#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsr s GLU 2 N 0.00 4.23 0.90 1.97 2.12 -1.26 -5.05 118.70 121.62 1bsr s GLU 2 Ca 0.00 0.77 -0.12 0.00 0.36 0.00 0.00 54.97 55.98 1bsr s GLU 2 Cb 0.00 -3.25 0.13 0.00 0.26 0.00 0.00 34.13 31.28 1bsr s GLU 2 CO 0.00 0.62 1.12 -1.54 -0.54 0.00 0.00 175.26 174.91 1bsr s SER 3 N -1.05 3.54 0.36 -1.70 1.04 -1.26 -4.80 113.70 109.83 1bsr s SER 3 Ca 0.30 1.12 0.09 0.00 0.48 0.00 0.00 55.95 57.94 1bsr s SER 3 Cb -0.20 -1.76 0.70 0.00 0.10 0.00 0.00 66.02 64.87 1bsr s SER 3 CO 0.19 -2.55 1.86 0.00 0.98 0.00 0.00 173.24 173.73 1bsr h ALA 4 N -1.49 1.41 -0.35 5.32 0.00 -1.99 -0.15 119.26 122.01 1bsr h ALA 4 Ca -0.50 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.01 1bsr h ALA 4 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1bsr h ALA 4 CO 0.60 0.41 -0.34 0.00 0.00 0.00 0.00 179.25 179.92 1bsr h ALA 5 N 1.58 0.73 -0.10 0.00 0.00 -1.99 -1.21 119.26 118.27 1bsr h ALA 5 Ca 0.04 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1bsr h ALA 5 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bsr h ALA 5 CO 0.03 0.66 -0.63 0.00 0.00 0.00 0.00 179.25 179.31 1bsr h ALA 6 N 0.95 0.73 -0.19 0.00 0.00 -1.77 -2.18 119.26 116.79 1bsr h ALA 6 Ca 0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1bsr h ALA 6 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bsr h ALA 6 CO 0.08 0.73 -0.00 -0.22 0.00 0.00 0.00 179.25 179.84 1bsr h LYS 7 N 0.27 0.34 -0.23 0.00 3.64 -0.88 -1.15 116.57 118.56 1bsr h LYS 7 Ca -0.01 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1bsr h LYS 7 Cb 1.17 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1bsr h LYS 7 CO 0.11 0.55 -0.09 0.35 -2.27 0.00 0.00 179.45 178.09 1bsr h PHE 8 N 0.10 -0.21 -0.39 1.91 3.57 -1.14 0.19 116.94 120.96 1bsr h PHE 8 Ca 0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1bsr h PHE 8 Cb 0.39 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1bsr h PHE 8 CO 0.04 -0.15 0.09 0.93 -2.23 0.00 0.00 178.31 176.98 1bsr h GLU 9 N -0.05 0.21 -0.33 1.11 5.08 -1.15 -0.75 114.58 118.70 1bsr h GLU 9 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1bsr h GLU 9 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1bsr h GLU 9 CO -0.27 0.14 0.17 -0.09 -1.00 0.00 0.00 179.01 177.96 1bsr h ARG 10 N 0.22 0.46 0.00 2.33 2.43 -0.78 -1.23 114.38 117.80 1bsr h ARG 10 Ca 0.18 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1bsr h ARG 10 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1bsr h ARG 10 CO -0.23 0.41 -0.64 1.96 -1.51 0.00 0.00 179.97 179.96 1bsr h GLN 11 N 0.40 0.00 0.00 0.20 4.20 -0.79 -3.40 115.11 115.72 1bsr h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1bsr h GLN 11 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1bsr h GLN 11 CO -0.02 0.64 0.00 0.72 -0.67 0.00 0.00 178.83 179.50 1bsr n HIS 12 N -3.32 0.00 -4.77 2.96 8.25 -0.30 -5.08 115.22 112.96 1bsr n HIS 12 Ca 0.01 -0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1bsr n HIS 12 Cb 0.76 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.72 1bsr n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1bsr s MET 13 N -0.02 3.31 -0.45 -0.41 -1.94 -0.47 -5.00 119.30 114.33 1bsr s MET 13 Ca 0.00 -0.72 0.07 0.00 -1.71 0.00 0.00 55.69 53.33 1bsr s MET 13 Cb 0.00 -2.60 0.23 0.00 2.01 0.00 0.00 34.83 34.47 1bsr s MET 13 CO 0.00 0.16 0.67 -3.47 -0.01 0.00 0.00 175.02 172.38 1bsr n ASP 14 N 3.65 -1.61 -4.74 3.03 2.03 -1.26 -4.84 116.55 112.81 1bsr n ASP 14 Ca -0.18 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 51.78 1bsr n ASP 14 Cb 0.53 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.58 1bsr n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1bsr s SER 15 N -0.98 6.42 0.00 1.67 0.01 -1.26 -4.95 113.70 114.62 1bsr s SER 15 Ca 0.33 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.45 1bsr s SER 15 Cb 0.16 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1bsr s SER 15 CO -0.17 