#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxl n SER -2 N 0.00 -2.37 0.00 7.83 2.88 -1.26 -4.93 113.62 115.78 1bxl n SER -2 Ca 0.00 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1bxl n SER -2 Cb 0.00 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1bxl n SER -2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1bxl n MET -1 N -5.01 0.00 -2.00 -1.46 0.00 -1.26 -4.99 117.12 102.40 1bxl n MET -1 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.83 1bxl n MET -1 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.88 1bxl n MET -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1bxl n ALA 0 N 0.00 1.52 0.08 -5.12 0.00 -1.26 -4.92 120.51 110.81 1bxl n ALA 0 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1bxl n ALA 0 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1bxl n ALA 0 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bxl h MET 1 N 0.54 0.18 0.03 0.00 0.00 -1.97 -1.74 114.93 111.97 1bxl h MET 1 Ca -0.33 -0.24 -0.36 0.00 0.00 0.00 0.00 59.70 58.77 1bxl h MET 1 Cb 1.19 0.08 -0.05 0.00 0.00 0.00 0.00 31.60 32.82 1bxl h MET 1 CO -0.14 1.04 -2.17 0.43 0.00 0.00 0.00 176.91 176.07 1bxl n SER 2 N -3.56 1.14 0.11 1.22 7.64 -1.26 -4.19 113.62 114.73 1bxl n SER 2 Ca -0.04 0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.91 1bxl n SER 2 Cb 0.90 0.01 0.12 0.00 -1.01 0.00 0.00 64.21 64.23 1bxl n SER 2 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1bxl h GLN 3 N 0.01 0.07 0.00 1.43 4.15 -1.92 -2.94 115.11 115.91 1bxl h GLN 3 Ca -0.47 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 58.88 1bxl h GLN 3 Cb 2.06 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.76 1bxl h GLN 3 CO 0.02 0.71 -0.11 1.03 -1.93 0.00 0.00 178.83 178.55 1bxl h SER 4 N 0.05 0.00 0.50 -0.69 0.87 -1.48 -2.88 113.55 109.92 1bxl h SER 4 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1bxl h SER 4 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1bxl h SER 4 CO 0.09 0.11 -0.36 0.78 -0.53 0.00 0.00 176.83 176.92 1bxl h ASN 5 N 0.00 -0.94 0.11 6.23 4.21 -1.68 -0.54 115.58 122.97 1bxl h ASN 5 Ca -0.00 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1bxl h ASN 5 Cb 0.21 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1bxl h ASN 5 CO 0.01 -0.54 0.00 -0.09 -1.29 0.00 0.00 177.43 175.52 1bxl h ARG 6 N -0.84 0.00 0.03 0.81 2.43 -1.66 -1.28 114.38 113.87 1bxl h ARG 6 Ca -0.05 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1bxl h ARG 6 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1bxl h ARG 6 CO 0.02 0.00 -0.99 1.49 -1.51 0.00 0.00 179.97 178.98 1bxl h GLU 7 N 0.00 0.15 -0.10 0.20 4.57 -0.95 -2.34 114.58 116.10 1bxl h GLU 7 Ca 0.00 -0.20 -0.20 0.00 -1.18 0.00 0.00 59.36 57.77 1bxl h GLU 7 Cb 0.06 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1bxl h GLU 7 CO 0.00 1.02 -0.74 -0.07 -1.18 0.00 0.00 179.01 178.04 1bxl h LEU 8 N 0.06 0.83 -0.32 1.64 3.38 -0.18 -2.20 115.31 118.53 1bxl h LEU 8 Ca -0.05 -0.66 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 1bxl h LEU 8 Cb 1.68 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1bxl h LEU 8 CO 0.15 1.36 -0.18 0.58 0.09 0.00 0.00 178.44 180.44 1bxl h VAL 9 N 0.36 1.29 -0.37 1.22 2.07 -1.57 -1.93 116.25 117.32 1bxl h VAL 9 Ca -0.06 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1bxl h VAL 9 Cb 1.38 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1bxl h VAL 9 CO 0.15 0.42 -0.09 0.58 0.02 0.00 0.00 177.57 178.65 1bxl h VAL 10 N 0.45 1.24 -0.01 2.57 2.07 -1.47 -2.61 116.25 118.49 1bxl h VAL 10 Ca 0.07 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1bxl h VAL 10 Cb 0.71 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1bxl h VAL 10 CO 0.05 0.35 -0.68 -0.78 0.02 0.00 0.00 177.57 176.54 1bxl h ASP 11 N 0.58 0.06 -0.38 0.57 3.58 -1.29 -2.05 116.42 117.49 1bxl h ASP 11 Ca 0.11 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 1bxl h ASP 11 Cb 0.50 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1bxl h ASP 11 CO 0.03 0.72 -0.29 0.15 -2.88 0.00 0.00 179.24 176.97 1bxl h PHE 12 N 0.03 1.06 0.00 0.28 3.04 -1.01 -2.75 116.94 117.60 1bxl h PHE 12 Ca -0.01 -0.28 -0.12 0.00 3.98 0.00 0.00 57.97 61.54 1bxl h PHE 12 Cb 1.20 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1bxl h PHE 12 CO 0.01 1.08 -0.56 -0.07 -2.02 0.00 0.00 178.31 176.75 1bxl h LEU 13 N 0.77 0.00 -0.21 0.59 3.38 -1.43 -1.98 115.31 116.43 1bxl h LEU 13 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1bxl h LEU 13 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1bxl h LEU 13 CO 0.08 0.56 -0.01 -1.28 0.09 0.00 0.00 178.44 177.87 1bxl h SER 14 N 0.00 0.37 1.00 -0.43 0.87 -1.20 -2.51 113.55 111.65 1bxl h SER 14 Ca -0.01 -0.33 -0.16 0.00 -1.23 0.00 0.00 61.79 60.07 1bxl h SER 14 Cb 1.33 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1bxl h SER 14 CO 0.07 0.61 -0.76 0.22 -0.53 0.00 0.00 176.83 176.44 1bxl h TYR 15 N 0.12 0.00 0.80 2.24 3.20 -1.54 -2.52 116.97 119.27 1bxl h TYR 15 Ca 0.06 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1bxl h TYR 15 Cb 0.43 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.70 1bxl h TYR 15 CO 0.04 0.76 -0.38 0.87 -1.64 0.00 0.00 178.16 177.81 1bxl h LYS 16 N 0.00 -1.03 -0.87 1.82 1.79 -1.24 -1.49 116.57 115.55 1bxl h LYS 16 Ca -0.01 0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1bxl h LYS 16 Cb 1.47 0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 32.31 1bxl h LYS 16 CO 0.10 -0.69 0.42 -0.07 -1.08 0.00 0.00 179.45 178.14 1bxl h LEU 17 N -1.11 1.12 -1.99 2.94 3.38 -1.57 -1.58 115.31 116.50 1bxl h LEU 17 Ca -0.11 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 57.88 1bxl h LEU 17 Cb 0.82 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1bxl h LEU 17 CO 0.18 0.94 0.37 -1.28 0.09 0.00 0.00 178.44 178.74 1bxl h SER 18 N 1.23 0.01 0.51 -0.43 0.87 -1.34 -2.49 113.55 111.90 1bxl h SER 18 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1bxl h SER 18 Cb 0.11 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1bxl h SER 18 CO -0.04 0.00 -0.29 -0.61 -0.53 0.00 0.00 176.83 175.36 1bxl h GLN 19 N 0.01 -0.72 0.00 2.24 4.15 -0.21 -3.33 115.11 117.24 1bxl h GLN 19 Ca 0.24 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1bxl h GLN 19 Cb 0.97 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1bxl