#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 11ba s GLU 2 N 0.00 4.39 0.60 1.64 2.12 -1.26 -5.01 118.70 121.19 11ba s GLU 2 Ca 0.00 1.82 -0.17 0.00 0.36 0.00 0.00 54.97 56.98 11ba s GLU 2 Cb 0.00 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 11ba s GLU 2 CO 0.00 -0.34 1.10 -1.54 -0.54 0.00 0.00 175.26 173.94 11ba s SER 3 N 1.20 5.52 0.42 -1.70 1.04 -1.26 -4.86 113.70 114.06 11ba s SER 3 Ca 0.60 2.00 0.11 0.00 0.48 0.00 0.00 55.95 59.14 11ba s SER 3 Cb -0.30 -2.56 0.94 0.00 0.10 0.00 0.00 66.02 64.21 11ba s SER 3 CO 0.28 -1.35 2.00 0.00 0.98 0.00 0.00 173.24 175.15 11ba h ALA 4 N 0.56 1.89 -0.00 5.32 0.00 -1.99 -0.98 119.26 124.06 11ba h ALA 4 Ca -0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 11ba h ALA 4 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 11ba h ALA 4 CO 0.56 0.01 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 11ba h ALA 5 N 1.70 0.00 -0.99 0.00 0.00 -2.00 -1.17 119.26 116.81 11ba h ALA 5 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.94 11ba h ALA 5 Cb 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 11ba h ALA 5 CO -0.07 -0.26 0.64 0.00 0.00 0.00 0.00 179.25 179.55 11ba h ALA 6 N 0.54 1.25 -0.51 0.00 0.00 -1.88 -2.32 119.26 116.34 11ba h ALA 6 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 11ba h ALA 6 Cb 0.46 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 11ba h ALA 6 CO 0.00 0.66 0.21 -0.22 0.00 0.00 0.00 179.25 179.90 11ba h LYS 7 N 1.34 0.40 -0.63 0.00 3.64 -1.15 0.16 116.57 120.33 11ba h LYS 7 Ca 0.36 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 11ba h LYS 7 Cb -0.13 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 11ba h LYS 7 CO -0.08 0.26 0.38 0.35 -2.27 0.00 0.00 179.45 178.10 11ba h PHE 8 N 0.41 0.71 -0.15 1.91 3.04 -0.68 0.16 116.94 122.34 11ba h PHE 8 Ca 0.24 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 11ba h PHE 8 Cb 0.22 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 11ba h PHE 8 CO -0.14 0.40 0.09 0.93 -2.02 0.00 0.00 178.31 177.57 11ba h GLU 9 N 0.75 0.20 -0.38 1.11 5.08 -0.97 0.22 114.58 120.59 11ba h GLU 9 Ca 0.26 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 11ba h GLU 9 Cb 0.04 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 11ba h GLU 9 CO -0.11 0.19 0.08 -0.09 -1.00 0.00 0.00 179.01 178.08 11ba h ARG 10 N 0.16 0.20 0.00 2.33 2.43 -0.42 -2.17 114.38 116.92 11ba h ARG 10 Ca 0.05 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 11ba h ARG 10 Cb 0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 11ba h ARG 10 CO -0.01 0.13 -0.25 1.96 -1.51 0.00 0.00 179.97 180.30 11ba h GLN 11 N 0.21 0.00 0.00 0.20 4.20 -0.43 -3.41 115.11 115.88 11ba h GLN 11 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 11ba h GLN 11 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 11ba h GLN 11 CO -0.23 0.25 0.00 0.72 -0.67 0.00 0.00 178.83 178.89 11ba n HIS 12 N -3.18 0.00 -3.60 2.96 8.25 0.75 -5.04 115.22 115.36 11ba n HIS 12 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 11ba n HIS 12 Cb 0.60 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 11ba n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 11ba s MET 13 N -0.13 3.80 -0.39 -0.41 -1.94 -0.82 -4.96 119.30 114.44 11ba s MET 13 Ca 0.00 -0.42 0.09 0.00 -1.71 0.00 0.00 55.69 53.65 11ba s MET 13 Cb 0.00 -3.64 0.27 0.00 2.01 0.00 0.00 34.83 33.47 11ba s MET 13 CO 0.00 -0.24 0.58 -3.47 -0.01 0.00 0.00 175.02 171.87 11ba n ASP 14 N 5.05 0.45 -4.72 3.03 2.03 -1.26 -4.88 116.55 116.25 11ba n ASP 14 Ca -0.14 -2.79 -0.42 0.00 0.52 0.00 0.00 54.79 51.96 11ba n ASP 14 Cb 0.51 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 11ba n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 11ba s SER 15 N -1.51 6.41 0.00 1.67 0.01 -1.26 -4.91 113.70 114.12 11ba s SER 15 Ca 0.36 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.44 11ba s SER 15 Cb 0.21 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.84 11ba s SER 15 CO -0.10 