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1bsr n GLY 16 N 2.95 2.82 0.07 3.44 0.00 -1.26 -5.02 105.19 108.18 1bsr n GLY 16 Ca 0.11 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1bsr n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bsr n ASN 17 N 0.00 0.68 -3.13 1.61 3.02 -1.26 -4.52 115.26 111.65 1bsr n ASN 17 Ca 0.00 0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.41 1bsr n ASN 17 Cb 0.00 0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1bsr n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1bsr n SER 18 N -2.25 -0.72 0.13 6.41 3.41 -1.26 -5.02 113.62 114.33 1bsr n SER 18 Ca 0.01 -2.75 0.05 0.00 -0.26 0.00 0.00 58.87 55.93 1bsr n SER 18 Cb 0.48 -0.05 0.50 0.00 -0.26 0.00 0.00 64.21 64.88 1bsr n SER 18 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1bsr h PRO 19 N 4.39 0.26 -0.69 4.33 0.13 -1.93 -2.53 132.00 135.97 1bsr h PRO 19 Ca 0.07 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1bsr h PRO 19 Cb 0.93 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1bsr h PRO 19 CO 0.39 0.23 0.00 -1.13 -0.23 0.00 0.00 178.00 177.26 1bsr n SER 20 N -4.45 4.57 -4.59 1.44 3.41 -1.26 -4.89 113.62 107.85 1bsr n SER 20 Ca -0.00 -2.31 -0.40 0.00 -0.26 0.00 0.00 58.87 55.90 1bsr n SER 20 Cb 0.12 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1bsr n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bsr n SER 21 N 1.33 0.78 0.31 4.04 2.88 -0.96 -4.84 113.62 117.16 1bsr n SER 21 Ca 0.26 0.92 0.18 0.00 -1.33 0.00 0.00 58.87 58.90 1bsr n SER 21 Cb 0.82 -1.34 1.02 0.00 -0.75 0.00 0.00 64.21 63.96 1bsr n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bsr h SER 22 N 1.03 0.00 0.68 -3.46 4.64 -1.94 -2.02 113.55 112.48 1bsr h SER 22 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1bsr h SER 22 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1bsr h SER 22 CO 0.54 0.01 -0.07 0.77 -0.87 0.00 0.00 176.83 177.21 1bsr h SER 23 N 0.00 0.00 0.55 4.97 4.64 -1.93 -2.60 113.55 119.18 1bsr h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bsr h SER 23 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1bsr h SER 23 CO 0.00 0.07 -0.35 0.59 -0.87 0.00 0.00 176.83 176.27 1bsr n ASN 24 N -3.27 0.47 -0.13 4.97 3.02 -0.76 -4.38 115.26 115.18 1bsr n ASN 24 Ca -0.01 -0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.24 1bsr n ASN 24 Cb 0.27 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1bsr n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1bsr h TYR 25 N 0.19 -1.08 -0.56 3.10 3.20 -1.57 -2.38 116.97 117.86 1bsr h TYR 25 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1bsr h TYR 25 Cb 0.49 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 1bsr h TYR 25 CO 0.00 -0.41 0.36 0.00 -1.64 0.00 0.00 178.16 176.47 1bsr h ASN 27 N 0.76 0.30 -0.12 0.00 2.35 -1.74 -0.43 115.58 116.71 1bsr h ASN 27 Ca 0.20 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.90 1bsr h ASN 27 Cb -0.06 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1bsr h ASN 27 CO -0.04 0.18 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.44 1bsr h LEU 28 N 0.46 0.57 -0.52 1.61 3.38 -1.05 -3.13 115.31 116.63 1bsr h LEU 28 Ca 0.30 -0.61 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 1bsr h LEU 28 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1bsr h LEU 28 CO -0.27 1.08 -0.32 0.24 0.09 0.00 0.00 178.44 179.26 1bsr h MET 29 N 0.08 0.85 -0.60 1.13 2.86 -0.43 -0.85 114.93 117.98 1bsr h MET 29 Ca -0.02 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1bsr h MET 29 Cb 1.04 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 1bsr h MET 29 CO 0.09 1.05 0.21 0.52 1.06 0.00 0.00 176.91 179.84 1bsr h MET 30 N 0.72 0.88 0.32 1.72 2.86 -1.20 -0.60 114.93 119.63 1bsr h MET 30 Ca 0.07 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1bsr h MET 30 Cb 0.88 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1bsr h MET 30 CO 0.08 0.74 -0.16 0.00 1.06 0.00 0.00 176.91 178.64 1bsr n ARG 33 N -5.09 1.88 -3.85 