#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 3.78 0.83 1.64 2.12 -1.26 -5.11 118.70 120.71 1bsr s GLU 2 Ca 0.00 -0.43 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 1bsr s GLU 2 Cb 0.00 -3.24 0.09 0.00 0.26 0.00 0.00 34.13 31.24 1bsr s GLU 2 CO 0.00 0.03 1.10 -1.54 -0.54 0.00 0.00 175.26 174.31 1bsr s SER 3 N 1.02 4.14 0.30 -1.70 1.04 -1.26 -4.80 113.70 112.43 1bsr s SER 3 Ca 0.04 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 57.80 1bsr s SER 3 Cb -0.14 -2.06 0.44 0.00 0.10 0.00 0.00 66.02 64.36 1bsr s SER 3 CO 0.03 -2.20 1.96 0.00 0.98 0.00 0.00 173.24 174.01 1bsr h ALA 4 N -1.25 1.41 -0.38 5.32 0.00 -1.99 -1.26 119.26 121.12 1bsr h ALA 4 Ca -0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1bsr h ALA 4 Cb 1.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1bsr h ALA 4 CO 0.58 0.54 0.15 0.00 0.00 0.00 0.00 179.25 180.52 1bsr h ALA 5 N 1.48 0.50 -0.71 0.00 0.00 -1.99 -1.43 119.26 117.11 1bsr h ALA 5 Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bsr h ALA 5 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1bsr h ALA 5 CO -0.07 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.51 1bsr h ALA 6 N 0.99 1.07 -0.55 0.00 0.00 -1.83 -1.06 119.26 117.89 1bsr h ALA 6 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bsr h ALA 6 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bsr h ALA 6 CO -0.01 0.63 0.11 -0.22 0.00 0.00 0.00 179.25 179.77 1bsr h LYS 7 N 1.04 0.89 -0.50 0.00 3.64 -1.06 -1.40 116.57 119.18 1bsr h LYS 7 Ca 0.23 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1bsr h LYS 7 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1bsr h LYS 7 CO -0.01 0.85 0.20 0.35 -2.27 0.00 0.00 179.45 178.56 1bsr h PHE 8 N 0.78 0.76 -1.01 1.91 3.04 -0.67 -0.54 116.94 121.21 1bsr h PHE 8 Ca 0.17 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1bsr h PHE 8 Cb 0.37 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1bsr h PHE 8 CO 0.03 0.64 0.67 0.93 -2.02 0.00 0.00 178.31 178.55 1bsr h GLU 9 N 0.66 1.32 -0.32 1.11 5.08 -0.79 -0.01 114.58 121.64 1bsr h GLU 9 Ca 0.17 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1bsr h GLU 9 Cb 0.20 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bsr h GLU 9 CO -0.01 0.87 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.71 1bsr h ARG 10 N 1.36 0.61 0.08 2.33 2.43 -0.97 -2.06 114.38 118.16 1bsr h ARG 10 Ca 0.37 -0.23 -0.25 0.00 -0.81 0.00 0.00 59.98 59.05 1bsr h ARG 10 Cb -0.15 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1bsr h ARG 10 CO -0.08 0.79 -1.11 1.96 -1.51 0.00 0.00 179.97 180.01 1bsr h GLN 11 N 0.39 0.35 -0.00 0.20 4.20 -0.89 -3.41 115.11 115.95 1bsr h GLN 11 Ca 0.08 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1bsr h GLN 11 Cb 0.56 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1bsr h GLN 11 CO 0.03 1.18 -0.12 0.72 -0.67 0.00 0.00 178.83 179.97 1bsr n HIS 12 N -3.64 0.00 -4.06 2.96 8.25 -0.04 -5.04 115.22 113.65 1bsr n HIS 12 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 1bsr n HIS 12 Cb 0.94 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.93 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 -1.08 3.74 -0.41 -0.41 -1.94 -0.77 -4.97 119.30 113.45 1bsr s MET 13 Ca 0.02 -0.46 0.08 0.00 -1.71 0.00 0.00 55.69 53.62 1bsr s MET 13 Cb 0.03 -3.13 0.28 0.00 2.01 0.00 0.00 34.83 34.01 1bsr s MET 13 CO 0.12 0.09 0.70 -3.47 -0.01 0.00 0.00 175.02 172.45 1bsr n ASP 14 N 4.05 -0.57 -4.77 3.03 2.03 -1.26 -4.82 116.55 114.24 1bsr n ASP 14 Ca -0.17 -2.98 -0.40 0.00 0.52 0.00 0.00 54.79 51.76 1bsr n ASP 14 Cb 0.52 0.13 -0.01 0.00 -0.72 0.00 0.00 41.12 41.04 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 -1.57 6.41 -1.66 1.67 0.01 -1.26 -3.55 113.70 113.75 1bsr s SER 15 Ca 0.34 2.64 -0.02 0.00 1.31 0.00 0.00 55.95 60.22 1bsr s SER 15 Cb 0.23 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1bsr s SER 15 