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.20 11ba n GLY 16 N 3.97 0.98 0.12 3.44 0.00 -1.26 -5.02 105.19 107.42 11ba n GLY 16 Ca 0.16 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 11ba n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 11ba n ASN 17 N 0.00 1.43 -3.38 1.61 3.02 -1.26 -4.64 115.26 112.04 11ba n ASN 17 Ca 0.00 0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.32 11ba n ASN 17 Cb 0.00 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 11ba n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 11ba n SER 18 N -3.17 0.58 0.28 6.41 3.41 -1.26 -4.98 113.62 114.89 11ba n SER 18 Ca -0.37 -2.69 0.14 0.00 -0.26 0.00 0.00 58.87 55.69 11ba n SER 18 Cb 1.05 -0.62 0.80 0.00 -0.26 0.00 0.00 64.21 65.18 11ba n SER 18 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 11ba h PRO 19 N 4.86 0.00 -0.44 4.33 0.11 -1.91 -3.00 132.00 135.95 11ba h PRO 19 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 11ba h PRO 19 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 11ba h PRO 19 CO 0.49 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 11ba n SER 20 N -3.65 4.92 -4.72 -2.05 3.41 -1.26 -4.92 113.62 105.35 11ba n SER 20 Ca -0.02 -2.97 -0.42 0.00 -0.26 0.00 0.00 58.87 55.20 11ba n SER 20 Cb 0.19 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 11ba n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 11ba s SER 21 N -1.30 6.55 0.44 4.04 0.15 -1.14 -4.88 113.70 117.56 11ba s SER 21 Ca 0.49 2.65 0.28 0.00 0.70 0.00 0.00 55.95 60.08 11ba s SER 21 Cb 0.38 -2.59 1.37 0.00 -1.71 0.00 0.00 66.02 63.47 11ba s SER 21 CO 0.13 -0.86 1.67 0.77 1.20 0.00 0.00 173.24 176.15 11ba h SER 22 N 6.93 0.27 0.20 5.45 4.64 -1.93 0.41 113.55 129.51 11ba h SER 22 Ca -0.43 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 11ba h SER 22 Cb 1.20 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 11ba h SER 22 CO 0.92 -0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 175.25 11ba n SER 23 N -4.61 0.00 -0.77 4.97 3.41 -1.26 -0.75 113.62 114.61 11ba n SER 23 Ca 0.34 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 11ba n SER 23 Cb 1.31 -0.35 0.30 0.00 -0.26 0.00 0.00 64.21 65.21 11ba n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 11ba n ASN 24 N -1.35 2.37 -0.21 4.04 3.02 0.14 -4.53 115.26 118.74 11ba n ASN 24 Ca 0.04 -1.79 -0.03 0.00 -0.03 0.00 0.00 54.58 52.77 11ba n ASN 24 Cb 0.08 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.24 11ba n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 11ba h TYR 25 N 3.56 -0.73 -0.44 3.10 3.20 -1.06 -2.13 116.97 122.47 11ba h TYR 25 Ca 0.00 0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 11ba h TYR 25 Cb 0.76 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 11ba h TYR 25 CO 0.04 -0.35 -0.17 0.00 -1.64 0.00 0.00 178.16 176.04 11ba h ASN 27 N 0.75 0.68 0.01 0.00 2.35 -1.69 0.39 115.58 118.08 11ba h ASN 27 Ca 0.11 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 11ba h ASN 27 Cb 0.69 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.89 11ba h ASN 27 CO 0.05 0.74 -0.40 -0.07 -1.65 0.00 0.00 177.43 176.10 11ba h LEU 28 N 0.68 0.34 0.15 1.61 3.38 -1.14 -3.07 115.31 117.25 11ba h LEU 28 Ca 0.14 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 11ba h LEU 28 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 11ba h LEU 28 CO 0.01 1.09 -0.07 0.24 0.09 0.00 0.00 178.44 179.80 11ba h MET 29 N -0.37 -0.19 -0.35 1.13 2.86 -1.03 0.20 114.93 117.18 11ba h MET 29 Ca -0.05 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 11ba h MET 29 Cb 1.16 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 11ba h MET 29 CO 0.08 -0.04 0.26 0.52 1.06 0.00 0.00 176.91 178.78 11ba h MET 30 N -0.30 0.00 0.04 1.72 2.86 -1.05 0.10 114.93 118.30 11ba h MET 30 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 11ba h MET 30 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 11ba h MET 30 CO 0.03 0.00 -0.28 0.00 1.06 0.00 0.00 176.91 177.72 11ba n ARG 