h GLN 19 CO -0.00 -0.48 0.00 1.63 -1.93 0.00 0.00 178.83 178.05 1bxl n LYS 20 N -4.19 0.00 0.00 1.69 4.76 -0.97 -4.90 118.16 114.55 1bxl n LYS 20 Ca -0.09 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1bxl n LYS 20 Cb 0.31 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1bxl n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bxl n GLY 21 N -0.76 0.00 3.18 0.72 0.00 -1.04 -5.15 105.19 102.14 1bxl n GLY 21 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1bxl n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxl s TYR 22 N 0.00 1.11 0.46 1.61 2.02 -1.08 -5.03 117.35 116.43 1bxl s TYR 22 Ca 0.00 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1bxl s TYR 22 Cb 0.00 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1bxl s TYR 22 CO 0.00 0.02 0.75 -1.12 -1.57 0.00 0.00 175.55 173.63 1bxl s SER 23 N -2.30 6.26 -0.21 2.29 0.01 -1.26 -3.42 113.70 115.08 1bxl s SER 23 Ca 0.04 0.85 -0.13 0.00 1.31 0.00 0.00 55.95 58.02 1bxl s SER 23 Cb -0.05 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.89 1bxl s SER 23 CO 0.01 -0.54 -0.31 1.87 0.41 0.00 0.00 173.24 174.69 1bxl n TRP 24 N -2.19 0.00 0.32 2.43 -0.00 -1.26 -4.41 117.44 112.34 1bxl n TRP 24 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.69 1bxl n TRP 24 Cb 0.55 -0.71 1.05 0.00 -0.00 0.00 0.00 31.31 32.20 1bxl n TRP 24 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1bxl h SER 25 N -0.86 0.00 -0.98 5.87 0.87 -1.97 -2.14 113.55 114.35 1bxl h SER 25 Ca -0.40 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1bxl h SER 25 Cb 1.30 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.17 1bxl h SER 25 CO -0.24 0.00 0.61 1.56 -0.53 0.00 0.00 176.83 178.23 1bxl h GLN 26 N 0.00 0.66 0.00 2.24 4.20 -1.98 -2.93 115.11 117.30 1bxl h GLN 26 Ca 0.01 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1bxl h GLN 26 Cb 0.25 -0.15 -0.23 0.00 0.30 0.00 0.00 27.48 27.66 1bxl h GLN 26 CO -0.00 0.44 -0.79 1.97 -0.67 0.00 0.00 178.83 179.78 1bxl n PHE 27 N -4.67 0.00 -3.69 2.96 1.16 -0.85 -4.87 117.46 107.49 1bxl n PHE 27 Ca 0.22 -0.72 -0.16 0.00 -1.87 0.00 0.00 57.45 54.92 1bxl n PHE 27 Cb 0.59 -0.16 -0.16 0.00 -1.61 0.00 0.00 39.48 38.14 1bxl n PHE 27 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1bxl s SER 28 N -2.24 0.52 -1.38 5.98 0.01 -0.92 -4.10 113.70 111.58 1bxl s SER 28 Ca 0.31 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1bxl s SER 28 Cb 0.33 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1bxl s SER 28 CO -0.11 -0.21 0.00 -0.67 0.41 0.00 0.00 173.24 172.65 1bxl n ASP 29 N 4.96 -4.59 0.04 2.44 -0.08 -1.26 -4.37 116.55 113.68 1bxl n ASP 29 Ca -0.12 0.15 0.18 0.00 -1.51 0.00 0.00 54.79 53.50 1bxl n ASP 29 Cb 0.50 -3.90 0.68 0.00 2.34 0.00 0.00 41.12 40.74 1bxl n ASP 29 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1bxl h VAL 30 N 0.00 0.77 -2.13 5.18 -1.51 -1.88 -3.41 116.25 113.28 1bxl h VAL 30 Ca -0.36 -0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.51 1bxl h VAL 30 Cb 1.24 0.77 0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1bxl h VAL 30 CO 0.44 0.00 1.06 -0.62 -1.23 0.00 0.00 177.57 177.22 1bxl n GLU 31 N -4.40 2.27 0.00 5.19 1.02 -1.26 -4.95 120.64 118.51 1bxl n GLU 31 Ca 0.08 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1bxl n GLU 31 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1bxl n GLU 31 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bxl n GLU 32 N 6.09 1.04 -2.42 3.49 2.13 -1.26 -4.77 120.64 124.94 1bxl n GLU 32 Ca 0.21 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 1bxl n GLU 32 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 1bxl n GLU 32 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1bxl n ASN 33 N 0.00 -5.87 -4.27 4.31 5.15 -1.26 -5.06 115.26 108.26 1bxl n ASN 33 Ca 0.00 0.25 -0.20 0.00 -0.60 0.00 0.00 54.58 54.03 1bxl n ASN 33 Cb 0.00 -3.86 0.01 0.00 -0.53 0.00 0.00 39.78 35.40 1bxl n ASN 33 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1bxl n ARG 34 N -0.66 0.82 -0.06 1.20 0.63 -1.26 -5.06 116.66 112.27 1bxl n ARG 34 Ca 0.06 -2.69 -0.04 0.00 -0.92 0.00 0.00 57.85 54.26 1bxl n ARG 34 Cb 0.35 0.21 -0.13 0.00 0.45 0.00 0.00 32.46 33.34 1bxl n ARG 34 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1bxl n THR 35 N -1.60 0.83 0.00 5.15 -1.04 -1.26 -5.00 114.28 111.36 1bxl n THR 35 Ca 0.01 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1bxl n THR 35 Cb 0.49 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1bxl n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bxl n GLU 36 N -2.47 0.00 -0.94 -2.82 1.02 -1.26 -4.90 120.64 109.27 1bxl n GLU 36 Ca -0.20 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.05 1bxl n GLU 36 Cb 0.88 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.24 1bxl n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxl n ALA 37 N 0.00 -2.46 -0.01 0.62 0.00 -1.26 -4.68 120.51 112.73 1bxl n ALA 37 Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1bxl n ALA 37 Cb 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1bxl n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bxl h PRO 38 N -0.92 -0.03 0.00 0.00 0.13 -1.99 -3.47 132.00 125.72 1bxl h PRO 38 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1bxl h PRO 38 Cb 0.89 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1bxl h PRO 38 CO 0.05 0.52 0.00 -0.85 -0.23 0.00 0.00 178.00 177.49 1bxl n GLU 39 N -4.83 0.00 -0.54 0.86 0.28 -1.26 -5.12 120.64 110.02 1bxl n GLU 39 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1bxl n GLU 39 Cb 0.29 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.16 1bxl n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bxl n GLY 40 N -0.58 -0.94 0.04 -1.84 0.00 -1.26 -5.04 105.19 95.56 1bxl n GLY 40 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1bxl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bxl n THR 41 N 1.03 0.52 -0.10 2.61 -2.24 -1.26 -4.59 114.28 110.26 1bxl n THR 41 Ca 0.00 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1bxl n THR 41 Cb 0.00 -0.80 0.11 0.00 -2.10 0.00 0.00 70.33 67.54 1bxl n THR 41 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1bxl h GLU 42 N 0.00 0.79 0.00 -0.78 3.07 -1.99 -2.25 114.58 113.42 1bxl h GLU 42 Ca -0.21 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1bxl h