#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y92 s GLU 2 N 0.00 4.14 0.86 1.97 2.12 -1.26 -5.07 118.70 121.46 1y92 s GLU 2 Ca 0.00 0.00 -0.12 0.00 0.36 0.00 0.00 54.97 55.22 1y92 s GLU 2 Cb 0.00 -3.53 0.11 0.00 0.26 0.00 0.00 34.13 30.97 1y92 s GLU 2 CO 0.00 0.03 1.10 -1.54 -0.54 0.00 0.00 175.26 174.31 1y92 s SER 3 N 0.98 3.86 0.24 -1.70 1.04 -1.26 -4.83 113.70 112.04 1y92 s SER 3 Ca 0.14 1.33 -0.05 0.00 0.48 0.00 0.00 55.95 57.86 1y92 s SER 3 Cb -0.14 -2.03 0.26 0.00 0.10 0.00 0.00 66.02 64.22 1y92 s SER 3 CO 0.06 -2.37 1.80 0.00 0.98 0.00 0.00 173.24 173.71 1y92 h ALA 4 N -1.37 1.12 -0.35 5.32 0.00 -1.99 -0.91 119.26 121.09 1y92 h ALA 4 Ca -0.49 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1y92 h ALA 4 Cb 1.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1y92 h ALA 4 CO 0.58 0.62 0.05 0.00 0.00 0.00 0.00 179.25 180.49 1y92 h ALA 5 N 1.25 0.46 -0.56 0.00 0.00 -2.00 -1.83 119.26 116.57 1y92 h ALA 5 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1y92 h ALA 5 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1y92 h ALA 5 CO -0.01 0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.53 1y92 h ALA 6 N 0.90 1.17 -0.51 0.00 0.00 -1.87 -1.88 119.26 117.07 1y92 h ALA 6 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1y92 h ALA 6 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1y92 h ALA 6 CO 0.01 0.56 0.14 -0.22 0.00 0.00 0.00 179.25 179.74 1y92 h LYS 7 N 0.84 0.81 -0.69 0.00 3.64 -0.98 -1.05 116.57 119.14 1y92 h LYS 7 Ca 0.18 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1y92 h LYS 7 Cb 0.31 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1y92 h LYS 7 CO 0.00 0.77 0.45 0.35 -2.27 0.00 0.00 179.45 178.76 1y92 h PHE 8 N 0.71 0.87 -0.54 1.91 3.04 -0.92 -0.35 116.94 121.65 1y92 h PHE 8 Ca 0.16 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1y92 h PHE 8 Cb 0.32 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1y92 h PHE 8 CO 0.02 0.55 0.21 0.93 -2.02 0.00 0.00 178.31 178.00 1y92 h GLU 9 N 0.93 0.81 -0.40 1.11 5.08 -1.06 0.93 114.58 121.99 1y92 h GLU 9 Ca 0.25 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1y92 h GLU 9 Cb -0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1y92 h GLU 9 CO -0.05 0.71 0.01 -0.09 -1.00 0.00 0.00 179.01 178.59 1y92 h ARG 10 N 0.74 0.69 0.00 2.33 2.43 -0.81 -1.96 114.38 117.80 1y92 h ARG 10 Ca 0.18 -0.21 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1y92 h ARG 10 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1y92 h ARG 10 CO -0.01 0.77 -1.04 1.96 -1.51 0.00 0.00 179.97 180.14 1y92 h GLN 11 N 0.52 0.00 0.00 0.20 4.20 -0.98 -3.41 115.11 115.64 1y92 h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1y92 h GLN 11 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1y92 h GLN 11 CO 0.02 0.93 0.00 0.72 -0.67 0.00 0.00 178.83 179.83 1y92 n HIS 12 N -3.32 0.00 -3.91 2.96 8.25 0.31 -5.05 115.22 114.47 1y92 n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1y92 n HIS 12 Cb 0.94 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.96 1y92 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1y92 s MET 13 N -0.69 4.04 -0.43 -0.41 -1.94 -0.74 -4.97 119.30 114.16 1y92 s MET 13 Ca 0.00 -0.31 0.08 0.00 -1.71 0.00 0.00 55.69 53.75 1y92 s MET 13 Cb 0.00 -3.29 0.28 0.00 2.01 0.00 0.00 34.83 33.84 