CO -0.13 -0.78 0.26 0.61 0.41 0.00 0.00 173.24 173.61 1bsr n GLY 16 N 0.69 -0.51 3.14 3.44 0.00 -1.26 -4.97 105.19 105.72 1bsr n GLY 16 Ca 0.03 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1bsr n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bsr s ASN 17 N -2.33 0.14 0.05 1.61 2.47 -1.23 -5.16 114.94 110.48 1bsr s ASN 17 Ca 0.13 -0.51 0.02 0.00 0.42 0.00 0.00 52.86 52.92 1bsr s ASN 17 Cb -0.06 0.26 -0.03 0.00 -1.45 0.00 0.00 41.25 39.97 1bsr s ASN 17 CO 0.16 -0.55 -0.07 -0.55 -3.72 0.00 0.00 177.10 172.37 1bsr s SER 18 N -2.23 0.85 0.49 -4.21 0.15 -1.26 -5.02 113.70 102.47 1bsr s SER 18 Ca -0.03 -0.59 0.26 0.00 0.70 0.00 0.00 55.95 56.28 1bsr s SER 18 Cb -0.00 0.04 1.32 0.00 -1.71 0.00 0.00 66.02 65.68 1bsr s SER 18 CO -0.05 -0.23 1.89 -0.65 1.20 0.00 0.00 173.24 175.39 1bsr h PRO 19 N 4.36 0.15 0.00 5.44 0.11 -2.02 -1.88 132.00 138.16 1bsr h PRO 19 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1bsr h PRO 19 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bsr h PRO 19 CO 0.43 0.10 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.18 1bsr n SER 20 N -4.38 0.02 -4.56 -2.05 3.41 -1.26 -4.74 113.62 100.06 1bsr n SER 20 Ca 0.18 0.49 -0.27 0.00 -0.26 0.00 0.00 58.87 59.01 1bsr n SER 20 Cb 0.82 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1bsr n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bsr s SER 21 N -3.02 5.10 0.55 4.04 0.15 -0.71 -4.82 113.70 114.98 1bsr s SER 21 Ca 0.14 -0.59 0.36 0.00 0.70 0.00 0.00 55.95 56.56 1bsr s SER 21 Cb 0.19 -2.56 1.79 0.00 -1.71 0.00 0.00 66.02 63.73 1bsr s SER 21 CO 0.53 -2.77 2.09 0.28 1.20 0.00 0.00 173.24 174.58 1bsr h SER 22 N 11.55 0.00 1.14 5.45 0.02 -1.89 -2.01 113.55 127.81 1bsr h SER 22 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1bsr h SER 22 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1bsr h SER 22 CO 1.20 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.35 1bsr n SER 23 N -2.90 0.73 -0.63 3.07 3.41 -1.26 -2.67 113.62 113.36 1bsr n SER 23 Ca -0.01 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1bsr n SER 23 Cb 0.16 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 63.58 1bsr n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bsr n ASN 24 N -2.23 1.86 0.13 4.04 5.15 -0.76 -4.39 115.26 119.06 1bsr n ASN 24 Ca 0.04 -1.86 -0.13 0.00 -0.60 0.00 0.00 54.58 52.03 1bsr n ASN 24 Cb 0.34 -0.18 -0.07 0.00 -0.53 0.00 0.00 39.78 39.34 1bsr n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1bsr h TYR 25 N 2.23 -0.32 -0.82 1.20 3.20 -1.65 -2.35 116.97 118.45 1bsr h TYR 25 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bsr h TYR 25 Cb 0.50 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1bsr h TYR 25 CO 0.18 -0.19 0.52 0.00 -1.64 0.00 0.00 178.16 177.03 1bsr h ASN 27 N 1.12 0.51 0.04 0.00 2.35 -1.77 -0.05 115.58 117.78 1bsr h ASN 27 Ca 0.30 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1bsr h ASN 27 Cb -0.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1bsr h ASN 27 CO -0.06 0.34 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.98 1bsr h LEU 28 N 0.64 -0.04 -0.48 1.61 3.38 -0.88 -2.98 115.31 116.56 1bsr h LEU 28 Ca 0.26 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1bsr h LEU 28 Cb 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1bsr h LEU 28 CO -0.15 0.31 0.19 0.24 0.09 0.00 0.00 178.44 179.12 1bsr h MET 29 N -0.41 0.72 -0.68 1.13 2.86 -0.84 -0.10 114.93 117.61 1bsr h MET 29 Ca -0.01 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1bsr h MET 29 Cb 0.37 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1bsr h MET 29 CO 0.01 0.65 0.19 0.52 1.06 0.00 0.00 176.91 179.33 1bsr h MET 30 N 0.63 1.07 0.52 1.72 2.86 -1.10 0.35 114.93 120.97 1bsr h MET 30 Ca 0.16 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1bsr h MET 30 Cb 0.20 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.72 1bsr h