GLU 42 Cb 1.46 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1bxl h GLU 42 CO 0.01 0.89 0.00 -1.13 -1.40 0.00 0.00 179.01 177.38 1bxl n SER 43 N -4.14 0.55 0.00 1.42 3.41 -1.26 -1.88 113.62 111.72 1bxl n SER 43 Ca 0.01 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1bxl n SER 43 Cb 0.39 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1bxl n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bxl n GLU 44 N -2.18 0.00 0.13 4.33 -0.58 -0.85 -0.93 120.64 120.58 1bxl n GLU 44 Ca 0.00 0.17 -0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1bxl n GLU 44 Cb 0.12 -1.10 0.16 0.00 -0.57 0.00 0.00 31.44 30.05 1bxl n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bxl h ALA 85 N -1.97 0.94 0.20 0.62 0.00 -1.75 -2.61 119.26 114.69 1bxl h ALA 85 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1bxl h ALA 85 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bxl h ALA 85 CO 0.00 0.79 -0.10 0.28 0.00 0.00 0.00 179.25 180.22 1bxl h VAL 86 N 0.00 0.00 -0.96 0.00 2.07 -1.44 -2.53 116.25 113.39 1bxl h VAL 86 Ca -0.01 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.66 1bxl h VAL 86 Cb 1.13 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1bxl h VAL 86 CO 0.08 0.00 0.63 0.50 0.02 0.00 0.00 177.57 178.80 1bxl h LYS 87 N -0.35 0.40 0.29 1.57 1.63 -1.14 -0.93 116.57 118.03 1bxl h LYS 87 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1bxl h LYS 87 Cb 0.20 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1bxl h LYS 87 CO 0.04 0.26 -0.30 0.37 -3.45 0.00 0.00 179.45 176.37 1bxl h GLN 88 N 0.41 -0.61 0.00 1.90 4.15 -1.40 -0.65 115.11 118.91 1bxl h GLN 88 Ca 0.52 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1bxl h GLN 88 Cb 1.30 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.12 1bxl h GLN 88 CO -0.22 -0.40 0.00 0.00 -1.93 0.00 0.00 178.83 176.28 1bxl h ALA 89 N -0.06 1.00 0.00 3.38 0.00 -0.76 -1.86 119.26 120.96 1bxl h ALA 89 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bxl h ALA 89 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1bxl h ALA 89 CO -0.07 0.00 -0.42 -0.07 0.00 0.00 0.00 179.25 178.69 1bxl h LEU 90 N 0.00 0.00 0.09 0.00 4.07 -0.20 -1.72 115.31 117.56 1bxl h LEU 90 Ca 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 1bxl h LEU 90 Cb 0.26 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1bxl h LEU 90 CO 0.00 0.31 -0.75 -0.09 -1.08 0.00 0.00 178.44 176.83 1bxl h ARG 91 N 0.00 0.19 -0.03 1.13 9.65 -0.34 -1.63 114.38 123.35 1bxl h ARG 91 Ca -0.01 -0.33 -0.16 0.00 -1.10 0.00 0.00 59.98 58.37 1bxl h ARG 91 Cb 1.25 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.94 1bxl h ARG 91 CO 0.04 1.16 -0.71 0.93 2.80 0.00 0.00 179.97 184.19 1bxl h GLU 92 N -0.56 0.16 0.00 0.20 4.39 -1.61 -2.27 114.58 114.89 1bxl h GLU 92 Ca -0.15 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.28 1bxl h GLU 92 Cb 1.48 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1bxl h GLU 92 CO 0.07 0.80 -0.64 0.00 -1.16 0.00 0.00 179.01 178.08 1bxl h ALA 93 N 1.16 0.63 0.09 3.43 0.00 -1.42 -2.39 119.26 120.76 1bxl h ALA 93 Ca -0.02 -0.58 -0.25 0.00 0.00 0.00 0.00 54.91 54.06 1bxl h ALA 93 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bxl h ALA 93 CO 0.10 0.80 -1.15 0.78 0.00 0.00 0.00 179.25 179.79 1bxl h GLY 94 N 3.10 0.25 2.00 0.00 0.00 -1.19 -2.05 103.07 105.19 1bxl h GLY 94 Ca -0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.52 1bxl h GLY 94 CO 0.08 0.54 -0.90 -1.80 0.00 0.00 0.00 176.54 174.46 1bxl h ASP 95 N 0.07 0.00 0.78 0.19 3.58 -1.44 -2.58 116.42 117.01 1bxl h ASP 95 Ca -0.10 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.10 1bxl h ASP 95 Cb 1.87 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 1bxl h ASP 95 CO 0.18 0.90 -1.16 -0.08 -2.88 0.00 0.00 179.24 176.20 1bxl h GLU 96 N 0.00 0.16 -0.21 0.28 4.81 -1.48 -2.44 114.58 115.70 1bxl h GLU 96 Ca -0.01 -0.27 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1bxl h GLU 96 Cb 1.64 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1bxl h GLU 96 CO 0.12 1.12 -0.64 0.35 -0.73 0.00 0.00 179.01 179.23 1bxl h PHE 97 N 0.04 0.95 -0.16 0.92 3.57 -1.40 -2.26 116.94 118.59 1bxl h PHE 97 Ca -0.09 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 1bxl h PHE 97 Cb 1.89 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 1bxl h PHE 97 CO 0.04 1.17 -0.08 0.93 -2.23 0.00 0.00 178.31 178.14 1bxl h GLU 98 N 0.54 0.34 -0.53 1.11 5.08 -1.52 -0.85 114.58 118.75 1bxl h GLU 98 Ca -0.01 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1bxl h GLU 98 Cb 1.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1bxl h GLU 98 CO 0.13 0.66 0.35 1.25 -1.00 0.00 0.00 179.01 180.40 1bxl h LEU 99 N 0.01 0.56 0.00 1.33 6.46 -1.44 -1.05 115.31 121.18 1bxl h LEU 99 Ca 0.04 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1bxl h LEU 99 Cb 0.56 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1bxl h LEU 99 CO 0.02 0.39 -0.18 0.03 -0.62 0.00 0.00 178.44 178.09 1bxl h ARG 100 N 0.65 0.00 -0.06 1.25 2.47 -1.20 -2.01 114.38 115.47 1bxl h ARG 100 Ca 0.20 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1bxl h ARG 100 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1bxl h ARG 100 CO -0.05 0.10 -0.27 -0.92 0.56 0.00 0.00 179.97 179.40 1bxl h TYR 101 N 0.00 0.39 0.08 3.04 3.20 0.18 -1.64 116.97 122.22 1bxl h TYR 101 Ca -0.00 -0.17 -0.25 0.00 3.14 0.00 0.00 58.73 61.45 1bxl h TYR 101 Cb 1.