33 N -4.96 1.33 -2.47 0.00 5.12 0.27 -4.86 116.66 111.10 11ba n ARG 33 Ca 0.07 -0.44 -0.14 0.00 -1.93 0.00 0.00 57.85 55.41 11ba n ARG 33 Cb 0.21 -1.18 0.01 0.00 -1.16 0.00 0.00 32.46 30.34 11ba n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 11ba n LYS 34 N -0.11 -1.97 -0.74 5.56 4.76 -0.81 -4.93 118.16 119.92 11ba n LYS 34 Ca 0.04 0.61 0.08 0.00 -2.87 0.00 0.00 58.31 56.17 11ba n LYS 34 Cb 0.15 -4.81 0.36 0.00 -1.84 0.00 0.00 35.03 28.89 11ba n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 11ba n MET 35 N -2.51 4.23 -0.78 1.97 2.81 -0.39 -4.33 117.12 118.12 11ba n MET 35 Ca -0.12 -3.06 0.05 0.00 -1.81 0.00 0.00 57.70 52.77 11ba n MET 35 Cb 0.60 -2.12 0.13 0.00 -0.71 0.00 0.00 33.22 31.12 11ba n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 11ba n THR 36 N 0.25 1.35 -3.79 2.03 -2.24 -1.21 -2.58 114.28 108.10 11ba n THR 36 Ca 0.26 -2.21 -0.36 0.00 -2.27 0.00 0.00 64.05 59.46 11ba n THR 36 Cb 1.09 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 11ba n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 11ba s GLN 37 N -2.00 3.86 0.00 -0.78 -0.21 -1.26 -4.57 119.66 114.70 11ba s GLN 37 Ca 0.33 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.33 11ba s GLN 37 Cb 0.34 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.96 11ba s GLN 37 CO -0.08 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 11ba n GLY 38 N 4.48 1.79 3.59 3.09 0.00 -1.26 -4.84 105.19 112.04 11ba n GLY 38 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 11ba n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 11ba s LYS 39 N 0.00 1.39 -0.27 1.61 2.20 -1.26 -5.07 119.74 118.33 11ba s LYS 39 Ca 0.00 -0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 54.85 11ba s LYS 39 Cb 0.00 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 11ba s LYS 39 CO 0.00 -0.62 0.27 0.00 -0.36 0.00 0.00 175.35 174.64 11ba s LYS 41 N 1.81 4.23 0.08 0.00 2.20 -1.06 -4.92 119.74 122.08 11ba s LYS 41 Ca 0.11 2.22 -0.15 0.00 -0.36 0.00 0.00 55.97 57.78 11ba s LYS 41 Cb -0.16 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.54 11ba s LYS 41 CO 0.10 -0.65 1.33 -1.35 -0.36 0.00 0.00 175.35 174.42 11ba h PRO 42 N 7.83 0.66 -5.13 4.03 0.11 -1.92 -3.43 132.00 134.15 11ba h PRO 42 Ca -0.41 -0.44 -0.45 0.00 0.11 0.00 0.00 66.00 64.80 11ba h PRO 42 Cb 1.20 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 11ba h PRO 42 CO 0.91 1.06 -0.80 0.08 -0.21 0.00 0.00 178.00 179.05 11ba s VAL 43 N -3.99 0.99 -0.29 3.15 1.01 -1.26 -1.26 120.40 118.75 11ba s VAL 43 Ca -0.12 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 11ba s VAL 43 Cb 0.08 -0.84 0.12 0.00 0.00 0.00 0.00 36.38 35.73 11ba s VAL 43 CO 0.84 0.22 0.78 0.21 0.00 0.00 0.00 175.10 177.16 11ba s ASN 44 N -0.45 -0.84 -0.11 3.32 2.47 -0.78 -5.01 114.94 113.54 11ba s ASN 44 Ca 0.04 1.28 -0.02 0.00 0.42 0.00 0.00 52.86 54.58 11ba s ASN 44 Cb -0.05 1.56 -0.03 0.00 -1.45 0.00 0.00 41.25 41.27 11ba s ASN 44 CO -0.00 -0.19 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.27 11ba s THR 45 N 1.90 4.06 -0.08 -5.21 2.01 -1.26 -1.22 115.64 115.83 11ba s THR 45 Ca -0.08 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 11ba s THR 45 Cb -0.06 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 11ba s THR 45 CO -0.18 0.56 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.94 11ba s PHE 46 N -0.37 3.14 -0.13 4.92 0.08 0.26 -4.95 117.98 120.92 11ba s PHE 46 Ca 0.06 0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 11ba s PHE 46 Cb -0.12 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 11ba s PHE 46 CO 0.02 0.45 -0.07 0.08 -0.10 0.00 0.00 175.22 175.60 11ba s VAL 47 N -0.86 3.59 -2.30 -0.44 1.01 -1.26 -0.33 120.40 119.81 11ba s VAL 47 Ca 0.13 -0.48 0.23 0.00 0.00 0.00 0.00 61.98 61.86 11ba s VAL 47 Cb -0.11 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.77 11ba s VAL 47 CO 0.02 0.52 1.13 1.41 0.00 0.00 0.00 175.10 178.18 11ba n HIS 48 N 3.33 0.00 -1.23 5.22 -0.00 0.17 -4.93 