MET 30 CO -0.01 0.93 -0.25 0.00 1.06 0.00 0.00 176.91 178.64 1bsr n ARG 33 N -4.72 2.04 -3.88 0.00 5.12 0.10 -4.88 116.66 110.44 1bsr n ARG 33 Ca 0.13 -0.90 -0.29 0.00 -1.93 0.00 0.00 57.85 54.87 1bsr n ARG 33 Cb 0.25 -1.68 0.03 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.16 -5.40 -0.37 5.56 4.76 -0.74 -4.90 118.16 117.23 1bsr n LYS 34 Ca 0.09 0.60 0.09 0.00 -2.87 0.00 0.00 58.31 56.22 1bsr n LYS 34 Cb 0.56 -5.42 0.27 0.00 -1.84 0.00 0.00 35.03 28.60 1bsr n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1bsr n MET 35 N -4.62 3.04 -0.12 1.97 2.81 0.15 -4.16 117.12 116.20 1bsr n MET 35 Ca -0.02 -2.53 0.05 0.00 -1.81 0.00 0.00 57.70 53.39 1bsr n MET 35 Cb 0.55 -1.57 0.07 0.00 -0.71 0.00 0.00 33.22 31.57 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 0.98 1.24 -2.58 2.03 -2.24 -1.24 -2.13 114.28 110.35 1bsr n THR 36 Ca 0.20 -1.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.13 1bsr n THR 36 Cb 0.64 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1bsr n THR 36 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bsr s GLN 37 N -1.77 3.29 0.00 -0.78 0.74 -1.26 -4.03 119.66 115.86 1bsr s GLN 37 Ca 0.17 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1bsr s GLN 37 Cb 0.15 -4.50 0.00 0.00 1.10 0.00 0.00 33.01 29.76 1bsr s GLN 37 CO 0.02 -2.14 0.00 0.41 -0.55 0.00 0.00 175.29 173.03 1bsr n GLY 38 N 5.76 2.30 3.81 2.59 0.00 -1.26 -4.94 105.19 113.45 1bsr n GLY 38 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.48 1.33 -0.28 1.61 -2.85 -1.26 -5.05 119.74 112.75 1bsr s LYS 39 Ca 0.00 -0.80 -0.04 0.00 -1.00 0.00 0.00 55.97 54.13 1bsr s LYS 39 Cb 0.00 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1bsr s LYS 39 CO 0.00 -0.62 0.02 0.00 0.10 0.00 0.00 175.35 174.86 1bsr s LYS 41 N 1.40 4.18 0.09 0.00 2.20 -0.91 -4.90 119.74 121.80 1bsr s LYS 41 Ca 0.00 2.47 -0.19 0.00 -0.36 0.00 0.00 55.97 57.89 1bsr s LYS 41 Cb -0.18 -3.06 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 1bsr s LYS 41 CO -0.00 -0.55 1.55 -1.35 -0.36 0.00 0.00 175.35 174.64 1bsr h PRO 42 N 4.93 0.40 -3.94 4.03 0.11 -1.95 -3.44 132.00 132.15 1bsr h PRO 42 Ca -0.47 -0.11 -0.17 0.00 0.11 0.00 0.00 66.00 65.37 1bsr h PRO 42 Cb 1.22 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1bsr h PRO 42 CO 0.79 0.55 -0.68 0.08 -0.21 0.00 0.00 178.00 178.53 1bsr s VAL 43 N -5.13 0.11 -0.08 3.15 1.01 -1.26 -0.91 120.40 117.29 1bsr s VAL 43 Ca -0.14 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 1bsr s VAL 43 Cb 0.07 -0.33 0.09 0.00 0.00 0.00 0.00 36.38 36.22 1bsr s VAL 43 CO 0.74 -0.51 0.79 0.21 0.00 0.00 0.00 175.10 176.33 1bsr s ASN 44 N -1.51 -0.56 -0.05 3.32 2.47 -0.50 -5.01 114.94 113.10 1bsr s ASN 44 Ca -0.15 0.60 0.05 0.00 0.42 0.00 0.00 52.86 53.77 1bsr s ASN 44 Cb -0.09 0.46 -0.00 0.00 -1.45 0.00 0.00 41.25 40.16 1bsr s ASN 44 CO -0.01 -0.52 -0.19 -0.89 -3.72 0.00 0.00 177.10 171.77 1bsr s THR 45 N -1.21 1.58 -0.09 -5.21 2.01 -1.26 -0.87 115.64 110.58 1bsr s THR 45 Ca -0.08 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1bsr s THR 45 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1bsr s THR 45 CO 0.07 0.45 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.08 1bsr s PHE 46 N 0.05 3.14 -0.16 4.92 0.08 -0.32 -4.96 117.98 120.73 1bsr s PHE 46 Ca -0.05 0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.07 1bsr s PHE 46 Cb -0.13 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1bsr s PHE 46 CO 0.03 0.40 0.04 0.08 -0.10 0.00 0.00 175.22 175.67 1bsr s VAL 47 N -0.72 4.57 -2.07 -0.44 1.01 -1.26 -1.34 120.40 120.15 1bsr s VAL 47 Ca 0.11 -0.12 0.22 0.00 0.00 0.00 0.00 61.98 62.19 1bsr s VAL 47 Cb -0.12 -3.03 0.52 0.00 0.00 0.00 0.00 36.38 33.76 1bsr s VAL 47 CO 0.02 0.49 1.45 1.41 0.00 0.00 0.00 175.10 178.47 1bsr n HIS 48 N 3.30 0.74 -1.97 5.22 -0.00 0.29 -4.97 115.22 117.82 1bsr n HIS 48 Ca -0.17 -0.39 -0.28 0.00 -0.00 