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1bxl h TYR 101 CO 0.00 0.89 -1.12 0.00 -1.64 0.00 0.00 178.16 176.29 1bxl h ARG 102 N -0.22 0.31 0.00 1.82 3.08 -1.35 -0.79 114.38 117.24 1bxl h ARG 102 Ca -0.02 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1bxl h ARG 102 Cb 0.91 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1bxl h ARG 102 CO 0.06 1.16 0.00 -2.13 -1.07 0.00 0.00 179.97 177.99 1bxl n ARG 103 N -3.61 0.13 -0.00 0.04 0.63 -0.76 -3.05 116.66 110.04 1bxl n ARG 103 Ca -0.08 0.34 0.03 0.00 -0.92 0.00 0.00 57.85 57.22 1bxl n ARG 103 Cb 0.94 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 32.08 1bxl n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bxl n ALA 104 N -1.68 2.40 -0.34 5.13 0.00 -0.62 -4.99 120.51 120.41 1bxl n ALA 104 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bxl n ALA 104 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1bxl n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bxl n PHE 105 N -1.52 -1.01 -3.22 0.00 3.72 -0.36 -5.06 117.46 110.02 1bxl n PHE 105 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1bxl n PHE 105 Cb 0.13 0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1bxl n PHE 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1bxl n SER 106 N -1.99 0.00 -4.79 4.37 2.88 -0.87 -4.90 113.62 108.32 1bxl n SER 106 Ca 0.00 -0.32 -0.29 0.00 -1.33 0.00 0.00 58.87 56.93 1bxl n SER 106 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 1bxl n SER 106 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bxl s ASP 107 N 1.05 4.23 -0.10 -3.46 1.11 -1.26 -2.91 116.67 115.32 1bxl s ASP 107 Ca 0.00 0.73 -0.10 0.00 0.18 0.00 0.00 52.55 53.36 1bxl s ASP 107 Cb 0.00 -1.17 -0.03 0.00 1.07 0.00 0.00 42.92 42.79 1bxl s ASP 107 CO 0.00 -2.08 -0.19 0.18 1.18 0.00 0.00 175.17 174.26 1bxl n LEU 108 N -3.42 1.09 0.22 1.23 4.32 -1.26 -4.34 117.00 114.85 1bxl n LEU 108 Ca 0.09 0.18 0.05 0.00 -0.02 0.00 0.00 56.01 56.32 1bxl n LEU 108 Cb 0.61 -0.63 0.50 0.00 -1.62 0.00 0.00 43.42 42.28 1bxl n LEU 108 CO 0.56 -0.38 0.90 0.71 -1.22 0.00 0.00 177.39 177.96 1bxl h THR 109 N -0.55 1.12 -0.68 -5.08 1.35 -1.92 -1.59 112.91 105.57 1bxl h THR 109 Ca 0.00 -0.63 0.12 0.00 -0.55 0.00 0.00 66.41 65.35 1bxl h THR 109 Cb 0.55 1.34 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1bxl h THR 109 CO 0.00 0.18 0.46 -1.28 -0.25 0.00 0.00 175.52 174.62 1bxl h SER 110 N 0.00 0.40 0.94 5.36 0.87 -1.99 0.98 113.55 120.11 1bxl h SER 110 Ca -0.00 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 1bxl h SER 110 Cb 0.32 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1bxl h SER 110 CO 0.02 0.22 -1.12 -0.61 -0.53 0.00 0.00 176.83 174.82 1bxl h GLN 111 N 0.43 0.00 -7.69 2.24 5.75 -1.49 -3.46 115.11 110.89 1bxl h GLN 111 Ca 0.32 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.37 1bxl h GLN 111 Cb 0.67 0.00 0.14 0.00 1.07 0.00 0.00 27.48 29.37 1bxl h GLN 111 CO -0.10 0.72 0.38 -0.51 -2.65 0.00 0.00 178.83 176.68 1bxl s LEU 112 N -6.43 2.40 -0.07 -2.39 1.43 0.34 -5.02 118.68 108.94 1bxl s LEU 112 Ca -0.00 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1bxl s LEU 112 Cb 0.09 -2.72 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 1bxl s LEU 112 CO 0.81 -2.58 -0.03 1.41 0.23 0.00 0.00 176.35 176.19 1bxl n HIS 113 N -3.71 0.00 -1.38 0.29 8.25 -1.26 -4.94 115.22 112.47 1bxl n HIS 113 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1bxl n HIS 113 Cb 0.60 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1bxl n HIS 113 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1bxl n ILE 114 N -2.53 -4.64 0.00 1.59 2.08 -1.26 -5.08 119.36 109.52 1bxl n ILE 114 Ca -0.12 2.03 0.00 0.00 0.56 0.00 0.00 62.75 65.21 1bxl n ILE 114 Cb 0.67 -2.82 0.00 0.00 -0.75 0.00 0.00 39.64 36.74 1bxl n ILE 114 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1bxl n THR 115 N -0.35 0.00 -2.27 1.39 -2.24 -1.26 -4.98 114.28 104.57 1bxl n THR 115 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1bxl n THR 115 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1bxl n THR 115 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1bxl s PRO 116 N -1.82 3.07 0.00 -0.78 0.04 -1.26 -2.41 135.00 131.85 1bxl s PRO 116 Ca 0.00 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1bxl s PRO 116 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1bxl s PRO 116 CO 0.00 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.30 1bxl n GLY 117 N 6.05 2.02 0.85 0.56 0.00 -1.26 -4.95 105.19 108.46 1bxl n GLY 117 Ca 0.43 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1bxl n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bxl n THR 118 N 0.00 1.19 -0.08 2.61 -2.24 -1.18 -4.80 114.28 109.78 1bxl n THR 118 Ca 0.00 -2.05 -0.20 0.00 -2.27 0.00 0.00 64.05 59.52 1bxl n THR 118 Cb 0.00 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.38 1bxl n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bxl h ALA 119 N 0.80 0.22 -0.53 6.98 0.00 -1.84 -3.28 119.26 121.60 1bxl h ALA 119 Ca -0.08 -1.08 0.12 0.00 0.00 0.00 0.00 54.91 53.86 1bxl h ALA 119 Cb 1.36 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1bxl h ALA 119 CO 0.04 0.62 0.37 0.10 0.00 0.00 0.00 179.25 180.37 1bxl h TYR 120 N -0.89 0.21 -0.54 0.00 -0.00 -1.87 -0.13 116.97 113.76 1bxl h TYR 120 Ca -0.29 0.01 -0.09 0.00 -0.00 0.00 0.00 58.73 58.35 1bxl h TYR 120 Cb 1.33 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 37.97 1bxl h TYR 120 CO 0.13 0.09 -0.04 0.37 -0.00 0.00 0.00 178.16 178.72 1bxl h GLN 121 N 0.19 0.97 0.48 0.10 -0.00 -1.89 -1.03 115.11 113.93 1bxl h GLN 121 Ca 0.25 -0.33 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1bxl h GLN 121 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.14 1bxl h GLN 121 CO -0.04 1.00 -0.26 0.77 0.00 0.00 0.00 178.83 180.30 1bxl h SER 122 N 0.85 -0.63 0.18 -0.69 0.02 -1.08 -1.14 113.55 111.07 1bxl h SER 122 Ca 0.15 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1bxl h SER 122 Cb 0.58 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1bxl h SER 122 CO 0.03 -0.42 -0.02 0.15 -1.14 0.00 0.00 176.83 175.43 1bxl h PHE 123 N -0.68 0.00 -0.07 3.45 3.57 -1.44 -1.25 116.94 120.52 1bxl h PHE 123 Ca -0.06 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1bxl h PHE 123 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1bxl h PHE 123 CO -0.07 0.02 -0.66 1.49 -2.23 0.00 0.00 178.31 176.87 1bxl h GLU 124 N 0.00 0.28 -0.12 1.11 4.22 0.01 -2.02 114.58 118.06 1bxl h GLU 124 Ca -0.00 -0.21 -0.18 0.00 0.08 0.00 0.00 59.36 59.05 1bxl h GLU 124 Cb 0.12 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1bxl h GLU 124 CO 0.00 0.84 -0.64 1.96 -2.18 0.00 0.00 179.01 178.99 1bxl h GLN 125 N 0.20 0.65 -0.04 1.92 4.20 -0.37 -2.79 115.11 118.87 1bxl h GLN 125 Ca -0.01 -0.54 -0.08 0.00 0.06 0.00 0.00 58.65 58.07 1bxl h GLN 125 Cb 1.19 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1bxl h GLN 125 CO 0.10 1.16 -0.36 0.28 -0.67 0.00 0.00 178.83 179.34 1bxl h VAL 126 N 0.32 1.27 0.46 -0.54 2.07 -1.48 -2.36 116.25 115.98 1bxl h VAL 126 Ca -0.05 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1bxl h VAL 126 Cb 1.28 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1bxl