1y92 s MET 13 CO 0.00 0.27 0.82 -3.47 -0.01 0.00 0.00 175.02 172.63 1y92 n ASP 14 N 3.58 -1.29 -4.77 3.03 2.03 -1.26 -4.83 116.55 113.04 1y92 n ASP 14 Ca -0.16 -3.19 -0.41 0.00 0.52 0.00 0.00 54.79 51.55 1y92 n ASP 14 Cb 0.52 0.77 -0.01 0.00 -0.72 0.00 0.00 41.12 41.68 1y92 n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1y92 s SER 15 N -1.60 6.33 0.85 1.67 0.01 -1.26 -5.28 113.70 114.42 1y92 s SER 15 Ca 0.32 3.03 0.00 0.00 1.31 0.00 0.00 55.95 60.61 1y92 s SER 15 Cb 0.25 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1y92 s SER 15 CO -0.14 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1y92 n GLY 16 N 1.15 0.38 0.00 3.44 0.00 -1.26 -5.34 105.19 103.56 1y92 n GLY 16 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1y92 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y92 n SER 21 N 6.00 0.00 0.27 1.61 2.88 -1.26 -5.30 113.62 117.81 1y92 n SER 21 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1y92 n SER 21 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.20 1y92 n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1y92 h SER 22 N 0.00 0.00 0.56 -3.46 4.64 -2.03 -2.24 113.55 111.01 1y92 h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y92 h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y92 h SER 22 CO 0.00 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 1y92 n SER 23 N -3.42 0.00 -0.25 4.97 3.41 -1.26 -1.96 113.62 115.11 1y92 n SER 23 Ca -0.01 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1y92 n SER 23 Cb 0.26 -0.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.93 1y92 n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1y92 n ASN 24 N -1.44 1.26 -0.07 4.04 5.15 -0.84 -4.33 115.26 119.03 1y92 n ASN 24 Ca 0.06 -1.01 -0.12 0.00 -0.60 0.00 0.00 54.58 52.91 1y92 n ASN 24 Cb 0.20 0.41 -0.07 0.00 -0.53 0.00 0.00 39.78 39.80 1y92 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1y92 h TYR 25 N 1.20 -1.37 -0.93 1.20 3.20 -1.51 -2.30 116.97 116.46 1y92 h TYR 25 Ca 0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1y92 h TYR 25 Cb 0.59 0.64 -0.06 0.00 1.54 0.00 0.00 36.73 39.44 1y92 h TYR 25 CO 0.00 -0.48 0.61 0.00 -1.64 0.00 0.00 178.16 176.65 1y92 h ASN 27 N 1.13 0.81 0.07 0.00 2.35 -1.72 -0.52 115.58 117.72 1y92 h ASN 27 Ca 0.38 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.97 1y92 h ASN 27 Cb 0.07 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.27 1y92 h ASN 27 CO -0.12 0.57 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.51 1y92 h LEU 28 N 0.96 0.43 -0.47 1.61 3.38 -0.93 -3.12 115.31 117.18 1y92 h LEU 28 Ca 0.30 -0.88 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1y92 h LEU 28 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1y92 h LEU 28 CO -0.10 1.27 0.11 0.24 0.09 0.00 0.00 178.44 180.06 1y92 h MET 29 N -0.34 0.75 -0.73 1.13 2.86 -0.65 0.21 114.93 118.17 1y92 h MET 29 Ca -0.10 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1y92 h MET 29 Cb 1.44 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 1y92 h MET 29 CO 0.12 0.74 0.48 0.52 1.06 0.00 0.00 176.91 179.83 1y92 h MET 30 N 0.63 0.88 -0.06 1.72 2.86 -1.23 0.30 114.93 120.03 1y92 h MET 30 Ca 0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1y92 h MET 30 Cb 0.33 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1y92 h MET 30 