0.00 5.12 -0.25 -4.91 116.66 109.55 1bsr n ARG 33 Ca 0.07 -0.72 -0.28 0.00 -1.93 0.00 0.00 57.85 55.00 1bsr n ARG 33 Cb 0.28 -1.66 0.03 0.00 -1.16 0.00 0.00 32.46 29.95 1bsr n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1bsr n LYS 34 N 0.14 -5.69 -0.38 5.56 5.02 -0.75 -4.91 118.16 117.16 1bsr n LYS 34 Ca 0.06 0.63 0.10 0.00 -2.02 0.00 0.00 58.31 57.08 1bsr n LYS 34 Cb 0.46 -5.48 0.29 0.00 -0.02 0.00 0.00 35.03 30.28 1bsr n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1bsr n MET 35 N -4.65 2.94 -1.39 1.97 2.81 0.09 -4.24 117.12 114.65 1bsr n MET 35 Ca -0.02 -2.58 -0.03 0.00 -1.81 0.00 0.00 57.70 53.26 1bsr n MET 35 Cb 0.55 -1.57 0.11 0.00 -0.71 0.00 0.00 33.22 31.60 1bsr n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1bsr n THR 36 N 1.27 1.77 -3.11 2.03 -2.24 -1.24 -2.10 114.28 110.66 1bsr n THR 36 Ca 0.22 -3.03 -0.43 0.00 -2.27 0.00 0.00 64.05 58.53 1bsr n THR 36 Cb 0.63 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1bsr n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bsr s GLN 37 N -2.78 3.23 0.00 -0.78 -1.52 -1.26 -4.23 119.66 112.33 1bsr s GLN 37 Ca 0.39 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 1bsr s GLN 37 Cb 0.38 -4.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.17 1bsr s GLN 37 CO -0.06 -1.10 0.00 0.41 -0.25 0.00 0.00 175.29 174.29 1bsr n GLY 38 N 5.08 1.34 3.59 3.09 0.00 -1.26 -4.86 105.19 112.17 1bsr n GLY 38 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1bsr n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bsr s LYS 39 N -0.16 0.46 -0.32 1.61 -2.85 -1.26 -5.07 119.74 112.14 1bsr s LYS 39 Ca 0.00 -0.19 -0.11 0.00 -1.00 0.00 0.00 55.97 54.67 1bsr s LYS 39 Cb 0.00 0.19 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1bsr s LYS 39 CO 0.00 -0.20 0.19 0.00 0.10 0.00 0.00 175.35 175.44 1bsr s LYS 41 N 1.67 4.25 0.15 0.00 2.20 -0.89 -4.89 119.74 122.22 1bsr s LYS 41 Ca 0.05 2.20 -0.13 0.00 -0.36 0.00 0.00 55.97 57.74 1bsr s LYS 41 Cb -0.17 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1bsr s LYS 41 CO 0.08 -0.60 1.64 -1.00 -0.36 0.00 0.00 175.35 175.11 1bsr h PRO 42 N 7.49 0.84 -3.83 4.03 0.13 -1.95 -3.44 132.00 135.28 1bsr h PRO 42 Ca -0.42 -0.23 -0.21 0.00 -0.87 0.00 0.00 66.00 64.28 1bsr h PRO 42 Cb 1.20 -0.10 -0.25 0.00 0.13 0.00 0.00 31.00 31.98 1bsr h PRO 42 CO 0.90 0.83 -0.71 0.08 -0.23 0.00 0.00 178.00 178.87 1bsr s VAL 43 N -5.19 0.05 -0.25 1.56 1.01 -1.26 -0.48 120.40 115.83 1bsr s VAL 43 Ca -0.13 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 1bsr s VAL 43 Cb 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 36.38 36.47 1bsr s VAL 43 CO 0.81 -0.18 0.74 0.21 0.00 0.00 0.00 175.10 176.68 1bsr s ASN 44 N -0.54 -0.71 -0.11 3.32 2.47 -0.52 -5.01 114.94 113.83 1bsr s ASN 44 Ca -0.06 1.32 0.01 0.00 0.42 0.00 0.00 52.86 54.55 1bsr s ASN 44 Cb -0.04 1.32 -0.01 0.00 -1.45 0.00 0.00 41.25 41.07 1bsr s ASN 44 CO -0.00 -0.28 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.06 1bsr s THR 45 N 0.19 2.89 -0.08 -5.21 2.01 -1.26 -0.64 115.64 113.54 1bsr s THR 45 Ca -0.01 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1bsr s THR 45 Cb -0.04 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 1bsr s THR 45 CO 0.01 0.54 0.03 -0.36 -0.69 0.00 0.00 174.62 174.15 1bsr s PHE 46 N 0.20 3.23 -0.14 4.92 0.08 -0.32 -4.95 117.98 120.99 1bsr s PHE 46 Ca -0.09 0.24 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 1bsr s PHE 46 Cb -0.15 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 1bsr s PHE 46 CO 0.05 0.52 -0.07 0.08 -0.10 0.00 0.00 175.22 175.70 1bsr s VAL 47 N -0.95 3.64 -0.97 -0.44 1.01 -1.26 -0.84 120.40 120.60 1bsr s VAL 47 Ca 0.15 -0.45 0.18 0.00 0.00 0.00 0.00 61.98 61.85 1bsr s VAL 47 Cb -0.11 -2.57 0.72 0.00 0.00 0.00 0.00 36.38 34.42 1bsr s VAL 47 CO 0.04 0.51 1.63 1.41 0.00 0.00 0.00 175.10 178.69 1bsr n HIS 48 N 3.42 1.52 -2.54 5.22 -0.00 0.15 -4.96 115.22 118.03 1bsr n HIS 48 Ca -0.18 -0.64 -0.24 