h VAL 126 CO 0.13 0.38 -0.22 0.58 0.02 0.00 0.00 177.57 178.46 1bxl h VAL 127 N 0.07 0.44 -0.78 2.57 2.07 -1.30 -2.78 116.25 116.55 1bxl h VAL 127 Ca 0.01 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.20 1bxl h VAL 127 Cb 0.67 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1bxl h VAL 127 CO 0.05 0.06 0.51 -1.13 0.02 0.00 0.00 177.57 177.09 1bxl h ASN 128 N -0.91 0.62 0.35 0.57 -1.24 -1.46 -2.38 115.58 111.13 1bxl h ASN 128 Ca -0.06 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1bxl h ASN 128 Cb 0.58 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1bxl h ASN 128 CO 0.10 0.36 -0.44 -0.33 -1.29 0.00 0.00 177.43 175.84 1bxl h GLU 129 N 0.68 -0.78 -0.22 6.67 3.07 -1.26 -2.85 114.58 119.90 1bxl h GLU 129 Ca 0.37 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.34 1bxl h GLU 129 Cb 0.50 0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 1bxl h GLU 129 CO -0.14 -0.52 -0.22 -0.07 -1.40 0.00 0.00 179.01 176.66 1bxl h LEU 130 N -0.81 -0.70 -8.48 1.33 4.07 -1.18 -3.35 115.31 106.18 1bxl h LEU 130 Ca -0.04 0.13 -0.35 0.00 0.08 0.00 0.00 57.88 57.70 1bxl h LEU 130 Cb 0.72 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1bxl h LEU 130 CO -0.10 -0.26 1.12 -0.36 -1.08 0.00 0.00 178.44 177.76 1bxl s PHE 131 N -6.10 1.28 -0.05 1.13 0.40 -0.93 -4.74 117.98 108.97 1bxl s PHE 131 Ca -0.15 1.42 0.12 0.00 -0.60 0.00 0.00 56.93 57.73 1bxl s PHE 131 Cb 0.12 -3.70 -0.08 0.00 0.51 0.00 0.00 43.02 39.87 1bxl s PHE 131 CO 0.68 -2.19 1.23 0.00 0.70 0.00 0.00 175.22 175.64 1bxl h ARG 132 N 16.27 0.00 0.00 0.44 2.47 -1.77 -3.45 114.38 128.33 1bxl h ARG 132 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1bxl h ARG 132 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1bxl h ARG 132 CO 1.14 0.63 0.00 -3.47 0.56 0.00 0.00 179.97 178.83 1bxl n ASP 133 N -3.20 0.00 0.00 7.04 -0.08 -1.26 -5.13 116.55 113.92 1bxl n ASP 133 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1bxl n ASP 133 Cb 0.85 0.22 0.00 0.00 2.34 0.00 0.00 41.12 44.52 1bxl n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bxl n GLY 134 N -1.49 3.93 2.57 0.27 0.00 -1.26 -5.12 105.19 104.09 1bxl n GLY 134 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1bxl n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxl s VAL 135 N 3.03 0.06 -0.04 1.61 1.01 -1.26 -4.76 120.40 120.04 1bxl s VAL 135 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1bxl s VAL 135 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1bxl s VAL 135 CO 0.00 -0.67 0.10 0.21 0.00 0.00 0.00 175.10 174.73 1bxl s ASN 136 N 2.04 5.86 0.99 3.32 3.84 -1.26 -5.08 114.94 124.65 1bxl s ASN 136 Ca 0.08 0.25 -0.13 0.00 0.21 0.00 0.00 52.86 53.27 1bxl s ASN 136 Cb -0.16 -1.75 0.09 0.00 -0.55 0.00 0.00 41.25 38.87 1bxl s ASN 136 CO -0.33 0.32 0.55 0.79 -2.79 0.00 0.00 177.10 175.64 1bxl n TRP 137 N 1.49 -0.94 0.00 0.43 5.03 -1.26 -3.31 117.44 118.87 1bxl n TRP 137 Ca -0.15 0.23 0.00 0.00 3.03 0.00 0.00 57.50 60.60 1bxl n TRP 137 Cb 0.53 -1.79 0.00 0.00 -1.03 0.00 0.00 31.31 29.02 1bxl n TRP 137 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1bxl n GLY 138 N 1.28 2.80 0.24 6.99 0.00 -1.26 -4.72 105.19 110.52 1bxl n GLY 138 Ca 0.07 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.50 1bxl n GLY 138 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bxl h ARG 139 N 0.00 0.00 -0.28 1.61 3.08 -1.96 -2.55 114.38 114.28 1bxl h ARG 139 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1bxl h ARG 139 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1bxl h ARG 139 CO 0.00 0.19 -0.17 0.82 -1.07 0.00 0.00 179.97 179.74 1bxl h ILE 140 N 0.00 1.30 -0.25 2.04 2.04 -1.85 -1.61 117.51 119.19 1bxl h ILE 140 Ca -0.00 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.51 1bxl h ILE 140 Cb 0.51 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1bxl h ILE 140 CO 0.02 0.41 -0.13 0.58 0.00 0.00 0.00 178.15 179.03 1bxl h VAL 141 N 0.35 1.30 0.00 1.67 2.07 -1.90 -2.03 116.25 117.71 1bxl h VAL 141 Ca 0.06 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1bxl h VAL 141 Cb 0.70 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1bxl h VAL 141 CO 0.05 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 177.98 1bxl h ALA 142 N 0.72 1.90 0.00 1.67 0.00 -1.45 -0.60 119.26 121.50 1bxl h ALA 142 Ca 0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1bxl h ALA 142 Cb 0.64 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1bxl h ALA 142 CO 0.04 0.04 -0.73 0.35 0.00 0.00 0.00 179.25 178.95 1bxl h PHE 143 N 0.00 0.00 0.43 0.00 3.57 -0.96 -1.64 116.94 118.34 1bxl h PHE 143 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1bxl h PHE 143 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1bxl h PHE 143 CO 0.00 0.73 -0.21 0.74 -2.23 0.00 0.00 178.31 177.35 1bxl h PHE 144 N 0.00 -0.53 0.00 0.41 0.04 -0.39 -2.55 116.94 113.92 1bxl h PHE 144 Ca -0.01 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1bxl h PHE 144 Cb 1.37 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 1bxl h PHE 144 CO 0.00 -0.21 -0.27 1.03 -0.60 0.00 0.00 178.31 178.26 1bxl h SER 145 N -0.95 0.00 0.51 2.17 0.87 -1.56 -2.72 113.55 111.86 1bxl h SER 145 Ca -0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1bxl h SER 145 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1bxl h SER 145 CO 0.10 0.27 -0.24 0.15 -0.53 0.00 0.00 176.83 176.58 1bxl h PHE 146 N 0.00 -0.63 -0.98 2.24 3.57 -1.25 -1.80 116.94 118.09 1bxl h PHE 146 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1bxl h PHE 146 Cb 0.64 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1bxl h PHE 146 CO 0.00 -0.31 0.64 0.78 -2.23 0.00 0.00 178.31 177.19 1bxl h GLY 147 N -0.90 1.43 1.65 2.40 0.00 -1.44 -0.80 103.07 105.41 1bxl h GLY 147 Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1bxl h GLY 147 CO 0.11 0.43 0.21 -1.33 0.00 0.00 0.00 176.54 175.96 1bxl h GLY 148 N 1.25 0.40 0.73 4.60 0.00 -1.37 -1.99 103.07 106.69 1bxl h GLY 148 Ca 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1bxl h GLY 148 CO -0.12 0.14 -0.05 0.00 0.00 0.00 0.00 176.54 176.51 1bxl h ALA 149 N 1.81 0.17 -0.08 3.60 0.00 -0.25 -2.40 119.26 122.12 1bxl h ALA 149 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bxl h ALA 149 Cb 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bxl h ALA 149 CO -0.03 -0.06 0.06 -0.07 0.00 0.00 0.00 179.25 179.16 1bxl h LEU 150 N -0.08 0.00 -0.34 0.00 4.07 -1.07 -1.36 115.31 116.53 1bxl h LEU 150 Ca 0.03 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 1bxl h LEU 150 Cb 0.50 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1bxl h LEU 150 CO 0.02 0.00 -0.56 0.00 -1.08 0.00 0.00 178.44 176.82 1bxl h VAL 152 N 0.61 0.00 -0.25 0.00 2.07 -0.76 -2.48 116.25 115.44 1bxl h VAL 152 Ca 0.01 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1bxl h VAL 152 Cb 1.