CO 0.00 0.58 -0.12 0.00 1.06 0.00 0.00 176.91 178.43 1y92 n ARG 33 N -5.03 1.35 -3.78 0.00 5.12 0.10 -4.90 116.66 109.52 1y92 n ARG 33 Ca -0.00 -0.32 -0.24 0.00 -1.93 0.00 0.00 57.85 55.36 1y92 n ARG 33 Cb 0.11 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 29.97 1y92 n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1y92 n LYS 34 N -0.02 -3.83 -0.19 5.56 4.76 -0.77 -4.91 118.16 118.77 1y92 n LYS 34 Ca 0.03 0.53 0.10 0.00 -2.87 0.00 0.00 58.31 56.09 1y92 n LYS 34 Cb 0.28 -4.83 0.18 0.00 -1.84 0.00 0.00 35.03 28.82 1y92 n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1y92 n MET 35 N -4.28 1.81 -1.65 1.97 2.81 0.04 -4.51 117.12 113.30 1y92 n MET 35 Ca -0.28 -2.67 -0.00 0.00 -1.81 0.00 0.00 57.70 52.94 1y92 n MET 35 Cb 0.67 -1.61 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 1y92 n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1y92 n THR 36 N -1.14 1.19 -4.10 2.03 -2.24 -1.25 -2.32 114.28 106.46 1y92 n THR 36 Ca 0.18 -2.45 -0.33 0.00 -2.27 0.00 0.00 64.05 59.18 1y92 n THR 36 Cb 0.72 0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 69.25 1y92 n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1y92 s GLN 37 N -2.17 2.76 0.00 -0.78 -0.21 -1.26 -4.58 119.66 113.42 1y92 s GLN 37 Ca 0.36 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1y92 s GLN 37 Cb 0.37 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.70 1y92 s GLN 37 CO -0.09 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 1y92 n GLY 38 N 4.57 2.97 3.61 3.09 0.00 -1.26 -4.92 105.19 113.24 1y92 n GLY 38 Ca -0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 1y92 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y92 s LYS 39 N 0.00 0.24 -0.01 1.61 -2.85 -1.26 -5.08 119.74 112.39 1y92 s LYS 39 Ca 0.00 -0.11 -0.23 0.00 -1.00 0.00 0.00 55.97 54.63 1y92 s LYS 39 Cb 0.00 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.82 1y92 s LYS 39 CO 0.00 -0.11 0.68 0.00 0.10 0.00 0.00 175.35 176.02 1y92 s LYS 41 N 0.13 4.26 0.24 0.00 2.20 -0.98 -4.91 119.74 120.67 1y92 s LYS 41 Ca 0.35 1.45 -0.05 0.00 -0.36 0.00 0.00 55.97 57.35 1y92 s LYS 41 Cb -0.19 -3.67 0.39 0.00 -1.51 0.00 0.00 37.83 32.85 1y92 s LYS 41 CO 0.19 -0.65 1.78 -1.00 -0.36 0.00 0.00 175.35 175.31 1y92 h PRO 42 N 7.65 0.61 -3.43 4.03 0.13 -1.94 -3.43 132.00 135.62 1y92 h PRO 42 Ca -0.21 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.73 1y92 h PRO 42 Cb 1.07 -0.14 -0.22 0.00 0.13 0.00 0.00 31.00 31.85 1y92 h PRO 42 CO 0.97 0.40 -0.48 0.08 -0.23 0.00 0.00 178.00 178.75 1y92 s VAL 43 N -6.04 0.07 -0.02 1.56 1.01 -1.26 -0.85 120.40 114.87 1y92 s VAL 43 Ca -0.12 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1y92 s VAL 43 Cb 0.19 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1y92 s VAL 43 CO 0.77 -0.30 0.65 0.21 0.00 0.00 0.00 175.10 176.43 1y92 s ASN 44 N -1.09 -0.62 -0.03 3.32 2.47 -0.46 -5.02 114.94 113.51 1y92 s ASN 44 Ca -0.12 0.58 0.06 0.00 0.42 0.00 0.00 52.86 53.80 1y92 s ASN 44 Cb -0.06 0.54 -0.01 0.00 -1.45 0.00 0.00 41.25 40.26 1y92 s ASN 44 CO 0.02 -0.65 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.65 1y92 s THR 45 N -1.58 1.63 -0.11 -5.21 2.01 -1.26 -0.90 115.64 110.22 1y92 s THR 45 Ca -0.09 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1y92 s THR 45 Cb -0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1y92 