0.00 -0.00 0.00 0.00 57.72 56.67 1bsr n HIS 48 Cb 0.53 -0.28 0.04 0.00 -0.00 0.00 0.00 29.99 30.28 1bsr n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1bsr s GLU 49 N -1.99 2.60 0.45 -0.41 0.41 -1.26 -4.97 118.70 113.52 1bsr s GLU 49 Ca 0.51 -0.47 -0.23 0.00 -0.41 0.00 0.00 54.97 54.37 1bsr s GLU 49 Cb 0.34 -2.38 -0.08 0.00 -1.78 0.00 0.00 34.13 30.23 1bsr s GLU 49 CO 0.23 -0.78 1.12 -1.54 -0.49 0.00 0.00 175.26 173.79 1bsr s SER 50 N -4.40 6.34 0.25 -0.19 1.04 -1.26 -4.90 113.70 110.59 1bsr s SER 50 Ca 0.56 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 59.15 1bsr s SER 50 Cb -0.10 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 63.89 1bsr s SER 50 CO 0.41 -0.79 1.78 0.25 0.98 0.00 0.00 173.24 175.87 1bsr h LEU 51 N 2.10 0.57 -1.07 2.42 5.85 -1.98 -1.02 115.31 122.18 1bsr h LEU 51 Ca -0.49 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.43 1bsr h LEU 51 Cb 1.24 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 1bsr h LEU 51 CO 0.61 0.28 0.62 0.00 -0.34 0.00 0.00 178.44 179.60 1bsr h ALA 52 N 1.51 1.59 -0.16 1.25 0.00 -1.99 0.37 119.26 121.83 1bsr h ALA 52 Ca 0.43 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 1bsr h ALA 52 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bsr h ALA 52 CO -0.32 0.16 -0.60 -0.44 0.00 0.00 0.00 179.25 178.06 1bsr h ASP 53 N 0.93 0.61 0.34 0.00 3.32 -1.57 -2.32 116.42 117.73 1bsr h ASP 53 Ca 0.49 -0.34 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 1bsr h ASP 53 Cb 0.54 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1bsr h ASP 53 CO -0.25 1.06 -0.81 0.58 -1.72 0.00 0.00 179.24 178.10 1bsr h VAL 54 N 0.40 1.41 -0.19 -1.35 2.07 -0.94 -3.08 116.25 114.57 1bsr h VAL 54 Ca -0.00 -2.30 -0.09 0.00 0.82 0.00 0.00 66.70 65.13 1bsr h VAL 54 Cb 1.15 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1bsr h VAL 54 CO 0.11 0.69 -0.27 0.11 0.02 0.00 0.00 177.57 178.23 1bsr h LYS 55 N 0.23 0.35 0.00 1.57 1.57 -0.90 -2.72 116.57 116.67 1bsr h LYS 55 Ca -0.05 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1bsr h LYS 55 Cb 1.41 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1bsr h LYS 55 CO 0.14 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 1bsr n ALA 56 N -2.48 1.53 0.07 3.86 0.00 -0.88 -2.20 120.51 120.41 1bsr n ALA 56 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1bsr n ALA 56 Cb 0.39 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.76 1bsr n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bsr h VAL 57 N 0.00 1.25 0.00 0.00 2.07 -1.54 -2.14 116.25 115.90 1bsr h VAL 57 Ca 0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1bsr h VAL 57 Cb 0.28 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1bsr h VAL 57 CO 0.00 0.37 0.02 0.00 0.02 0.00 0.00 177.57 177.98 1bsr n SER 59 N -1.43 1.80 0.00 0.00 3.41 -0.80 -5.01 113.62 111.58 1bsr n SER 59 Ca 0.00 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.05 1bsr n SER 59 Cb 0.02 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1bsr n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsr n GLN 60 N -1.09 1.45 -2.30 4.33 6.02 -0.21 -5.03 117.38 120.56 1bsr n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1bsr n GLN 60 Cb 0.70 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.94 1bsr n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1bsr s LYS 61 N 4.48 4.08 -0.04 -1.09 2.20 -1.20 -4.88 119.74 123.29 1bsr s LYS 61 Ca 0.00 1.67 -0.28 0.00 -0.36 0.00 0.00 55.97 57.00 1bsr s LYS 61 Cb 0.00 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.42 1bsr s LYS 61 CO 0.00 -0.92 0.91 0.21 -0.36 0.00 0.00 175.35 175.19 1bsr s LYS 62 N 3.93 4.49 0.23 4.03 2.20 -1.26 -0.56 119.74 132.80 1bsr s LYS 62 Ca 0.61 1.27 0.04 0.00 -0.36 0.00 0.00 55.97 57.52 1bsr s LYS 62 Cb -0.23 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1bsr s LYS 62 CO 0.21 -0.08 -0.01 0.14 -0.36 0.00 0.00 175.35 175.25 1bsr s VAL 63 N 1.19 1.03 0.29 4.02 -7.23 0.03 -4.93 120.40 