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1bxl h VAL 152 CO 0.12 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 177.89 1bxl h GLU 153 N -0.62 0.00 0.14 1.57 4.81 -1.57 -1.76 114.58 117.16 1bxl h GLU 153 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1bxl h GLU 153 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1bxl h GLU 153 CO 0.09 0.00 -0.07 0.77 -0.73 0.00 0.00 179.01 179.07 1bxl h SER 154 N 0.00 -0.15 -0.72 1.04 0.02 -0.95 -1.05 113.55 111.74 1bxl h SER 154 Ca 0.12 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1bxl h SER 154 Cb 0.64 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1bxl h SER 154 CO -0.00 -0.01 0.30 0.58 -1.14 0.00 0.00 176.83 176.56 1bxl h VAL 155 N -0.30 1.24 0.00 2.27 2.07 -0.88 -0.87 116.25 119.79 1bxl h VAL 155 Ca -0.02 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1bxl h VAL 155 Cb 0.24 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1bxl h VAL 155 CO 0.03 0.31 -0.10 -0.78 0.02 0.00 0.00 177.57 177.05 1bxl h ASP 156 N 1.06 0.00 -0.73 0.57 1.82 -1.21 -1.92 116.42 116.01 1bxl h ASP 156 Ca 0.25 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.59 1bxl h ASP 156 Cb 0.19 0.00 -0.18 0.00 0.68 0.00 0.00 39.33 40.02 1bxl h ASP 156 CO -0.02 0.10 0.38 1.17 -1.61 0.00 0.00 179.24 179.26 1bxl n LYS 157 N -3.55 2.75 -3.63 0.28 4.81 -0.42 -4.89 118.16 113.51 1bxl n LYS 157 Ca -0.02 -2.57 -0.21 0.00 -0.87 0.00 0.00 58.31 54.64 1bxl n LYS 157 Cb 0.24 -2.04 0.04 0.00 0.02 0.00 0.00 35.03 33.29 1bxl n LYS 157 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1bxl n GLU 158 N -0.44 -4.48 -2.86 1.64 1.02 -0.72 -4.92 120.64 109.88 1bxl n GLU 158 Ca 0.42 0.65 -0.20 0.00 -0.02 0.00 0.00 57.16 58.01 1bxl n GLU 158 Cb 1.35 -5.20 -0.01 0.00 -0.02 0.00 0.00 31.44 27.56 1bxl n GLU 158 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1bxl n MET 159 N -4.16 2.11 -0.11 3.49 2.81 -0.44 -4.91 117.12 115.92 1bxl n MET 159 Ca -0.26 -3.97 -0.06 0.00 -1.81 0.00 0.00 57.70 51.60 1bxl n MET 159 Cb 0.66 -1.85 0.02 0.00 -0.71 0.00 0.00 33.22 31.35 1bxl n MET 159 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1bxl h GLN 160 N 2.91 0.28 -0.28 0.03 4.20 -1.87 0.12 115.11 120.49 1bxl h GLN 160 Ca 0.10 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1bxl h GLN 160 Cb 0.88 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1bxl h GLN 160 CO 0.65 0.18 0.19 -0.24 -0.67 0.00 0.00 178.83 178.95 1bxl h VAL 161 N 0.29 0.96 -0.50 -0.54 3.04 -1.90 -0.52 116.25 117.07 1bxl h VAL 161 Ca 0.17 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.72 1bxl h VAL 161 Cb 0.15 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 1bxl h VAL 161 CO -0.18 0.04 0.02 0.25 -1.01 0.00 0.00 177.57 176.69 1bxl h LEU 162 N 0.19 0.79 0.54 3.16 7.12 -1.37 -2.54 115.31 123.20 1bxl h LEU 162 Ca 0.12 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 1bxl h LEU 162 Cb 0.25 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1bxl h LEU 162 CO -0.02 0.84 -0.45 0.58 -0.13 0.00 0.00 178.44 179.25 1bxl h VAL 163 N 0.77 0.10 -0.65 1.05 2.07 -0.60 -1.22 116.25 117.78 1bxl h VAL 163 Ca 0.15 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.83 1bxl h VAL 163 Cb 0.43 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1bxl h VAL 163 CO 0.02 0.00 0.45 -1.28 0.02 0.00 0.00 177.57 176.77 1bxl h SER 164 N -0.98 0.19 0.10 0.57 0.87 -1.50 -1.36 113.55 111.44 1bxl h SER 164 Ca -0.06 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1bxl h SER 164 Cb 0.83 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1bxl h SER 164 CO -0.01 0.10 -0.08 0.03 -0.53 0.00 0.00 176.83 176.34 1bxl h ARG 165 N 0.21 -0.18 0.00 2.24 -0.00 -0.80 -1.56 114.38 114.29 1bxl h ARG 165 Ca 0.31 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.80 1bxl h ARG 165 Cb 0.94 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.95 1bxl h ARG 165 CO -0.06 -0.12 -0.00 0.82 0.00 0.00 0.00 179.97 180.61 1bxl h ILE 166 N -0.18 0.01 -0.26 2.04 2.04 -0.71 -2.53 117.51 117.92 1bxl h ILE 166 Ca -0.00 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.29 1bxl h ILE 166 Cb 0.16 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1bxl h ILE 166 CO -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.64 1bxl h ALA 167 N 2.00 0.61 0.00 1.87 0.00 -0.64 -1.56 119.26 121.55 1bxl h ALA 167 Ca -0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1bxl h ALA 167 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1bxl h ALA 167 CO 0.00 0.68 -0.87 0.00 0.00 0.00 0.00 179.25 179.06 1bxl h ALA 168 N 0.86 0.53 0.00 0.00 0.00 -1.10 -2.64 119.26 116.91 1bxl h ALA 168 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1bxl h ALA 168 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bxl h ALA 168 CO 0.11 1.09 -0.50 -1.49 0.00 0.00 0.00 179.25 178.46 1bxl h TRP 169 N 0.00 0.00 0.03 0.00 6.55 -1.36 -1.49 115.95 119.69 1bxl h TRP 169 Ca -0.01 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.76 1bxl h TRP 169 Cb 1.57 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.87 1bxl h TRP 169 CO 0.00 0.50 -0.33 0.52 -1.05 0.00 0.00 178.44 178.07 1bxl h MET 170 N 0.00 0.07 0.00 0.49 2.86 -1.26 -2.52 114.93 114.58 1bxl h MET 170 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1bxl h MET 170 Cb 1.13 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1bxl h MET 170 CO 0.06 1.06 -0.18 0.00 1.06 0.00 0.00 176.91 178.92 1bxl h ALA 171 N -0.03 1.09 0.06 6.32 0.00 -1.54 -2.13 119.26 123.03 1bxl h ALA 171 Ca -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bxl h ALA 171 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bxl h ALA 171 CO 0.02 0.22 -0.03 1.15 0.00 0.00 0.00 179.25 180.60 1bxl h THR 172 N 0.00 0.61 -0.62 0.00 2.02 -1.35 -1.99 112.91 111.58 1bxl h THR 172 Ca -0.00 -1.34 0.14 0.00 0.77 0.00 0.00 66.41 65.98 1bxl h THR 172 Cb 0.60 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1bxl h THR 172 CO 0.02 0.20 0.43 0.22 0.37 0.00 0.00 175.52 176.76 1bxl h TYR 173 N -0.99 0.26 -0.11 3.16 3.20 -1.45 0.28 116.97 121.32 1bxl h TYR 173 Ca -0.01 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1bxl h TYR 173 Cb 0.38 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1bxl h TYR 173 CO 0.09 0.11 -0.80 1.25 -1.64 0.00 0.00 178.16 177.16 1bxl h LEU 174 N 0.23 0.77 -1.87 2.82 6.46 -1.44 -2.51 115.31 119.77 1bxl h LEU 174 Ca 0.30 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1bxl h LEU 174 Cb 0.86 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1bxl h LEU 174 CO -0.06 1.30 0.00 0.59 -0.62 0.00 0.00 178.44 179.65 1bxl n ASN 175 N -3.88 2.74 0.00 1.25 4.13 0.10 -2.07 115.26 117.53 1bxl n ASN 175 Ca -0.07 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.12 1bxl n ASN 175 Cb 0.75 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1bxl n ASN 175 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1bxl n ASP 176 N 0.84 0.00 0.06 6.41 8.00 0.75 -4.62 116.55 127.99 1bxl n ASP 176 Ca 0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.45 1bxl n ASP 176 Cb 0.46 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.41 1bxl n ASP 176 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1bxl h HIS 177 N 0.00 0.60 0.00 1.24 3.86 -1.70 -3.29 115.15 115.85 1bxl h HIS 177 Ca 0.00 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1bxl h HIS 177 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1bxl h HIS 177 CO 0.00 1.44 0.00 1.28 0.86 0.00 0.00 177.93 181.51 1bxl n LEU 178 N -3.97 0.00 0.07 2.43 4.77 -0.97 -3.89 117.00 115.43 1bxl n LEU 178 Ca -0.18 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1bxl n LEU 178 Cb 0.91 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1bxl n LEU 178 CO 0.49 -0.02 0.40 -0.08 -1.33 0.00 0.00 177.39 176.84 1bxl h GLU 179 N 0.00 -0.23 0.00 3.23 4.81 -1.49 -1.96 114.58 118.94 1bxl h GLU 179 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1bxl h GLU 179 Cb 0.30 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1bxl h GLU 179 CO 0.00 0.18 0.00 -0.35 -0.73 0.00 0.00 179.01 178.11 1bxl n PRO 180 N -4.94 0.26 -0.04 0.92 -0.04 -1.25 -2.96 135.00 126.95 1bxl n PRO 180 Ca -0.08 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1bxl n PRO 180 Cb 0.26 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 1bxl n PRO 180 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1bxl n TRP 181 N -1.27 0.00 -0.02 0.54 -0.00 -1.22 -4.22 117.44 111.25 1bxl n TRP 181 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.55 1bxl n TRP 181 Cb 0.13 -0.48 -0.03 0.00 -0.00 0.00 0.00 31.31 30.93 1bxl n TRP 181 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1bxl h ILE 182 N 0.00 0.27 -0.04 5.87 2.04 -1.26 -3.28 117.51 121.10 1bxl h ILE 182 Ca -0.21 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1bxl h ILE 182 Cb 1.32 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1bxl h ILE 182 CO 0.01 0.09 0.13 1.56 0.00 0.00 0.00 178.15 179.94 1bxl h GLN 183 N -1.01 0.00 -0.46 2.37 4.20 -1.78 0.17 115.11 118.60 1bxl h GLN 183 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 1bxl h GLN 183 Cb 0.20 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 1bxl h GLN 183 CO 0.01 0.00 0.05 0.93 -0.67 0.00 0.00 178.83 179.16 1bxl h GLU 184 N 0.00 0.17 -1.32 1.46 5.08 -1.73 -3.32 114.58 114.92 1bxl h GLU 184 Ca 0.02 -0.01 -0.40 0.00 -1.00 0.00 0.00 59.36 57.97 1bxl h GLU 184 Cb 0.29 -0.04 -0.37 0.00 0.50 0.00 0.00 28.75 29.13 1bxl h GLU 184 CO -0.00 0.11 -1.11 0.09 -1.00 0.00 0.00 179.01 177.10 1bxl n ASN 185 N -5.15 0.79 -3.05 1.42 3.02 -0.92 -5.02 115.26 106.35 1bxl n ASN 185 Ca 0.04 -2.88 -0.15 0.00 -0.03 0.00 0.00 54.58 51.57 1bxl n ASN 185 Cb 0.23 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1bxl n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bxl n GLY 186 N 0.08 -1.24 0.20 7.41 0.00 -0.92 -4.69 105.19 106.04 1bxl n GLY 186 Ca 0.15 1.01 0.13 0.00 0.00 0.00 0.00 46.02 47.31 1bxl n GLY 186 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bxl h GLY 187 N 2.33 0.00 0.39 -0.02 0.00 -0.97 -2.08 103.07 102.71 1bxl h GLY 187 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.80 1bxl h GLY 187 CO 0.18 0.00 -2.10 0.79 0.00 0.00 0.00 176.54 175.41 1bxl n TRP 188 N -2.93 0.88 0.09 5.60 5.03 -1.26 -2.21 117.44 122.64 1bxl n TRP 188 Ca 0.04 0.20 -0.03 0.00 3.03 0.00 0.00 57.50 60.74 1bxl n TRP 188 Cb 0.48 -1.11 0.20 0.00 -1.03 0.00 0.00 31.31 29.85 1bxl n TRP 188 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 1bxl h ASP 189 N -0.05 0.25 0.04 -0.99 3.58 -1.92 -2.28 116.42 115.05 1bxl h ASP 189 Ca -0.47 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 56.74 1bxl h ASP 189 Cb 1.94 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.93 1bxl h ASP 189 CO 0.01 0.67 -0.51 0.74 -2.88 0.00 0.00 179.24 177.27 1bxl h THR 190 N 0.19 1.52 -0.32 2.25 2.02 -1.52 -1.98 112.91 115.07 1bxl h THR 190 Ca 0.01 -2.20 0.09 0.00 0.77 0.00 0.00 66.41 65.09 1bxl h THR 190 Cb 0.88 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 1bxl h THR 190 CO 0.07 0.62 0.24 0.15 0.37 0.00 0.00 175.52 176.97 1bxl h PHE 191 N -0.37 0.00 0.00 3.16 3.57 -1.38 0.44 116.94 122.36 1bxl h PHE 191 Ca -0.07 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.21 1bxl h PHE 191 Cb 1.29 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1bxl h PHE 191 CO 0.18 0.00 -1.21 0.28 -2.23 0.00 0.00 178.31 175.33 1bxl h VAL 192 N 0.00 1.17 0.00 1.41 2.07 -1.39 -1.43 116.25 118.09 1bxl h VAL 192 Ca 0.15 -2.86 -0.07 0.00 0.82 0.00 0.00 66.70 64.74 1bxl h VAL 192 Cb 0.63 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1bxl h VAL 192 CO -0.00 0.67 -0.33 -0.08 0.02 0.00 0.00 177.57 177.85 1bxl h GLU 193 N 0.00 0.00 0.00 1.57 4.81 -0.14 0.15 114.58 120.97 1bxl h GLU 193 Ca -0.12 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1bxl h GLU 193 Cb 1.