0.00 0.00 57.72 56.87 1bsr n HIS 48 Cb 0.53 -0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.61 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 -1.18 1.87 0.64 -0.41 0.41 -1.26 -4.97 118.70 113.80 1bsr s GLU 49 Ca 0.42 -0.03 -0.15 0.00 -0.41 0.00 0.00 54.97 54.80 1bsr s GLU 49 Cb 0.23 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.58 1bsr s GLU 49 CO 0.31 -1.61 1.10 -1.54 -0.49 0.00 0.00 175.26 173.04 1bsr s SER 50 N -4.60 5.27 0.37 -0.19 1.04 -1.26 -4.89 113.70 109.43 1bsr s SER 50 Ca 0.63 1.98 0.04 0.00 0.48 0.00 0.00 55.95 59.09 1bsr s SER 50 Cb -0.10 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.17 1bsr s SER 50 CO 0.48 -1.52 1.99 0.25 0.98 0.00 0.00 173.24 175.42 1bsr h LEU 51 N 0.19 0.58 -0.54 2.42 5.85 -1.97 -2.14 115.31 119.70 1bsr h LEU 51 Ca -0.47 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1bsr h LEU 51 Cb 1.24 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1bsr h LEU 51 CO 0.55 0.48 0.31 0.00 -0.34 0.00 0.00 178.44 179.43 1bsr h ALA 52 N 1.62 0.70 -0.73 1.25 0.00 -1.99 -0.24 119.26 119.87 1bsr h ALA 52 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bsr h ALA 52 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1bsr h ALA 52 CO -0.03 -0.01 0.40 -0.44 0.00 0.00 0.00 179.25 179.18 1bsr h ASP 53 N 0.60 0.91 -0.11 0.00 5.19 -1.76 -1.98 116.42 119.27 1bsr h ASP 53 Ca 0.23 -0.10 -0.16 0.00 -0.62 0.00 0.00 57.03 56.38 1bsr h ASP 53 Cb 0.07 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 1bsr h ASP 53 CO -0.12 0.74 -0.51 0.58 -3.12 0.00 0.00 179.24 176.80 1bsr h VAL 54 N 1.00 1.30 -0.44 -1.35 2.07 -1.13 -2.97 116.25 114.73 1bsr h VAL 54 Ca 0.26 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1bsr h VAL 54 Cb 0.04 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1bsr h VAL 54 CO -0.04 0.55 0.19 0.11 0.02 0.00 0.00 177.57 178.40 1bsr h LYS 55 N 0.53 0.62 0.00 1.57 1.57 -0.85 -2.36 116.57 117.65 1bsr h LYS 55 Ca 0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1bsr h LYS 55 Cb 1.07 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1bsr h LYS 55 CO 0.10 0.50 -0.04 0.00 -0.57 0.00 0.00 179.45 179.45 1bsr h ALA 56 N 1.59 1.10 0.00 3.86 0.00 -1.19 -2.88 119.26 121.74 1bsr h ALA 56 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1bsr h ALA 56 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bsr h ALA 56 CO -0.02 0.05 -0.08 0.28 0.00 0.00 0.00 179.25 179.48 1bsr h VAL 57 N 0.00 0.73 0.00 0.00 2.07 -1.46 -2.03 116.25 115.56 1bsr h VAL 57 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1bsr h VAL 57 Cb 0.26 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1bsr h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1bsr n SER 59 N -1.18 1.62 0.00 0.00 3.41 -0.76 -5.03 113.62 111.67 1bsr n SER 59 Ca 0.05 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 1bsr n SER 59 Cb 0.05 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.90 0.79 -2.23 4.33 6.02 -0.12 -5.03 117.38 120.24 1bsr n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1bsr n GLN 60 Cb 0.71 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.95 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 4.26 3.60 0.06 -1.09 2.20 -1.03 -4.86 119.74 122.89 1bsr s LYS 61 Ca 0.00 1.23 -0.31 0.00 -0.36 0.00 0.00 55.97 56.53 1bsr s LYS 61 Cb 0.00 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.20 1bsr s LYS 61 CO 0.00 -1.53 1.37 0.21 -0.36 0.00 0.00 175.35 175.04 1bsr s LYS 62 N 4.96 4.32 0.20 4.03 2.36 -1.26 -0.17 119.74 134.18 1bsr s LYS 62 Ca 0.67 1.99 -0.02 0.00 -2.55 0.00 0.00 55.97 56.05 1bsr s LYS 62 Cb -0.18 -3.40 -0.04 0.00 -1.05 0.00 0.00 37.83 33.17 1bsr s LYS 62 CO 0.31 -0.47 0.16 0.14 1.55 0.00 0.00 175.35 177.04 1bsr s VAL 63 N 1.63 0.01 0.25 4.02 -7.23 -0.42 -4.90 120.40 113.76 1bsr s VAL 63 Ca 0.63 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 1bsr s VAL 63 Cb -0.34 