114.79 1bsr s VAL 63 Ca 0.47 -2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 1bsr s VAL 63 Cb -0.20 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1bsr s VAL 63 CO 0.23 -0.34 0.88 -0.89 -0.31 0.00 0.00 175.10 174.67 1bsr s THR 64 N -3.42 4.30 0.59 5.32 2.01 -1.26 -3.25 115.64 119.93 1bsr s THR 64 Ca 0.28 1.69 -0.04 0.00 0.31 0.00 0.00 61.69 63.93 1bsr s THR 64 Cb 0.06 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.61 1bsr s THR 64 CO 0.08 0.18 0.87 0.00 -0.69 0.00 0.00 174.62 175.07 1bsr h LYS 66 N -0.16 0.84 -0.74 0.00 1.57 -1.92 -1.56 116.57 114.61 1bsr h LYS 66 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1bsr h LYS 66 Cb 1.28 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1bsr h LYS 66 CO 0.59 0.56 0.00 0.27 -0.57 0.00 0.00 179.45 180.29 1bsr n ASN 67 N -4.50 2.14 0.00 0.86 6.94 -1.26 -4.88 115.26 114.57 1bsr n ASN 67 Ca 0.13 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1bsr n ASN 67 Cb 0.25 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1bsr n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bsr n GLY 68 N 0.32 2.78 3.74 4.83 0.00 -0.59 -5.02 105.19 111.25 1bsr n GLY 68 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1bsr n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bsr s GLN 69 N -0.10 1.51 -0.22 1.61 -1.52 -1.26 -4.67 119.66 115.01 1bsr s GLN 69 Ca 0.00 0.83 0.12 0.00 -1.95 0.00 0.00 55.36 54.36 1bsr s GLN 69 Cb 0.00 -1.84 0.43 0.00 -0.22 0.00 0.00 33.01 31.38 1bsr s GLN 69 CO 0.00 -2.07 1.28 0.25 -0.25 0.00 0.00 175.29 174.50 1bsr n THR 70 N -3.77 2.25 -1.43 -0.19 -2.24 -1.26 0.02 114.28 107.65 1bsr n THR 70 Ca 0.07 -2.94 -0.21 0.00 -2.27 0.00 0.00 64.05 58.71 1bsr n THR 70 Cb 0.55 -0.26 0.14 0.00 -2.10 0.00 0.00 70.33 68.66 1bsr n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bsr n ASN 71 N -1.14 4.60 -4.72 3.42 6.94 -1.26 -4.76 115.26 118.34 1bsr n ASN 71 Ca 0.22 -3.74 -0.31 0.00 -0.02 0.00 0.00 54.58 50.73 1bsr n ASN 71 Cb 0.77 -0.75 -0.08 0.00 -2.36 0.00 0.00 39.78 37.37 1bsr n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bsr s TYR 73 N -1.26 0.90 -0.14 0.00 1.51 0.61 -0.79 117.35 118.18 1bsr s TYR 73 Ca 0.25 -0.25 -0.07 0.00 -1.01 0.00 0.00 57.07 55.99 1bsr s TYR 73 Cb -0.12 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1bsr s TYR 73 CO 0.17 -0.14 0.11 -1.14 -1.11 0.00 0.00 175.55 173.44 1bsr s GLN 74 N 0.46 3.56 0.38 -0.62 0.74 0.27 -2.24 119.66 122.22 1bsr s GLN 74 Ca -0.07 -0.20 -0.26 0.00 0.05 0.00 0.00 55.36 54.88 1bsr s GLN 74 Cb -0.11 -3.18 -0.09 0.00 1.10 0.00 0.00 33.01 30.73 1bsr s GLN 74 CO 0.01 0.64 1.21 -1.54 -0.55 0.00 0.00 175.29 175.05 1bsr s SER 75 N -0.63 6.56 0.36 6.67 1.04 -0.51 -3.22 113.70 123.96 1bsr s SER 75 Ca 0.12 2.45 0.18 0.00 0.48 0.00 0.00 55.95 59.19 1bsr s SER 75 Cb -0.12 -2.62 0.53 0.00 0.10 0.00 0.00 66.02 63.91 1bsr s SER 75 CO 0.02 -0.66 1.66 0.07 0.98 0.00 0.00 173.24 175.31 1bsr h LYS 76 N 2.82 0.00 -6.06 4.02 2.10 -1.95 -3.43 116.57 114.06 1bsr h LYS 76 Ca -0.49 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.62 1bsr h LYS 76 Cb 1.23 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1bsr h LYS 76 CO 0.63 0.39 -0.50 -1.12 -2.00 0.00 0.00 179.45 176.85 1bsr s SER 77 N -6.40 4.70 0.54 7.07 0.01 -1.26 -5.09 113.70 113.27 1bsr s SER 77 Ca 0.01 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.37 1bsr s SER 77 Cb 0.10 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1bsr s SER 77 CO 0.70 -0.40 0.90 0.42 0.41 0.00 0.00 173.24 175.26 1bsr s THR 78 N -2.47 4.81 0.08 1.44 -4.23 -1.26 -4.47 115.64 109.54 1bsr s THR 78 Ca 0.40 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.46 1bsr s THR 78 Cb -0.01 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1bsr s THR 78 CO 0.23 -0.96 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.25 1bsr s MET 79 N -4.88 0.74 -0.22 3.99 -1.94 0.14 -4.88 119.30 112.25 1bsr s MET 79 Ca 0.51 -1.25 -0.25 0.00 -1.71 0.00 0.00 