 231 Cb 0.56 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 1bsu n ASN 231 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bsu n ASN 232 N -0.88 -0.96 -0.14 6.41 0.23 -1.26 -4.76 115.26 113.90 1bsu n ASN 232 Ca 0.01 -1.87 -0.12 0.00 -0.53 0.00 0.00 54.58 52.07 1bsu n ASN 232 Cb 0.07 1.65 -0.00 0.00 -2.08 0.00 0.00 39.78 39.42 1bsu n ASN 232 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1bsu h ILE 233 N 1.50 1.27 -0.41 1.53 6.09 -1.98 -2.09 117.51 123.42 1bsu h ILE 233 Ca -0.16 -1.47 0.01 0.00 -1.37 0.00 0.00 64.86 61.88 1bsu h ILE 233 Cb 0.61 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 39.12 1bsu h ILE 233 CO 0.20 0.50 0.25 0.28 -3.07 0.00 0.00 178.15 176.31 1bsu h SER 234 N 0.81 0.41 0.06 2.19 0.02 -1.99 -2.17 113.55 112.87 1bsu h SER 234 Ca 0.09 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1bsu h SER 234 Cb 0.88 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1bsu h SER 234 CO 0.08 0.30 -0.35 -0.33 -1.14 0.00 0.00 176.83 175.39 1bsu h GLU 235 N 0.50 0.40 -0.58 3.45 5.08 -1.93 -1.21 114.58 120.30 1bsu h GLU 235 Ca 0.16 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1bsu h GLU 235 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1bsu h GLU 235 CO -0.06 0.70 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.68 1bsu h TYR 236 N 0.34 1.15 -0.17 4.33 3.20 -1.17 -0.41 116.97 124.24 1bsu h TYR 236 Ca 0.04 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.61 1bsu h TYR 236 Cb 0.77 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1bsu h TYR 236 CO 0.02 1.04 -0.25 0.00 -1.64 0.00 0.00 178.16 177.33 1bsu h ARG 237 N 0.94 0.31 0.00 1.82 3.08 -1.03 -0.47 114.38 119.03 1bsu h ARG 237 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1bsu h ARG 237 Cb 0.61 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1bsu h ARG 237 CO 0.04 0.55 -0.10 -0.97 -1.07 0.00 0.00 179.97 178.41 1bsu h ASN 238 N 0.28 0.00 0.93 7.04 -0.73 -0.98 -2.51 115.58 119.61 1bsu h ASN 238 Ca 0.04 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.00 1bsu h ASN 238 Cb 0.60 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.16 1bsu h ASN 238 CO 0.04 0.10 -1.00 -0.25 -0.37 0.00 0.00 177.43 175.95 1bsu h TRP 239 N 0.00 0.06 -0.12 0.67 7.01 -0.13 -2.70 115.95 120.74 1bsu h TRP 239 Ca -0.00 -0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.85 1bsu h TRP 239 Cb 0.94 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 1bsu h TRP 239 CO 0.00 1.01 -0.35 0.82 -2.79 0.00 0.00 178.44 177.13 1bsu h ILE 240 N 0.01 1.37 -0.56 2.65 1.08 -0.89 0.38 117.51 121.55 1bsu h ILE 240 Ca -0.02 -1.65 0.06 0.00 -0.39 0.00 0.00 64.86 62.86 1bsu h ILE 240 Cb 1.75 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 37.55 1bsu h ILE 240 CO 0.14 0.49 0.27 0.22 -0.69 0.00 0.00 178.15 178.57 1bsu h TYR 241 N 0.05 0.49 0.00 1.37 3.20 -1.46 -1.04 116.97 119.57 1bsu h TYR 241 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bsu h TYR 241 Cb 0.96 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1bsu h TYR 241 CO 0.11 0.21 0.00 0.54 -1.64 0.00 0.00 178.16 177.38 1bsu n ARG 242 N -4.90 0.03 -0.28 1.82 1.74 -1.02 -4.86 116.66 109.20 1bsu n ARG 242 Ca 0.06 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1bsu n ARG 242 Cb 0.18 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1bsu n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bsu n GLY 243 N -0.49 1.75 3.73 -0.13 0.00 -0.39 -5.08 105.19 104.57 1bsu n GLY 243 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1bsu n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86