s THR 45 CO 0.06 0.46 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.95 1y92 s PHE 46 N -0.25 2.75 -0.18 4.92 0.08 -0.40 -4.96 117.98 119.94 1y92 s PHE 46 Ca 0.02 -0.58 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 1y92 s PHE 46 Cb -0.10 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1y92 s PHE 46 CO 0.01 -0.14 0.09 0.08 -0.10 0.00 0.00 175.22 175.16 1y92 s VAL 47 N 0.09 5.09 -1.11 -0.44 1.01 -1.26 -0.56 120.40 123.21 1y92 s VAL 47 Ca -0.06 0.07 0.18 0.00 0.00 0.00 0.00 61.98 62.17 1y92 s VAL 47 Cb -0.15 -3.30 0.70 0.00 0.00 0.00 0.00 36.38 33.64 1y92 s VAL 47 CO 0.05 0.47 1.61 1.41 0.00 0.00 0.00 175.10 178.64 1y92 n HIS 48 N 3.38 1.42 -2.59 5.22 -0.00 0.20 -4.96 115.22 117.91 1y92 n HIS 48 Ca -0.17 -0.62 -0.24 0.00 -0.00 0.00 0.00 57.72 56.70 1y92 n HIS 48 Cb 0.52 -0.23 0.03 0.00 -0.00 0.00 0.00 29.99 30.31 1y92 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1y92 s GLU 49 N -1.83 2.72 0.64 -0.41 0.41 -1.26 -4.92 118.70 114.04 1y92 s GLU 49 Ca 0.50 -0.40 -0.17 0.00 -0.41 0.00 0.00 54.97 54.49 1y92 s GLU 49 Cb 0.32 -2.39 -0.01 0.00 -1.78 0.00 0.00 34.13 30.27 1y92 s GLU 49 CO 0.24 -0.69 1.18 -1.54 -0.49 0.00 0.00 175.26 173.96 1y92 s SER 50 N -4.36 4.95 0.41 -0.19 1.04 -1.26 -4.89 113.70 109.41 1y92 s SER 50 Ca 0.55 2.29 0.10 0.00 0.48 0.00 0.00 55.95 59.37 1y92 s SER 50 Cb -0.10 -2.59 0.92 0.00 0.10 0.00 0.00 66.02 64.35 1y92 s SER 50 CO 0.41 -1.75 1.99 0.25 0.98 0.00 0.00 173.24 175.12 1y92 h LEU 51 N 0.43 0.46 -0.99 2.42 5.85 -1.97 -1.73 115.31 119.78 1y92 h LEU 51 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1y92 h LEU 51 Cb 1.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1y92 h LEU 51 CO 0.54 0.30 0.45 0.00 -0.34 0.00 0.00 178.44 179.39 1y92 h ALA 52 N 1.69 1.23 -0.17 1.25 0.00 -1.99 -1.25 119.26 120.01 1y92 h ALA 52 Ca 0.26 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1y92 h ALA 52 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y92 h ALA 52 CO -0.08 0.62 -0.52 -0.44 0.00 0.00 0.00 179.25 178.84 1y92 h ASP 53 N 1.17 0.52 -0.25 0.00 3.32 -1.68 -2.45 116.42 117.05 1y92 h ASP 53 Ca 0.29 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1y92 h ASP 53 Cb 0.03 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1y92 h ASP 53 CO -0.05 0.94 -0.37 0.58 -1.72 0.00 0.00 179.24 178.62 1y92 h VAL 54 N 0.37 1.31 -0.20 -1.35 2.07 -1.27 -2.98 116.25 114.20 1y92 h VAL 54 Ca 0.01 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1y92 h VAL 54 Cb 1.04 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1y92 h VAL 54 CO 0.09 0.50 0.02 0.11 0.02 0.00 0.00 177.57 178.32 1y92 h LYS 55 N 0.42 0.28 0.00 1.57 1.57 -1.21 -1.63 116.57 117.56 1y92 h LYS 55 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1y92 h LYS 55 Cb 0.96 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1y92 h LYS 55 CO 0.09 0.28 -0.10 0.00 -0.57 0.00 0.00 179.45 179.15 1y92 h ALA 56 N 1.76 1.29 0.00 3.86 0.00 -1.28 -2.12 119.26 122.77 1y92 h ALA 56 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y92 h ALA 56 Cb 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y92 h ALA 56 CO 0.00 0.12 -0.01 0.28 0.00 0.00 0.00 179.25 179.64 1y92 h VAL 57 N 0.00 0.79 0.00 0.00 2.07 -1.29 -1.35 116.25 116.47 1y92 h VAL 57 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1y92 