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1bsr s VAL 63 CO 0.29 -0.04 0.96 -0.89 -0.31 0.00 0.00 175.10 175.10 1bsr s THR 64 N -4.14 4.02 0.74 5.32 2.01 -1.26 -3.97 115.64 118.37 1bsr s THR 64 Ca 0.36 2.03 -0.11 0.00 0.31 0.00 0.00 61.69 64.28 1bsr s THR 64 Cb 0.06 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.32 1bsr s THR 64 CO 0.11 0.48 1.08 0.00 -0.69 0.00 0.00 174.62 175.60 1bsr n LYS 66 N -3.33 0.70 -3.27 0.00 5.02 -1.26 -4.74 118.16 111.28 1bsr n LYS 66 Ca 0.09 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1bsr n LYS 66 Cb 0.53 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 1bsr n LYS 66 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bsr n ASN 67 N -2.51 4.93 -4.00 4.39 3.02 -1.26 -4.97 115.26 114.86 1bsr n ASN 67 Ca -0.19 -3.41 -0.36 0.00 -0.03 0.00 0.00 54.58 50.59 1bsr n ASN 67 Cb 0.87 -0.95 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 1bsr n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bsr n GLY 68 N 1.17 -0.64 3.72 7.41 0.00 -1.26 -4.96 105.19 110.63 1bsr n GLY 68 Ca 0.28 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 1bsr n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsr n GLN 69 N -4.05 1.04 -4.53 1.61 10.64 -1.26 -5.16 117.38 115.67 1bsr n GLN 69 Ca -0.09 -2.43 -0.26 0.00 -1.83 0.00 0.00 57.00 52.39 1bsr n GLN 69 Cb 0.43 2.81 -0.08 0.00 -0.86 0.00 0.00 30.24 32.54 1bsr n GLN 69 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1bsr s THR 70 N -2.29 0.51 -1.17 -0.39 -4.23 -1.26 -4.37 115.64 102.43 1bsr s THR 70 Ca 0.20 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1bsr s THR 70 Cb -0.04 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1bsr s THR 70 CO 0.15 0.00 0.93 -3.20 -0.54 0.00 0.00 174.62 171.96 1bsr n ASN 71 N -1.45 -3.20 -4.81 3.99 5.15 -1.26 -4.68 115.26 109.00 1bsr n ASN 71 Ca -0.06 -0.69 -0.35 0.00 -0.60 0.00 0.00 54.58 52.88 1bsr n ASN 71 Cb 0.65 -4.94 -0.07 0.00 -0.53 0.00 0.00 39.78 34.89 1bsr n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bsr s TYR 73 N -1.06 1.41 -0.08 0.00 1.51 0.57 -1.29 117.35 118.41 1bsr s TYR 73 Ca 0.18 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1bsr s TYR 73 Cb -0.12 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1bsr s TYR 73 CO 0.07 0.04 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.35 1bsr s GLN 74 N -0.95 2.88 0.22 -0.62 0.74 0.76 -1.80 119.66 120.88 1bsr s GLN 74 Ca 0.04 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 1bsr s GLN 74 Cb -0.08 -2.65 -0.09 0.00 1.10 0.00 0.00 33.01 31.29 1bsr s GLN 74 CO 0.01 0.63 1.22 -1.54 -0.55 0.00 0.00 175.29 175.06 1bsr s SER 75 N -0.71 7.03 0.50 6.67 1.04 -0.45 -2.47 113.70 125.32 1bsr s SER 75 Ca 0.11 2.33 0.20 0.00 0.48 0.00 0.00 55.95 59.07 1bsr s SER 75 Cb -0.11 -2.62 1.29 0.00 0.10 0.00 0.00 66.02 64.68 1bsr s SER 75 CO 0.02 -0.39 2.08 0.07 0.98 0.00 0.00 173.24 175.99 1bsr h LYS 76 N 4.86 0.00 -5.83 4.02 2.10 -1.95 -3.43 116.57 116.33 1bsr h LYS 76 Ca -0.45 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.62 1bsr h LYS 76 Cb 1.21 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.45 1bsr h LYS 76 CO 0.73 0.11 -0.50 -1.12 -2.00 0.00 0.00 179.45 176.67 1bsr s SER 77 N -6.67 4.35 0.46 7.07 0.01 -1.26 -5.10 113.70 112.56 1bsr s SER 77 Ca -0.04 -1.16 -0.12 0.00 1.31 0.00 0.00 55.95 55.95 1bsr s SER 77 Cb 0.15 -0.36 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 1bsr s SER 77 CO 0.64 -0.58 0.85 0.42 0.41 0.00 0.00 173.24 174.97 1bsr s THR 78 N -2.64 4.73 0.06 1.44 -4.23 -1.26 -4.45 115.64 109.29 1bsr s THR 78 Ca 0.38 0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.69 1bsr s THR 78 Cb 0.04 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1bsr s THR 78 CO 0.21 -0.65 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.48 1bsr s MET 79 N -4.10 0.73 -0.08 3.99 -1.94 0.12 -4.88 119.30 113.15 1bsr s MET 79 Ca 0.53 -0.90 