55.69 53.00 1bsr s MET 79 Cb -0.11 -0.10 -0.01 0.00 2.01 0.00 0.00 34.83 36.62 1bsr s MET 79 CO 0.48 -0.04 0.84 1.03 -0.01 0.00 0.00 175.02 177.32 1bsr s ARG 80 N -3.63 4.22 0.05 2.03 0.52 -1.26 -1.99 118.95 118.89 1bsr s ARG 80 Ca 0.08 0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 56.27 1bsr s ARG 80 Cb 0.04 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 1bsr s ARG 80 CO -0.06 -0.47 -0.03 0.96 0.02 0.00 0.00 175.30 175.72 1bsr s ILE 81 N 2.67 0.23 -0.12 1.52 -4.36 -0.98 -0.68 121.20 119.49 1bsr s ILE 81 Ca 0.36 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 1bsr s ILE 81 Cb -0.16 -1.26 0.01 0.00 1.25 0.00 0.00 42.46 42.31 1bsr s ILE 81 CO 0.09 -0.88 -0.18 -0.89 0.24 0.00 0.00 174.94 173.32 1bsr s THR 82 N -3.36 1.69 -0.17 8.37 2.01 -0.02 -1.98 115.64 122.19 1bsr s THR 82 Ca 0.02 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1bsr s THR 82 Cb 0.04 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1bsr s THR 82 CO -0.08 0.48 0.17 -1.81 -0.69 0.00 0.00 174.62 172.69 1bsr s ASP 83 N 0.91 6.30 -0.15 3.53 1.01 0.33 -1.17 116.67 127.43 1bsr s ASP 83 Ca -0.07 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.54 1bsr s ASP 83 Cb -0.15 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1bsr s ASP 83 CO -0.01 0.22 -0.16 0.00 0.21 0.00 0.00 175.17 175.42 1bsr s ARG 85 N 0.75 0.76 0.37 0.00 0.52 -0.82 -1.44 118.95 119.08 1bsr s ARG 85 Ca -0.07 -0.20 -0.27 0.00 -0.52 0.00 0.00 55.73 54.68 1bsr s ARG 85 Cb -0.16 -0.74 -0.12 0.00 0.52 0.00 0.00 34.95 34.46 1bsr s ARG 85 CO 0.01 0.04 1.22 0.39 0.02 0.00 0.00 175.30 176.98 1bsr n GLU 86 N 3.47 1.90 -2.65 3.54 1.02 0.37 -0.72 120.64 127.57 1bsr n GLU 86 Ca -0.20 0.67 -0.31 0.00 -0.02 0.00 0.00 57.16 57.30 1bsr n GLU 86 Cb 0.54 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 1bsr n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bsr s THR 87 N -1.14 4.65 0.29 2.62 -4.23 -0.39 -4.72 115.64 112.71 1bsr s THR 87 Ca 0.58 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 62.04 1bsr s THR 87 Cb -0.56 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 69.88 1bsr s THR 87 CO 0.60 -0.58 1.64 1.23 -0.54 0.00 0.00 174.62 176.97 1bsr h GLY 88 N 1.15 1.29 -2.58 3.99 0.00 -1.93 -1.02 103.07 103.97 1bsr h GLY 88 Ca -0.47 0.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1bsr h GLY 88 CO 0.63 -0.38 0.15 -1.14 0.00 0.00 0.00 176.54 175.80 1bsr n SER 89 N -5.27 3.33 -4.68 0.19 3.41 -1.26 -4.90 113.62 104.43 1bsr n SER 89 Ca 0.21 -2.60 -0.43 0.00 -0.26 0.00 0.00 58.87 55.79 1bsr n SER 89 Cb 0.67 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1bsr n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bsr s SER 90 N -0.24 7.21 -0.11 4.04 0.15 -0.39 -4.94 113.70 119.42 1bsr s SER 90 Ca 0.27 1.53 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 1bsr s SER 90 Cb 0.22 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1bsr s SER 90 CO 0.07 -0.49 0.23 -0.75 1.20 0.00 0.00 173.24 173.50 1bsr s LYS 91 N 2.19 0.13 0.19 5.44 2.20 -0.59 -4.91 119.74 124.40 1bsr s LYS 91 Ca 0.48 0.64 -0.33 0.00 -0.36 0.00 0.00 55.97 56.40 1bsr s LYS 91 Cb -0.18 -0.11 -0.14 0.00 -1.51 0.00 0.00 37.83 35.88 1bsr s LYS 91 CO 0.17 -0.26 1.35 0.98 -0.36 0.00 0.00 175.35 177.23 1bsr n TYR 92 N 5.03 1.86 0.10 4.03 9.36 -1.26 0.02 117.16 136.30 1bsr n TYR 92 Ca -0.11 0.50 0.04 0.00 3.32 0.00 0.00 57.90 61.64 1bsr n TYR 92 Cb 0.51 -2.41 0.20 0.00 -0.63 0.00 0.00 39.34 37.01 1bsr n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1bsr n PRO 93 N 2.20 2.88 -3.79 2.98 -0.04 -1.26 -4.99 135.00 132.98 1bsr n PRO 93 Ca 0.14 -1.54 -0.33 0.00 -0.04 0.00 0.00 63.50 61.73 1bsr n PRO 93 Cb 0.28 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 1bsr n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1bsr s ASN 94 N -0.41 5.21 0.19 3.54 0.02 0.10 -5.05 114.94 118.53 1bsr s ASN 94 Ca 0.27 -3.50 -0.23 0.00 -1.02 0.00 0.00 52.86 48.38 1bsr s ASN 94 Cb 0.20 -1.77 -0.08 