115.22 117.77 11ba n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 11ba n HIS 48 Cb 0.53 -0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.66 11ba n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 11ba s GLU 49 N -2.35 1.01 0.84 -0.41 0.41 -1.25 -5.01 118.70 111.94 11ba s GLU 49 Ca 0.21 0.67 -0.11 0.00 -0.41 0.00 0.00 54.97 55.33 11ba s GLU 49 Cb 0.19 -1.79 0.09 0.00 -1.78 0.00 0.00 34.13 30.84 11ba s GLU 49 CO 0.50 -2.37 1.09 -1.54 -0.49 0.00 0.00 175.26 172.45 11ba s SER 50 N -3.50 4.00 0.27 -0.19 1.04 -1.26 -4.88 113.70 109.17 11ba s SER 50 Ca 0.64 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 11ba s SER 50 Cb -0.18 -2.24 0.35 0.00 0.10 0.00 0.00 66.02 64.06 11ba s SER 50 CO 0.57 -2.31 1.85 0.25 0.98 0.00 0.00 173.24 174.57 11ba h LEU 51 N -1.32 0.89 -0.71 2.42 5.85 -1.97 -2.44 115.31 118.02 11ba h LEU 51 Ca -0.47 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 11ba h LEU 51 Cb 1.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 11ba h LEU 51 CO 0.55 0.80 0.24 0.00 -0.34 0.00 0.00 178.44 179.69 11ba h ALA 52 N 1.33 0.93 -0.05 1.25 0.00 -1.99 0.22 119.26 120.97 11ba h ALA 52 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 11ba h ALA 52 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 11ba h ALA 52 CO -0.02 0.60 -0.19 -0.44 0.00 0.00 0.00 179.25 179.20 11ba h ASP 53 N 1.04 0.07 0.28 0.00 5.19 -1.83 -1.99 116.42 119.18 11ba h ASP 53 Ca 0.23 -0.02 -0.34 0.00 -0.62 0.00 0.00 57.03 56.29 11ba h ASP 53 Cb 0.28 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 39.79 11ba h ASP 53 CO -0.01 0.27 -1.55 0.58 -3.12 0.00 0.00 179.24 175.41 11ba h VAL 54 N 0.08 1.20 -0.54 -1.35 2.07 -0.91 -3.33 116.25 113.47 11ba h VAL 54 Ca 0.01 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 11ba h VAL 54 Cb 0.38 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 11ba h VAL 54 CO 0.03 0.83 0.27 0.11 0.02 0.00 0.00 177.57 178.82 11ba h LYS 55 N 0.13 0.75 -0.02 1.57 1.57 -0.39 -0.83 116.57 119.34 11ba h LYS 55 Ca -0.27 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 11ba h LYS 55 Cb 2.14 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 11ba h LYS 55 CO 0.24 0.57 0.03 0.00 -0.57 0.00 0.00 179.45 179.73 11ba h ALA 56 N 1.55 1.41 0.00 3.86 0.00 -1.47 -1.85 119.26 122.75 11ba h ALA 56 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 11ba h ALA 56 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 11ba h ALA 56 CO -0.03 -0.05 -0.03 0.28 0.00 0.00 0.00 179.25 179.42 11ba h VAL 57 N 0.00 0.14 0.00 0.00 2.07 -1.26 -2.17 116.25 115.03 11ba h VAL 57 Ca 0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 11ba h VAL 57 Cb 0.08 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 11ba h VAL 57 CO -0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 11ba n SER 59 N -1.09 2.34 0.00 0.00 7.64 -0.81 -5.04 113.62 116.65 11ba n SER 59 Ca 0.12 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.47 11ba n SER 59 Cb 0.09 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 11ba n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 11ba n GLN 60 N -0.84 3.48 -2.03 1.43 6.02 -0.60 -5.03 117.38 119.82 11ba n GLN 60 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 11ba n GLN 60 Cb 0.47 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 11ba n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 11ba s LYS 61 N 4.18 3.67 0.12 -1.09 2.20 -1.21 -4.85 119.74 122.76 11ba s LYS 61 Ca 0.00 1.69 -0.30 0.00 -0.36 0.00 0.00 55.97 57.00 11ba s LYS 61 Cb 0.00 -4.10 -0.07 0.00 -1.51 0.00 0.00 37.83 32.15 11ba s LYS 61 CO 0.00 -1.45 1.16 0.21 -0.36 0.00 0.00 175.35 174.91 11ba s LYS 62 N 4.98 4.50 0.12 4.03 2.20 -1.26 -0.67 119.74 133.64 11ba s LYS 62 Ca 0.76 1.76 -0.03 0.00 -0.36 0.00 0.00 55.97 58.09 11ba s LYS 62 Cb -0.26 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 11ba s LYS 62 CO 0.31 -0.11 0.10 0.14 -0.36 0.00 0.00 175.35 175.43 11ba s VAL 63 N 0.42 0.12 0.26 4.02 -7.23 0.76 -4.93 120.40 