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 1bsr s MET 79 Cb -0.10 -0.67 -0.02 0.00 2.01 0.00 0.00 34.83 36.05 1bsr s MET 79 CO 0.34 0.14 1.08 1.03 -0.01 0.00 0.00 175.02 177.60 1bsr s ARG 80 N -1.71 4.40 0.16 2.03 0.52 -1.26 -2.24 118.95 120.85 1bsr s ARG 80 Ca -0.04 1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 56.66 1bsr s ARG 80 Cb -0.10 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1bsr s ARG 80 CO 0.02 -0.35 0.08 0.96 0.02 0.00 0.00 175.30 176.03 1bsr s ILE 81 N 2.01 0.13 -0.09 1.52 -4.36 -1.00 -0.55 121.20 118.86 1bsr s ILE 81 Ca 0.51 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1bsr s ILE 81 Cb -0.21 -2.23 0.03 0.00 1.25 0.00 0.00 42.46 41.29 1bsr s ILE 81 CO 0.20 -0.29 -0.04 -0.89 0.24 0.00 0.00 174.94 174.17 1bsr s THR 82 N -4.05 0.68 -0.18 8.37 2.01 -0.45 -2.32 115.64 119.71 1bsr s THR 82 Ca 0.30 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 1bsr s THR 82 Cb 0.07 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1bsr s THR 82 CO 0.06 0.30 0.23 -1.81 -0.69 0.00 0.00 174.62 172.71 1bsr s ASP 83 N 1.74 6.35 -0.18 3.53 1.01 0.28 -1.18 116.67 128.22 1bsr s ASP 83 Ca 0.03 0.40 -0.01 0.00 0.71 0.00 0.00 52.55 53.67 1bsr s ASP 83 Cb -0.13 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.65 1bsr s ASP 83 CO -0.06 0.13 -0.11 0.00 0.21 0.00 0.00 175.17 175.35 1bsr s ARG 85 N 1.01 1.40 0.45 0.00 3.52 -0.81 -1.41 118.95 123.11 1bsr s ARG 85 Ca -0.01 -0.36 -0.24 0.00 -0.13 0.00 0.00 55.73 54.99 1bsr s ARG 85 Cb -0.15 -1.21 -0.09 0.00 -1.56 0.00 0.00 34.95 31.95 1bsr s ARG 85 CO -0.02 0.05 1.24 0.39 -0.81 0.00 0.00 175.30 176.15 1bsr n GLU 86 N 3.65 1.77 -3.02 5.12 1.02 -0.09 -0.87 120.64 128.22 1bsr n GLU 86 Ca -0.22 0.63 -0.37 0.00 -0.02 0.00 0.00 57.16 57.19 1bsr n GLU 86 Cb 0.52 -2.37 -0.06 0.00 -0.02 0.00 0.00 31.44 29.52 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 -1.24 4.46 0.66 2.62 -4.23 0.49 -4.76 115.64 113.64 1bsr s THR 87 Ca 0.64 1.48 0.14 0.00 -1.18 0.00 0.00 61.69 62.76 1bsr s THR 87 Cb -0.49 -3.96 0.14 0.00 1.34 0.00 0.00 72.50 69.53 1bsr s THR 87 CO 0.56 0.29 1.41 1.23 -0.54 0.00 0.00 174.62 177.57 1bsr h GLY 88 N 3.65 0.00 -0.75 3.99 0.00 -1.92 0.52 103.07 108.55 1bsr h GLY 88 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1bsr h GLY 88 CO 0.65 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.93 1bsr n SER 89 N -2.69 1.70 -4.70 0.19 2.88 -1.26 -4.94 113.62 104.81 1bsr n SER 89 Ca -0.00 -1.63 -0.42 0.00 -1.33 0.00 0.00 58.87 55.48 1bsr n SER 89 Cb 0.74 -0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.11 1bsr n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1bsr s SER 90 N -1.78 7.25 -0.22 -3.46 0.15 0.18 -4.91 113.70 110.92 1bsr s SER 90 Ca 0.35 1.67 -0.05 0.00 0.70 0.00 0.00 55.95 58.62 1bsr s SER 90 Cb 0.19 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 62.05 1bsr s SER 90 CO 0.30 -0.39 0.42 -0.54 1.20 0.00 0.00 173.24 174.22 1bsr s LYS 91 N 1.55 0.35 0.17 5.44 -0.14 -1.03 -4.94 119.74 121.13 1bsr s LYS 91 Ca 0.52 0.85 -0.32 0.00 -1.36 0.00 0.00 55.97 55.65 1bsr s LYS 91 Cb -0.21 0.04 -0.16 0.00 -1.68 0.00 0.00 37.83 35.81 1bsr s LYS 91 CO 0.24 -0.42 0.99 0.98 -0.76 0.00 0.00 175.35 176.38 1bsr n TYR 92 N 5.38 0.82 0.55 3.18 9.36 -1.26 -0.24 117.16 134.95 1bsr n TYR 92 Ca -0.06 0.80 0.04 0.00 3.32 0.00 0.00 57.90 61.99 1bsr n TYR 92 Cb 0.50 -2.18 0.16 0.00 -0.63 0.00 0.00 39.34 37.18 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 1.42 2.25 -3.35 2.98 -0.04 -1.26 -4.95 135.00 132.05 1bsr n PRO 93 Ca 0.16 -1.25 -0.32 0.00 -0.04 0.00 0.00 63.50 62.05 1bsr n PRO 93 Cb 0.23 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1bsr n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bsr n ASN 94 N 0.34 4.43 -4.78 3.54 5.03 0.66 -5.06 115.26 119.42 1bsr n ASN 94 Ca 0.11 -3.41 -0.36 0.00 0.87 0.00 0.00 54.58 51.79 1bsr n ASN 94 Cb 0.48 -0.85 -0.02 0.00 -1.02 0.00 0.00 39.78 38.37 1bsr n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bsr s ALA 96 N -1.75 -0.83 0.11 0.00 0.00 -1.26 -4.93 121.76 113.10 1bsr s ALA 96 Ca 0.65 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.74 1bsr s ALA 96 Cb -0.22 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1bsr s ALA 96 CO 0.27 -0.18 -0.19 0.71 0.00 0.00 0.00 175.76 176.36 1bsr s TYR 97 N 0.56 1.70 -0.18 0.00 1.51 -1.26 -0.38 117.35 119.30 1bsr s TYR 97 Ca -0.03 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1bsr s TYR 97 Cb -0.05 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1bsr s TYR 97 CO -0.03 0.20 0.10 0.21 -1.11 0.00 0.00 175.55 174.91 1bsr s LYS 98 N -2.04 3.94 -0.25 -0.62 2.20 -0.05 -4.63 119.74 118.30 1bsr s LYS 98 Ca 0.07 -0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1bsr s LYS 98 Cb -0.09 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1bsr s LYS 98 CO 0.04 0.37 0.13 0.99 -0.36 0.00 0.00 175.35 176.52 1bsr s THR 99 N 0.12 4.93 -0.09 3.43 2.01 -1.26 -1.92 115.64 122.86 1bsr s THR 99 Ca 0.07 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1bsr s THR 99 Cb -0.12 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1bsr s THR 99 CO -0.00 0.32 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.22 1bsr s THR 100 N 1.39 1.38 -0.07 -0.82 2.01 -0.64 -4.99 115.64 113.91 1bsr s THR 100 Ca 0.06 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1bsr s THR 100 Cb -0.15 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1bsr s THR 100 CO 0.06 0.41 0.00 -1.10 -0.69 0.00 0.00 174.62 173.31 1bsr s GLN 101 N 0.76 2.95 0.34 4.92 -0.21 -1.26 -0.56 119.66 126.60 1bsr s GLN 101 Ca -0.12 -0.44 -0.17 0.00 0.02 0.00 0.00 55.36 54.65 1bsr s GLN 101 Cb -0.16 -2.77 0.04 0.00 1.00 0.00 0.00 33.01 31.11 1bsr s GLN 101 CO 0.02 0.69 0.73 0.54 -2.12 0.00 0.00 175.29 175.16 1bsr s VAL 102 N -0.92 0.00 -0.18 1.09 0.11 -0.98 -5.00 120.40 114.52 1bsr s VAL 102 Ca 0.14 -1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1bsr s VAL 102 Cb -0.11 -2.50 0.04 0.00 -1.53 0.00 0.00 36.38 32.28 1bsr s VAL 102 CO 0.04 0.00 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.14 1bsr s GLU 103 N -3.04 1.46 0.19 1.54 2.02 -1.26 -2.37 118.70 117.25 1bsr s GLU 103 Ca 0.15 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1bsr s GLU 103 Cb -0.05 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1bsr s GLU 103 CO 0.10 -0.46 0.12 0.15 0.02 0.00 0.00 175.26 175.20 1bsr s LYS 104 N 1.60 1.18 0.17 1.61 1.02 -0.95 -4.80 119.74 119.57 1bsr s LYS 104 Ca -0.00 -1.61 -0.26 0.00 0.02 0.00 0.00 55.97 54.11 1bsr s LYS 104 Cb -0.16 0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 37.34 1bsr s LYS 104 CO -0.08 -0.38 0.80 -1.01 -0.92 0.00 0.00 175.35 173.76 1bsr s HIS 105 N -4.15 3.92 0.09 3.18 3.76 -0.24 0.15 115.29 121.99 1bsr s HIS 105 Ca 0.38 1.67 0.05 0.00 -0.15 0.00 0.00 55.06 57.01 1bsr s HIS 105 Cb 0.07 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1bsr s HIS 105 CO 0.11 0.51 -0.00 0.96 -0.85 0.00 0.00 174.74 175.47 1bsr s ILE 106 N -1.14 4.01 -0.16 0.60 -4.36 -1.26 -0.86 121.20 118.03 1bsr s ILE 106 Ca 0.36 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.78 1bsr s ILE 106 Cb -0.23 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.59 1bsr s ILE 106 CO 0.27 0.13 -0.18 -0.63 0.24 0.00 0.00 174.94 174.77 1bsr s ILE 107 N -1.30 1.85 0.15 8.37 1.01 0.33 -1.34 121.20 130.27 1bsr s ILE 107 Ca 0.25 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1bsr s ILE 107 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1bsr s ILE 107 CO 0.18 0.51 -0.21 0.68 0.00 0.00 0.00 174.94 176.10 1bsr s VAL 108 N 1.33 1.91 -0.23 2.92 -7.23 -0.74 -0.24 120.40 118.10 1bsr s VAL 108 Ca 0.04 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1bsr s VAL 108 Cb -0.13 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1bsr s