0.00 0.02 0.00 0.00 41.25 39.62 1bsr s ASN 94 CO 0.08 -0.19 0.76 0.00 0.02 0.00 0.00 177.10 177.76 1bsr s ALA 96 N -1.29 0.39 0.06 0.00 0.00 -1.26 -4.95 121.76 114.71 1bsr s ALA 96 Ca 0.38 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.28 1bsr s ALA 96 Cb -0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1bsr s ALA 96 CO 0.24 0.05 -0.11 0.71 0.00 0.00 0.00 175.76 176.65 1bsr s TYR 97 N 0.23 0.92 -0.13 0.00 1.51 -1.26 -1.26 117.35 117.36 1bsr s TYR 97 Ca -0.02 -0.49 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1bsr s TYR 97 Cb -0.06 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1bsr s TYR 97 CO -0.00 -0.02 0.18 0.21 -1.11 0.00 0.00 175.55 174.81 1bsr s LYS 98 N -1.67 3.78 -0.20 -0.62 2.20 0.10 -4.61 119.74 118.71 1bsr s LYS 98 Ca -0.06 -0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.36 1bsr s LYS 98 Cb -0.10 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1bsr s LYS 98 CO 0.01 0.58 0.21 0.99 -0.36 0.00 0.00 175.35 176.78 1bsr s THR 99 N -0.49 5.34 -0.13 3.43 2.01 -1.26 -1.94 115.64 122.60 1bsr s THR 99 Ca 0.14 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 1bsr s THR 99 Cb -0.12 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1bsr s THR 99 CO 0.03 0.37 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.36 1bsr s THR 100 N 0.74 1.16 -0.29 -0.82 2.01 -0.35 -4.98 115.64 113.11 1bsr s THR 100 Ca 0.11 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1bsr s THR 100 Cb -0.13 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1bsr s THR 100 CO 0.03 0.32 0.17 -1.10 -0.69 0.00 0.00 174.62 173.35 1bsr s GLN 101 N 1.64 3.72 0.38 4.92 -0.21 -1.26 -0.52 119.66 128.33 1bsr s GLN 101 Ca 0.04 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 54.99 1bsr s GLN 101 Cb -0.13 -3.62 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 1bsr s GLN 101 CO -0.09 -0.27 0.15 0.14 -2.12 0.00 0.00 175.29 173.11 1bsr s VAL 102 N 1.71 0.48 -0.30 1.09 -7.23 -0.84 -5.04 120.40 110.28 1bsr s VAL 102 Ca 0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1bsr s VAL 102 Cb -0.16 -2.41 0.09 0.00 0.56 0.00 0.00 36.38 34.46 1bsr s VAL 102 CO 0.09 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.36 1bsr s GLU 103 N -3.69 0.72 0.28 4.82 2.02 -1.26 -2.31 118.70 119.27 1bsr s GLU 103 Ca 0.28 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.31 1bsr s GLU 103 Cb 0.03 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1bsr s GLU 103 CO 0.17 -0.94 0.18 0.15 0.02 0.00 0.00 175.26 174.84 1bsr s LYS 104 N 1.64 1.52 0.42 1.61 1.02 -0.84 -4.78 119.74 120.33 1bsr s LYS 104 Ca 0.08 -1.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.11 1bsr s LYS 104 Cb -0.17 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.21 1bsr s LYS 104 CO -0.23 -0.49 0.80 -1.01 -0.92 0.00 0.00 175.35 173.50 1bsr s HIS 105 N -3.74 3.47 0.21 3.18 3.76 0.73 0.27 115.29 123.17 1bsr s HIS 105 Ca 0.38 1.11 0.10 0.00 -0.15 0.00 0.00 55.06 56.50 1bsr s HIS 105 Cb 0.05 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1bsr s HIS 105 CO 0.19 -0.14 -0.13 0.96 -0.85 0.00 0.00 174.74 174.76 1bsr s ILE 106 N -2.40 2.91 -0.11 0.60 -4.36 -1.26 -0.34 121.20 116.24 1bsr s ILE 106 Ca 0.52 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1bsr s ILE 106 Cb -0.10 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.17 1bsr s ILE 106 CO 0.31 -0.19 -0.07 -0.63 0.24 0.00 0.00 174.94 174.60 1bsr s ILE 107 N -1.89 0.98 0.22 8.37 1.01 0.16 -1.43 121.20 128.62 1bsr s ILE 107 Ca 0.25 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.72 1bsr s ILE 107 Cb -0.08 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1bsr s ILE 107 CO 0.14 0.35 -0.17 0.68 0.00 0.00 0.00 174.94 175.94 1bsr s VAL 108 N 1.73 2.00 -0.18 2.92 -7.23 -0.95 -0.32 120.40 118.37 1bsr s VAL 108 Ca 0.05 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1bsr s VAL 108 Cb -0.13 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1bsr s VAL 108 CO -0.08 -0.45 0.17 0.00 -0.31 0.00 0.00 175.10 174.43 1bsr s ALA 109 N -2.55 3.69 -0.04 1.32 0.00 -0.06 -0.28 121.76 123.83 1bsr s ALA 109 Ca 0.23 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1bsr s ALA 109 Cb -0.04 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1bsr s ALA 109 CO 0.09 0.20 -0.12 0.00 0.00 0.00 0.00 175.76 175.93 1bsr s GLY 111 N -0.86 1.05 0.00 0.00 0.00 -0.12 -4.87 107.32 102.52 1bsr s GLY 111 Ca 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1bsr s GLY 111 CO 0.02 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.56 1bsr n GLY 112 N -0.25 -2.21 2.76 0.20 0.00 -1.26 -1.33 105.19 103.10 1bsr n GLY 112 Ca -0.01 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.32 1bsr n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bsr s LYS 113 N -0.71 0.15 0.72 1.61 2.36 -1.26 -2.99 119.74 119.62 1bsr s LYS 113 Ca 0.00 0.25 -0.16 0.00 -2.55 0.00 0.00 55.97 53.51 1bsr s LYS 113 Cb 0.00 -1.09 0.03 0.00 -1.05 0.00 0.00 37.83 35.72 1bsr s LYS 113 CO 0.00 -0.59 1.23 -1.25 1.55 0.00 0.00 175.35 176.29 1bsr s PRO 114 N 2.31 2.17 0.04 4.03 0.04 -1.26 -5.09 135.00 137.24 1bsr s PRO 114 Ca 0.06 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1bsr s PRO 114 Cb -0.15 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1bsr s PRO 114 CO -0.11 -1.83 1.55 0.45 0.04 0.00 0.00 177.00 177.10 1bsr s SER 115 N -1.85 6.70 0.10 6.66 0.15 -1.16 -4.93 113.70 119.38 1bsr s SER 115 Ca 0.77 2.33 0.01 0.00 0.70 0.00 0.00 55.95 59.76 1bsr s SER 115 Cb -0.32 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.39 1bsr s SER 115 CO 0.44 -0.82 -0.04 0.68 1.20 0.00 0.00 173.24 174.70 1bsr s VAL 116 N 2.58 0.57 0.10 4.45 -7.23 -0.44 -4.87 120.40 115.56 1bsr s VAL 116 Ca 0.70 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 1bsr s VAL 116 Cb -0.36 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 1bsr s VAL 116 CO 0.30 -0.81 1.70 -2.84 -0.31 0.00 0.00 175.10 173.14 1bsr s PRO 117 N -3.87 4.18 -0.02 4.82 0.02 -1.26 -0.95 135.00 137.91 1bsr s PRO 117 Ca 0.14 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.62 1bsr s PRO 117 Cb 0.06 -3.54 -0.06 0.00 0.02 0.00 0.00 34.50 30.97 1bsr s PRO 117 CO -0.04 -0.75 0.06 1.33 -0.33 0.00 0.00 177.00 177.27 1bsr n VAL 118 N 4.64 0.14 -3.91 3.83 0.24 0.44 -4.88 118.33 118.84 1bsr n VAL 118 Ca 0.16 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 1bsr n VAL 118 Cb 0.39 -0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 1bsr n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1bsr s HIS 119 N -2.22 0.09 -0.33 6.34 5.65 -1.11 -4.99 115.29 118.73 1bsr s HIS 119 Ca -0.02 -0.19 -0.12 0.00 0.25 0.00 0.00 55.06 54.98 1bsr s HIS 119 Cb 0.02 -0.08 -0.02 0.00 -1.18 0.00 0.00 32.58 31.32 1bsr s HIS 119 CO 0.18 -0.18 0.21 0.12 -0.65 0.00 0.00 174.74 174.43 1bsr s PHE 120 N -1.00 3.21 -0.15 3.88 2.19 -1.26 -0.88 117.98 123.98 1bsr s PHE 120 Ca -0.11 -0.28 -0.17 0.00 0.33 0.00 0.00 56.93 56.70 1bsr s PHE 120 Cb -0.06 -2.44 -0.24 0.00 -1.31 0.00 0.00 43.02 38.97 1bsr s PHE 120 CO 0.00 -0.37 0.39 0.22 1.83 0.00 0.00 175.22 177.29 1bsr h ASP 121 N 8.44 0.21 -5.55 6.13 3.58 -1.00 -3.48 116.42 124.76 1bsr h ASP 121 Ca -0.32 -0.74 0.31 0.00 0.42 0.00 0.00 57.03 56.70 1bsr h ASP 121 Cb 1.16 -0.07 -0.13 0.00 1.72 0.00 0.00 39.33 42.01 1bsr h ASP 121 CO 0.62 1.59 0.81 0.00 -2.88 0.00 0.00 179.24 179.39 1bsr s ALA 122 N -2.43 -2.19 0.11 -0.78 0.00 -0.98 -4.93 121.76 110.55 1bsr s ALA 122 Ca -0.24 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1bsr s ALA 122 Cb 0.05 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1bsr s ALA 122 CO 0.69 -0.99 -0.20 -1.54 0.00 0.00 0.00 175.76 173.72 1bsr s SER 123 N -2.87 2.51 0.00 0.00 1.04 -1.26 0.38 113.70 113.50 1bsr s SER 123 Ca 0.13 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1bsr s SER 123 Cb 0.04 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1bsr s SER 123 CO -0.04 0.05 0.00 0.55 0.98 0.00 0.00 173.24 174.78