113.83 11ba s VAL 63 Ca 0.54 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 11ba s VAL 63 Cb -0.30 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 11ba s VAL 63 CO 0.32 -0.56 0.78 -0.89 -0.31 0.00 0.00 175.10 174.45 11ba s THR 64 N -3.99 4.49 0.70 5.32 2.01 -1.26 -3.21 115.64 119.70 11ba s THR 64 Ca 0.18 1.38 -0.11 0.00 0.31 0.00 0.00 61.69 63.45 11ba s THR 64 Cb 0.06 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.72 11ba s THR 64 CO -0.02 0.15 1.07 0.00 -0.69 0.00 0.00 174.62 175.12 11ba h LYS 66 N -0.68 0.00 -0.34 0.00 1.57 -1.90 -2.13 116.57 113.08 11ba h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 11ba h LYS 66 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 11ba h LYS 66 CO 0.60 0.18 0.00 0.27 -0.57 0.00 0.00 179.45 179.93 11ba n ASN 67 N -3.62 1.75 0.00 0.86 0.23 -1.26 -4.90 115.26 108.32 11ba n ASN 67 Ca -0.01 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 11ba n ASN 67 Cb 0.31 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 11ba n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 11ba n GLY 68 N 0.96 0.80 3.72 4.83 0.00 -0.80 -5.07 105.19 109.64 11ba n GLY 68 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 11ba n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 11ba s GLN 69 N -0.73 1.50 0.00 1.61 -0.21 -1.26 -4.72 119.66 115.85 11ba s GLN 69 Ca 0.00 1.03 0.04 0.00 0.02 0.00 0.00 55.36 56.45 11ba s GLN 69 Cb 0.00 -1.82 0.04 0.00 1.00 0.00 0.00 33.01 32.23 11ba s GLN 69 CO 0.00 -2.13 0.67 0.25 -2.12 0.00 0.00 175.29 171.95 11ba n THR 70 N -3.84 0.11 -0.39 -0.19 -2.24 -1.26 -0.12 114.28 106.34 11ba n THR 70 Ca 0.08 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 11ba n THR 70 Cb 0.54 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.83 11ba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 11ba n ASN 71 N 0.16 4.92 -4.70 3.42 6.94 -1.26 -4.64 115.26 120.10 11ba n ASN 71 Ca 0.02 -2.81 -0.31 0.00 -0.02 0.00 0.00 54.58 51.47 11ba n ASN 71 Cb 0.11 -0.87 -0.08 0.00 -2.36 0.00 0.00 39.78 36.58 11ba n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 11ba s TYR 73 N -1.25 0.51 -0.16 0.00 1.51 0.03 -0.17 117.35 117.82 11ba s TYR 73 Ca 0.24 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.07 11ba s TYR 73 Cb -0.12 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 11ba s TYR 73 CO 0.16 -0.03 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.36 11ba s GLN 74 N -0.55 3.48 0.50 -0.62 0.74 0.15 -1.45 119.66 121.92 11ba s GLN 74 Ca -0.02 -0.61 -0.23 0.00 0.05 0.00 0.00 55.36 54.55 11ba s GLN 74 Cb -0.04 -2.84 -0.07 0.00 1.10 0.00 0.00 33.01 31.16 11ba s GLN 74 CO -0.00 0.10 1.24 -1.13 -0.55 0.00 0.00 175.29 174.95 11ba n SER 75 N 3.90 2.21 0.07 6.67 3.41 -0.25 -3.34 113.62 126.29 11ba n SER 75 Ca -0.18 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.31 11ba n SER 75 Cb 0.52 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 62.94 11ba n SER 75 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 11ba h LYS 76 N 1.50 0.37 -6.20 4.33 3.64 -1.95 -3.44 116.57 114.82 11ba h LYS 76 Ca -0.49 -0.38 -0.52 0.00 -1.27 0.00 0.00 60.65 57.98 11ba h LYS 76 Cb 1.31 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 11ba h LYS 76 CO 0.57 1.06 -0.57 -1.12 -2.27 0.00 0.00 179.45 177.11 11ba s SER 77 N -7.04 5.14 0.57 4.20 0.01 -1.26 -5.08 113.70 110.24 11ba s SER 77 Ca -0.05 -0.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 11ba s SER 77 Cb 0.09 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.09 11ba s SER 77 CO 0.86 -0.03 1.04 0.42 0.41 0.00 0.00 173.24 175.94 11ba s THR 78 N -2.21 4.01 0.05 1.44 -4.23 -1.26 -4.49 115.64 108.94 11ba s THR 78 Ca 0.32 0.97 0.04 0.00 -1.18 0.00 0.00 61.69 61.84 11ba s THR 78 Cb -0.07 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 11ba s THR 78 CO 0.23 -0.54 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.61 11ba s MET 79 N -4.03 0.72 -0.29 3.99 -1.94 0.21 -4.86 119.30 113.10 11ba s MET 79 Ca 0.62 -0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 53.55 11ba s MET 79 Cb -0.14 -0.65 -0.01 0.00 2.01 0.00 0.00 34.83 36.03 11ba s MET 79 CO 0.34 0.15 1.55 1.03 -0.01 0.00 0.00 175.02 178.09 11ba s ARG 80 N -1.38 3.69 0.14 2.03 0.52 -1.26 -2.18 118.95 120.50 11ba s ARG 80 Ca -0.03 1.40 -0.01 0.00 -0.52 0.00 0.00 55.73 56.57 11ba s ARG 80 Cb -0.09 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 11ba s ARG 80 CO 0.01 -1.42 0.06 0.96 0.02 0.00 0.00 175.30 174.93 11ba s ILE 81 N 5.41 0.14 -0.08 1.52 -4.36 -0.94 0.44 121.20 123.33 11ba s ILE 81 Ca 0.68 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 11ba s ILE 81 Cb -0.21 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.43 11ba s ILE 81 CO 0.30 -0.42 -0.09 -0.89 0.24 0.00 0.00 174.94 174.07 11ba s THR 82 N -4.03 1.01 -0.13 8.37 2.01 0.56 -1.71 115.64 121.72 11ba s THR 82 Ca 0.25 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 11ba s THR 82 Cb 0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 11ba s THR 82 CO 0.03 0.35 0.42 -1.81 -0.69 0.00 0.00 174.62 172.92 11ba s ASP 83 N 1.19 6.61 -0.31 3.53 1.01 0.14 -0.57 116.67 128.26 11ba s ASP 83 Ca -0.05 0.72 -0.04 0.00 0.71 0.00 0.00 52.55 53.89 11ba s ASP 83 Cb -0.14 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.58 11ba s ASP 83 CO -0.02 0.03 0.04 0.00 0.21 0.00 0.00 175.17 175.43 11ba s ARG 85 N 1.34 2.76 0.33 0.00 0.52 -0.68 -1.87 118.95 121.35 11ba s ARG 85 Ca -0.03 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.02 11ba s ARG 85 Cb -0.19 -2.20 -0.12 0.00 0.52 0.00 0.00 34.95 32.95 11ba s ARG 85 CO 0.01 0.28 1.27 -1.91 0.02 0.00 0.00 175.30 174.97 11ba n GLU 86 N 3.24 2.06 -2.30 3.54 2.13 -0.39 -0.21 120.64 128.71 11ba n GLU 86 Ca -0.18 0.72 -0.25 0.00 0.66 0.00 0.00 57.16 58.11 11ba n GLU 86 Cb 0.52 -2.29 0.06 0.00 0.27 0.00 0.00 31.44 30.00 11ba n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 11ba s THR 87 N -1.03 2.40 0.38 6.31 -4.23 0.13 -4.76 115.64 114.83 11ba s THR 87 Ca 0.56 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 11ba s THR 87 Cb -0.58 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.43 11ba s THR 87 CO 0.61 -0.01 1.94 1.23 -0.54 0.00 0.00 174.62 177.85 11ba h GLY 88 N -0.44 0.44 2.00 3.99 0.00 -1.95 -2.65 103.07 104.47 11ba h GLY 88 Ca -0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 11ba h GLY 88 CO 0.59 0.22 -0.04 1.76 0.00 0.00 0.00 176.54 179.07 11ba h SER 89 N 0.40 0.00 -2.89 0.19 0.02 -1.94 -3.45 113.55 105.88 11ba h SER 89 Ca 0.09 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.52 11ba h SER 89 Cb 0.24 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.81 11ba h SER 89 CO 0.00 0.04 0.82 -0.55 -1.14 0.00 0.00 176.83 176.00 11ba s SER 90 N -5.78 6.70 -0.23 3.07 0.15 -1.00 -4.93 113.70 111.67 11ba s SER 90 Ca 0.01 2.47 -0.06 0.00 0.70 0.00 0.00 55.95 59.07 11ba s SER 90 Cb 0.09 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.93 11ba s SER 90 CO 0.56 -0.75 0.46 -0.54 1.20 0.00 0.00 173.24 174.17 11ba s LYS 91 N 1.25 0.39 0.32 5.44 1.02 -0.76 -4.90 119.74 122.50 11ba s LYS 91 Ca 0.68 0.99 -0.28 0.00 0.02 0.00 0.00 55.97 57.38 11ba s LYS 91 Cb -0.40 0.26 -0.13 0.00 -0.52 0.00 0.00 37.83 37.04 11ba s LYS 91 CO 0.31 -0.36 1.16 0.98 -0.92 0.00 0.00 175.35 176.52 11ba n TYR 92 N 5.40 1.80 1.57 3.18 9.36 -1.26 0.17 117.16 137.38 11ba n TYR 92 Ca -0.07 0.62 0.03 0.00 3.32 0.00 0.00 57.90 61.79 11ba n TYR 92 Cb 0.50 -2.34 0.09 0.00 -0.63 0.00 0.00 39.34 36.96 11ba n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 11ba n PRO 93 N 0.60 1.32 -2.62 2.98 -0.02 -1.26 -4.95 135.00 131.05 11ba n PRO 93 Ca 0.07 -0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 60.64 11ba n PRO 93 Cb 0.34 -1.12 0.01 0.00 -0.02 0.00 0.00 33.50 32.71 11ba n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 11ba n ASN 94 N -0.12 7.02 -4.75 2.55 3.02 0.45 -5.00 115.26 118.42 11ba n ASN 94 Ca 0.05 -3.48 -0.41 0.00 -0.03 0.00 0.00 54.58 50.72 11ba n ASN 94 Cb 