VAL 108 CO -0.11 -0.18 0.16 0.00 -0.31 0.00 0.00 175.10 174.66 1bsr s ALA 109 N -1.65 3.62 0.15 1.32 0.00 -0.28 -0.31 121.76 124.61 1bsr s ALA 109 Ca 0.14 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1bsr s ALA 109 Cb -0.08 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1bsr s ALA 109 CO 0.06 -0.15 0.23 0.00 0.00 0.00 0.00 175.76 175.90 1bsr s GLY 111 N -3.13 -0.09 0.00 0.00 0.00 -0.24 -4.84 107.32 99.02 1bsr s GLY 111 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1bsr s GLY 111 CO 0.27 0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.03 1bsr n GLY 112 N -0.48 -2.29 3.06 0.20 0.00 -1.26 -1.28 105.19 103.13 1bsr n GLY 112 Ca -0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.34 0.43 0.59 1.61 2.36 -1.26 -3.56 119.74 119.56 1bsr s LYS 113 Ca 0.00 0.78 -0.18 0.00 -2.55 0.00 0.00 55.97 54.01 1bsr s LYS 113 Cb 0.00 -0.01 -0.06 0.00 -1.05 0.00 0.00 37.83 36.71 1bsr s LYS 113 CO 0.00 -0.58 0.83 -2.30 1.55 0.00 0.00 175.35 174.85 1bsr n PRO 114 N 5.39 0.79 -2.22 4.03 -0.02 -1.26 -5.08 135.00 136.64 1bsr n PRO 114 Ca -0.04 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1bsr n PRO 114 Cb 0.50 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1bsr n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bsr s SER 115 N -1.21 6.81 0.26 2.55 0.15 -1.23 -4.92 113.70 116.11 1bsr s SER 115 Ca 0.73 1.97 0.03 0.00 0.70 0.00 0.00 55.95 59.38 1bsr s SER 115 Cb -0.43 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.29 1bsr s SER 115 CO 0.49 -0.84 0.04 0.68 1.20 0.00 0.00 173.24 174.81 1bsr s VAL 116 N 3.73 0.95 -0.10 4.45 -7.23 -0.40 -4.85 120.40 116.95 1bsr s VAL 116 Ca 0.64 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1bsr s VAL 116 Cb -0.28 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1bsr s VAL 116 CO 0.22 -0.15 1.42 -2.84 -0.31 0.00 0.00 175.10 173.44 1bsr s PRO 117 N -3.92 4.23 -0.04 4.82 0.02 -1.26 -1.08 135.00 137.77 1bsr s PRO 117 Ca 0.33 1.89 0.11 0.00 0.02 0.00 0.00 61.00 63.36 1bsr s PRO 117 Cb 0.07 -3.81 -0.17 0.00 0.02 0.00 0.00 34.50 30.62 1bsr s PRO 117 CO 0.12 -0.73 0.20 1.33 -0.33 0.00 0.00 177.00 177.59 1bsr n VAL 118 N 5.27 0.17 -3.89 3.83 0.24 0.17 -4.91 118.33 119.22 1bsr n VAL 118 Ca 0.15 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1bsr n VAL 118 Cb 0.44 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.70 1bsr n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1bsr s HIS 119 N -2.66 0.03 -0.23 6.34 3.76 -1.08 -5.00 115.29 116.44 1bsr s HIS 119 Ca -0.04 -0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.60 1bsr s HIS 119 Cb 0.06 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 1bsr s HIS 119 CO 0.46 -0.12 0.61 0.12 -0.85 0.00 0.00 174.74 174.96 1bsr s PHE 120 N -0.63 3.32 -0.19 1.40 2.19 -1.26 -1.13 117.98 121.69 1bsr s PHE 120 Ca -0.07 0.84 -0.16 0.00 0.33 0.00 0.00 56.93 57.86 1bsr s PHE 120 Cb -0.04 -2.80 -0.12 0.00 -1.31 0.00 0.00 43.02 38.74 1bsr s PHE 120 CO 0.00 -0.25 0.03 -3.47 1.83 0.00 0.00 175.22 173.35 1bsr n ASP 121 N 5.41 1.85 -3.66 6.13 2.03 0.66 -4.91 116.55 124.06 1bsr n ASP 121 Ca -0.01 0.50 -0.02 0.00 0.52 0.00 0.00 54.79 55.77 1bsr n ASP 121 Cb 0.49 -0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 39.97 1bsr n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bsr s ALA 122 N -2.52 -1.80 -0.03 -1.67 0.00 -0.81 -4.58 121.76 110.35 1bsr s ALA 122 Ca -0.24 0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1bsr s ALA 122 Cb 0.05 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1bsr s ALA 122 CO 0.44 -1.05 -0.20 -1.54 0.00 0.00 0.00 175.76 173.40 1bsr s SER 123 N -3.06 2.44 0.00 0.00 1.04 -1.26 -0.52 113.70 112.34 1bsr s SER 123 Ca 0.15 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1bsr s SER 123 Cb -0.00 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1bsr s SER 123 CO 0.01 0.23 0.21 0.55 0.98 0.00 0.00 173.24 175.22