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1bxl h GLU 193 CO 0.09 0.33 -1.91 1.28 -0.73 0.00 0.00 179.01 178.07 1bxl n LEU 194 N -3.63 0.00 -1.88 1.64 4.77 -0.76 -4.52 117.00 112.62 1bxl n LEU 194 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1bxl n LEU 194 Cb 0.44 0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.74 1bxl n LEU 194 CO 0.36 0.15 0.18 -1.22 -1.33 0.00 0.00 177.39 175.52 1bxl n TYR 195 N -2.29 1.91 -0.01 -1.77 4.02 -0.54 -4.63 117.16 113.85 1bxl n TYR 195 Ca -0.12 -2.01 0.00 0.00 -0.01 0.00 0.00 57.90 55.77 1bxl n TYR 195 Cb 0.66 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1bxl n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bxl n GLY 196 N -0.71 -3.47 3.66 2.72 0.00 0.52 -4.49 105.19 103.42 1bxl n GLY 196 Ca 0.32 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1bxl n GLY 196 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bxl n ASN 197 N -1.08 4.17 -3.91 1.61 4.13 -1.26 -1.81 115.26 117.12 1bxl n ASN 197 Ca 0.00 0.91 -0.30 0.00 1.68 0.00 0.00 54.58 56.87 1bxl n ASN 197 Cb 0.00 -1.53 0.03 0.00 -1.54 0.00 0.00 39.78 36.74 1bxl n ASN 197 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bxl n ASN 198 N 7.44 -4.63 0.05 6.41 4.13 -1.26 -4.85 115.26 122.55 1bxl n ASN 198 Ca 0.20 -0.78 -0.09 0.00 1.68 0.00 0.00 54.58 55.58 1bxl n ASN 198 Cb 0.41 -3.88 0.05 0.00 -1.54 0.00 0.00 39.78 34.82 1bxl n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bxl h ALA 199 N 0.96 0.65 -0.17 5.41 0.00 -1.60 -1.65 119.26 122.86 1bxl h ALA 199 Ca -0.58 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 53.79 1bxl h ALA 199 Cb 1.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1bxl h ALA 199 CO 0.67 0.74 -0.09 0.00 0.00 0.00 0.00 179.25 180.57 1bxl h ALA 200 N 0.98 0.06 0.00 0.00 0.00 -1.84 0.21 119.26 118.67 1bxl h ALA 200 Ca -0.02 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1bxl h ALA 200 Cb 1.24 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1bxl h ALA 200 CO 0.12 -0.52 -0.35 0.00 0.00 0.00 0.00 179.25 178.49 1bxl h ALA 201 N 1.08 0.93 0.00 0.00 0.00 -1.94 -2.82 119.26 116.51 1bxl h ALA 201 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bxl h ALA 201 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bxl h ALA 201 CO -0.22 0.44 0.00 0.93 0.00 0.00 0.00 179.25 180.40 1bxl h GLU 202 N 0.00 0.00 0.00 0.00 4.39 -0.18 -1.94 114.58 116.85 1bxl h GLU 202 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1bxl h GLU 202 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1bxl h GLU 202 CO 0.05 0.00 -0.50 1.03 -1.16 0.00 0.00 179.01 178.43 1bxl h SER 203 N 0.00 0.00 0.14 1.42 0.87 -0.74 0.22 113.55 115.46 1bxl h SER 203 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1bxl h SER 203 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1bxl h SER 203 CO 0.00 0.50 -2.03 -1.14 -0.53 0.00 0.00 176.83 173.63 1bxl n ARG 204 N -3.38 0.66 -0.10 2.24 0.63 -1.09 -4.01 116.66 111.61 1bxl n ARG 204 Ca 0.01 -0.05 -0.18 0.00 -0.92 0.00 0.00 57.85 56.71 1bxl n ARG 204 Cb 0.65 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.93 1bxl n ARG 204 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1bxl n LYS 205 N -2.56 0.50 0.30 -0.14 5.02 -0.75 -4.39 118.16 116.14 1bxl n LYS 205 Ca -0.16 0.21 0.18 0.00 -2.02 0.00 0.00 58.31 56.52 1bxl n LYS 205 Cb 0.84 -1.36 0.93 0.00 -0.02 0.00 0.00 35.03 35.42 1bxl n LYS 205 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1bxl h GLY 206 N -0.90 0.00 -0.00 0.72 0.00 -0.75 -3.09 103.07 99.05 1bxl h GLY 206 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1bxl h GLY 206 CO -0.20 0.00 -0.01 -1.61 0.00 0.00 0.00 176.54 174.72 1bxl h GLN 207 N 0.00 -0.01 0.00 4.80 4.15 -1.67 -3.42 115.11 118.96 1bxl h GLN 207 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1bxl h GLN 207 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1bxl h GLN 207 CO -0.00 -0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.29 1bxl n GLU 208 N -2.69 0.00 0.00 1.69 1.02 -1.17 -4.38 120.64 115.11 1bxl n GLU 208 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bxl n GLU 208 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1bxl n GLU 208 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1bxl n ARG 209 N 0.00 0.00 0.00 3.49 0.00 -1.26 -2.25 116.66 116.64 1bxl n ARG 209 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 1bxl n ARG 209 Cb 0.00 -0.47 0.43 0.00 0.00 0.00 0.00 32.46 32.41 1bxl n ARG 209 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1bxl n LEU 210 N 0.00 0.00 0.14 6.15 -0.00 -1.26 -3.59 117.00 118.43 1bxl n LEU 210 Ca 0.00 0.25 -0.09 0.00 -0.00 0.00 0.00 56.01 56.17 1bxl n LEU 210 Cb 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 43.42 43.12 1bxl n LEU 210 CO 0.00 -0.12 0.28 -0.08 -0.00 0.00 0.00 177.39 177.48 1bxl h GLU 211 N 0.00 -0.41 0.00 1.47 4.81 -1.72 -3.48 114.58 115.26 1bxl h GLU 211 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1bxl h GLU 211 Cb 0.14 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1bxl h GLU 211 CO 0.00 -0.15 0.00 1.58 -0.73 0.00 0.00 179.01 179.71 1bxl n HIS 212 N -5.06 0.00 0.00 0.92 -0.00 -0.95 -5.01 115.22 105.12 1bxl n HIS 212 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1bxl n HIS 212 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1bxl n HIS 212 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1bxl n HIS 213 N 0.00 0.00 -3.20 1.57 1.44 -1.03 -4.81 115.22 109.20 1bxl n HIS 213 Ca 0.00 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.27 1bxl n HIS 213 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1bxl n HIS 213 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1bxl n HIS 214 N 0.30 4.50 -2.06 -1.40 -0.00 -1.26 -4.55 115.22 110.74 1bxl n HIS 214 Ca 0.00 -3.53 -0.01 0.00 0.46 0.00 0.00 57.72 54.64 1bxl n HIS 214 Cb 0.00 -1.65 -0.01 0.00 -0.12 0.00 0.00 29.99 28.20 1bxl n HIS 214 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1bxl n HIS 215 N 2.65 0.00 0.19 1.57 1.44 -1.26 -4.91 115.22 114.91 1bxl n HIS 215 Ca 0.26 -0.17 0.18 0.00 -2.01 0.00 0.00 57.72 55.98 1bxl n HIS 215 Cb 0.38 0.19 0.82 0.00 0.12 0.00 0.00 29.99 31.50 1bxl n HIS 215 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 1bxl h HIS 216 N 0.12 0.00 0.00 -1.40 2.07 -1.97 -3.56 115.15 110.41 1bxl h HIS 216 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1bxl h HIS 216 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1bxl h HIS 216 CO -0.12 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.46