0.12 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.00 11ba n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 11ba s ALA 96 N -0.68 -0.26 0.08 0.00 0.00 -1.26 -4.93 121.76 114.70 11ba s ALA 96 Ca 0.49 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.91 11ba s ALA 96 Cb -0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 11ba s ALA 96 CO 0.41 -0.07 -0.21 0.71 0.00 0.00 0.00 175.76 176.60 11ba s TYR 97 N 0.29 1.84 0.04 0.00 2.02 -1.26 -0.70 117.35 119.58 11ba s TYR 97 Ca -0.02 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.06 11ba s TYR 97 Cb -0.03 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.43 11ba s TYR 97 CO -0.01 0.17 0.64 0.21 -1.57 0.00 0.00 175.55 174.99 11ba s LYS 98 N -1.64 4.36 -0.27 -0.62 2.20 0.71 -4.65 119.74 119.83 11ba s LYS 98 Ca 0.07 0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 56.40 11ba s LYS 98 Cb -0.10 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 11ba s LYS 98 CO 0.03 0.42 0.27 0.99 -0.36 0.00 0.00 175.35 176.71 11ba s THR 99 N -0.43 5.25 -0.09 3.43 2.01 -1.26 -1.69 115.64 122.86 11ba s THR 99 Ca 0.33 0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.70 11ba s THR 99 Cb -0.19 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.73 11ba s THR 99 CO 0.20 0.22 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.33 11ba s THR 100 N 1.83 1.23 -0.26 -0.82 2.01 -0.33 -4.98 115.64 114.31 11ba s THR 100 Ca 0.11 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 11ba s THR 100 Cb -0.16 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 11ba s THR 100 CO 0.10 0.38 0.14 -1.10 -0.69 0.00 0.00 174.62 173.45 11ba s GLN 101 N 0.93 3.83 0.28 4.92 -0.21 -1.26 0.28 119.66 128.44 11ba s GLN 101 Ca -0.09 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 54.93 11ba s GLN 101 Cb -0.15 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 11ba s GLN 101 CO 0.00 -0.17 0.13 0.14 -2.12 0.00 0.00 175.29 173.28 11ba s VAL 102 N 1.66 0.40 -0.28 1.09 -7.23 -0.69 -5.02 120.40 110.32 11ba s VAL 102 Ca 0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 11ba s VAL 102 Cb -0.15 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.31 11ba s VAL 102 CO 0.08 0.00 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.25 11ba s GLU 103 N -3.92 1.46 0.11 4.82 2.02 -1.26 -2.20 118.70 119.73 11ba s GLU 103 Ca 0.36 -1.26 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 11ba s GLU 103 Cb 0.06 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 11ba s GLU 103 CO 0.16 -0.76 0.07 0.15 0.02 0.00 0.00 175.26 174.90 11ba s LYS 104 N 1.29 0.86 0.26 1.61 1.02 -0.93 -4.79 119.74 119.06 11ba s LYS 104 Ca 0.01 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 11ba s LYS 104 Cb -0.19 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 11ba s LYS 104 CO -0.10 -0.24 1.06 -1.01 -0.92 0.00 0.00 175.35 174.14 11ba s HIS 105 N -3.98 3.68 0.20 3.18 3.76 0.56 0.65 115.29 123.34 11ba s HIS 105 Ca 0.16 1.75 0.05 0.00 -0.15 0.00 0.00 55.06 56.87 11ba s HIS 105 Cb 0.07 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 11ba s HIS 105 CO -0.03 -0.30 0.24 0.96 -0.85 0.00 0.00 174.74 174.75 11ba s ILE 106 N -1.09 4.85 -0.21 0.60 -4.36 -1.26 -0.27 121.20 119.46 11ba s ILE 106 Ca 0.44 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 11ba s ILE 106 Cb -0.30 -3.55 0.05 0.00 1.25 0.00 0.00 42.46 39.90 11ba s ILE 106 CO 0.38 -0.21 -0.07 -0.63 0.24 0.00 0.00 174.94 174.65 11ba s ILE 107 N -1.89 1.45 0.23 8.37 1.01 -0.40 -1.08 121.20 128.88 11ba s ILE 107 Ca 0.33 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 60.07 11ba s ILE 107 Cb -0.10 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 11ba s ILE 107 CO 0.26 0.04 -0.01 0.68 0.00 0.00 0.00 174.94 175.92 11ba s VAL 108 N 1.46 3.52 -0.00 2.92 -7.23 -0.53 0.81 120.40 121.35 11ba s VAL 108 Ca -0.03 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.25 11ba s VAL 108 Cb -0.17 -2.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 11ba s VAL 108 CO -0.07 -0.27 0.45 0.00 -0.31 0.00 0.00 175.10 174.90 11ba s ALA 109 N -2.07 3.64 0.04 1.32 0.00 -0.43 -0.79 121.76 123.47 11ba s ALA 109 Ca 0.29 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.15 11ba s ALA 109 Cb -0.08 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 11ba s ALA 109 CO 0.19 0.38 -0.14 0.00 0.00 0.00 0.00 175.76 176.19 11ba s GLY 111 N -1.55 0.61 0.00 0.00 0.00 0.54 -4.87 107.32 102.06 11ba s GLY 111 Ca 0.16 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.98 11ba s GLY 111 CO 0.07 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.23 11ba n GLY 112 N -0.47 -1.69 2.78 0.20 0.00 -1.26 -1.45 105.19 103.30 11ba n GLY 112 Ca -0.03 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 11ba n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 11ba s LYS 113 N 0.00 0.14 1.02 1.61 2.47 -1.26 -2.91 119.74 120.80 11ba s LYS 113 Ca 0.00 0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.62 11ba s LYS 113 Cb 0.00 -0.92 0.20 0.00 -1.46 0.00 0.00 37.83 35.65 11ba s LYS 113 CO 0.00 -0.54 1.10 -1.25 0.16 0.00 0.00 175.35 174.82 11ba s PRO 114 N 2.31 0.21 -0.33 4.03 0.04 -1.26 -5.07 135.00 134.93 11ba s PRO 114 Ca 0.05 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 11ba s PRO 114 Cb -0.14 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.76 11ba s PRO 114 CO -0.10 -3.10 1.02 0.45 0.04 0.00 0.00 177.00 175.31 11ba s SER 115 N -2.58 6.86 0.21 6.66 0.15 -1.15 -4.88 113.70 118.97 11ba s SER 115 Ca 0.68 0.93 0.04 0.00 0.70 0.00 0.00 55.95 58.29 11ba s SER 115 Cb -0.24 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 11ba s SER 115 CO 0.61 -0.85 -0.03 0.68 1.20 0.00 0.00 173.24 174.84 11ba s VAL 116 N 3.56 1.11 0.22 4.45 -7.23 -0.53 -4.84 120.40 117.13 11ba s VAL 116 Ca 0.43 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 11ba s VAL 116 Cb -0.12 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 11ba s VAL 116 CO 0.16 -0.44 1.53 -2.84 -0.31 0.00 0.00 175.10 173.20 11ba s PRO 117 N -3.82 4.21 0.00 4.82 0.02 -1.26 -0.34 135.00 138.63 11ba s PRO 117 Ca 0.25 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.66 11ba s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.45 11ba s PRO 117 CO 0.07 -0.55 0.00 1.33 -0.33 0.00 0.00 177.00 177.51 11ba n VAL 118 N 3.12 0.00 -3.69 3.83 0.24 0.13 -4.84 118.33 117.12 11ba n VAL 118 Ca 0.11 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 11ba n VAL 118 Cb 0.39 0.99 -0.09 0.00 -1.47 0.00 0.00 33.84 33.66 11ba n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 11ba s HIS 119 N -0.74 -0.46 -0.23 6.34 5.65 -1.19 -4.98 115.29 119.68 11ba s HIS 119 Ca 0.00 1.01 -0.10 0.00 0.25 0.00 0.00 55.06 56.21 11ba s HIS 119 Cb 0.00 0.20 -0.05 0.00 -1.18 0.00 0.00 32.58 31.55 11ba s HIS 119 CO 0.00 -0.35 0.15 0.12 -0.65 0.00 0.00 174.74 174.01 11ba s PHE 120 N -0.39 3.32 -0.20 3.88 2.19 -1.26 -1.32 117.98 124.20 11ba s PHE 120 Ca -0.05 0.21 0.07 0.00 0.33 0.00 0.00 56.93 57.49 11ba s PHE 120 Cb -0.03 -2.24 -0.17 0.00 -1.31 0.00 0.00 43.02 39.26 11ba s PHE 120 CO 0.03 0.09 -0.09 -3.47 1.83 0.00 0.00 175.22 173.61 11ba n ASP 121 N 4.17 1.62 0.00 6.13 2.03 0.24 -4.93 116.55 125.81 11ba n ASP 121 Ca -0.15 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.09 11ba n ASP 121 Cb 0.52 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 11ba n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 11ba n ALA 122 N -2.94 0.00 -2.73 -1.67 0.00 -1.12 -4.90 120.51 107.15 11ba n ALA 122 Ca -0.35 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 11ba n ALA 122 Cb 0.98 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.31 11ba n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 11ba s SER 123 N 0.00 1.52 0.00 0.00 1.04 -1.26 -1.27 113.70 113.73 11ba s SER 123 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 11ba s SER 123 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 11ba s SER 123 CO 0.00 -0.09 0.04 1.33 0.98 0.00 0.00 173.24 175.50