h VAL 57 Cb 0.29 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1y92 h VAL 57 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1y92 n SER 59 N -1.36 1.47 0.00 0.00 3.41 -0.51 -5.01 113.62 111.62 1y92 n SER 59 Ca 0.02 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1y92 n SER 59 Cb 0.05 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1y92 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y92 n GLN 60 N -0.62 1.84 -2.19 4.33 6.02 -0.30 -5.04 117.38 121.42 1y92 n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1y92 n GLN 60 Cb 0.82 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.05 1y92 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1y92 s LYS 61 N 4.61 4.11 -0.11 -1.09 2.20 -1.12 -4.87 119.74 123.47 1y92 s LYS 61 Ca 0.00 1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 57.19 1y92 s LYS 61 Cb 0.00 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1y92 s LYS 61 CO 0.00 -0.90 0.94 0.21 -0.36 0.00 0.00 175.35 175.24 1y92 s LYS 62 N 4.00 4.41 0.27 4.03 2.20 -1.26 0.18 119.74 133.57 1y92 s LYS 62 Ca 0.66 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.56 1y92 s LYS 62 Cb -0.27 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1y92 s LYS 62 CO 0.24 -0.26 0.13 0.14 -0.36 0.00 0.00 175.35 175.24 1y92 s VAL 63 N 1.85 0.38 -0.00 4.02 -7.23 0.16 -4.94 120.40 114.64 1y92 s VAL 63 Ca 0.46 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1y92 s VAL 63 Cb -0.18 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 1y92 s VAL 63 CO 0.18 0.00 0.54 -0.89 -0.31 0.00 0.00 175.10 174.62 1y92 s THR 64 N -3.75 4.93 0.83 5.32 2.01 -1.26 -2.90 115.64 120.82 1y92 s THR 64 Ca 0.37 1.13 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 1y92 s THR 64 Cb 0.06 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.79 1y92 s THR 64 CO 0.15 0.46 1.09 0.00 -0.69 0.00 0.00 174.62 175.63 1y92 h LYS 66 N -1.32 0.43 -0.21 0.00 1.57 -1.91 -2.34 116.57 112.79 1y92 h LYS 66 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1y92 h LYS 66 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1y92 h LYS 66 CO 0.53 0.34 0.00 -0.40 -0.57 0.00 0.00 179.45 179.35 1y92 n ASP 67 N -4.44 1.25 0.00 0.86 5.75 -1.26 -4.90 116.55 113.82 1y92 n ASP 67 Ca 0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1y92 n ASP 67 Cb 0.11 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1y92 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y92 n GLY 68 N 0.92 2.14 3.74 6.12 0.00 -0.88 -5.05 105.19 112.18 1y92 n GLY 68 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1y92 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y92 s GLN 69 N -0.67 1.91 -0.01 1.61 -0.21 -1.26 -4.76 119.66 116.27 1y92 s GLN 69 Ca 0.00 1.18 0.10 0.00 0.02 0.00 0.00 55.36 56.66 1y92 s GLN 69 Cb 0.00 -1.86 0.29 0.00 1.00 0.00 0.00 33.01 32.45 1y92 s GLN 69 CO 0.00 -1.89 1.24 0.25 -2.12 0.00 0.00 175.29 172.77 1y92 n THR 70 N -3.69 1.04 -1.19 -0.19 -2.24 -1.26 -0.94 114.28 105.80 1y92 n THR 70 Ca 0.09 -1.03 -0.29 0.00 -2.27 0.00 0.00 64.05 60.55 1y92 n THR 70 Cb 0.53 0.47 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1y92 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1y92 n ASN 71 N 0.41 7.14 -4.73 3.42 6.94 -1.26 -4.80 115.26 122.38 1y92 n ASN 71 Ca 0.11 -3.58 -0.33 0.00 -0.02 0.00 0.00 54.58 50.76 1y92 n ASN 71 Cb 0.43 -0.99 -0.08 0.00 -2.36 0.00 0.00 39.78 36.78 1y92 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y92 s TYR 73 N -1.12 1.14 -0.06 0.00 1.51 0.87 0.40 117.35 120.09 1y92 s TYR 73 Ca 0.20 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1y92 s TYR 73 Cb -0.12 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1y92 s TYR 73 CO 0.11 0.02 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.27 1y92 s GLN 74 N -1.12 2.66 0.28 -0.62 0.74 0.13 -0.71 119.66 121.01 1y92 s GLN 74 Ca 0.01 -0.73 -0.29 0.00 0.05 0.00 0.00 55.36 54.39 1y92 s GLN 74 Cb -0.08 -2.39 -0.10 0.00 1.10 0.00 0.00 33.01 31.55 1y92 s GLN 74 CO 0.01 0.51 1.36 -1.54 -0.55 0.00 0.00 175.29 175.09 1y92 s SER 75 N -0.45 6.74 0.42 6.67 1.04 -0.14 -2.79 113.70 125.18 1y92 s SER 75 Ca 0.05 2.64 0.17 0.00 0.48 0.00 0.00 55.95 59.30 1y92 s SER 75 Cb -0.12 -2.63 0.94 0.00 0.10 0.00 0.00 66.02 64.30 1y92 s SER 75 CO 0.02 -0.61 1.91 0.07 0.98 0.00 0.00 173.24 175.61 1y92 h LYS 76 N 4.35 0.00 -5.46 4.02 5.09 -1.95 -3.43 116.57 119.18 1y92 h LYS 76 Ca -0.47 0.00 -0.51 0.00 0.09 0.00 0.00 60.65 59.76 1y92 h LYS 76 Cb 1.22 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 33.41 1y92 h LYS 76 CO 0.72 0.28 -0.65 -1.54 -2.09 0.00 0.00 179.45 176.17 1y92 s SER 77 N -6.73 2.81 0.74 7.07 1.04 -1.26 -5.10 113.70 112.27 1y92 s SER 77 Ca -0.03 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.03 1y92 s SER 77 Cb 0.14 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1y92 s SER 77 CO 0.68 -0.43 1.07 0.42 0.98 0.00 0.00 173.24 175.97 1y92 s THR 78 N -3.04 3.66 0.05 2.02 -4.23 -1.26 -4.55 115.64 108.28 1y92 s THR 78 Ca 0.32 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1y92 s THR 78 Cb 0.06 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1y92 s THR 78 CO 0.14 -0.70 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.42 1y92 s MET 79 N -5.01 0.55 -0.19 3.99 -1.94 0.18 -4.87 119.30 112.01 1y92 s MET 79 Ca 0.59 -0.95 -0.28 0.00 -1.71 0.00 0.00 55.69 53.34 1y92 s MET 79 Cb -0.15 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 36.65 1y92 s MET 79 CO 0.55 -0.03 0.98 1.03 -0.01 0.00 0.00 175.02 177.54 1y92 s ARG 80 N -2.59 4.30 0.17 2.03 0.52 -1.26 -1.83 118.95 120.28 1y92 s ARG 80 Ca -0.03 1.28 0.03 0.00 -0.52 0.00 0.00 55.73 56.49 1y92 s ARG 80 Cb -0.02 -3.61 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 1y92 s ARG 80 CO -0.04 -0.50 -0.03 0.96 0.02 0.00 0.00 175.30 175.71 1y92 s ILE 81 N 2.74 0.85 -0.10 1.52 -4.36 -0.43 -0.63 121.20 120.79 1y92 s ILE 81 Ca 0.43 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1y92 s ILE 81 Cb -0.16 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.52 1y92 s ILE 81 CO 0.10 -0.57 -0.20 -0.89 0.24 0.00 0.00 174.94 173.62 1y92 s THR 82 N -3.54 1.80 -0.20 8.37 2.01 0.27 -1.74 115.64 122.62 1y92 s THR 82 Ca 0.21 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 1y92 s THR 82 Cb 0.05 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1y92 s THR 82 CO 0.03 0.50 0.23 -0.62 -0.69 0.00 0.00 174.62 174.07 1y92 s ASP 83 N 0.56 6.29 -0.17 3.53 2.15 0.18 -1.27 116.67 127.95 1y92 s ASP 83 Ca -0.15 0.33 0.01 0.00 0.43 0.00 0.00 52.55 53.18 1y92 s ASP 83 Cb -0.17 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 1y92 s ASP 83 CO 0.05 0.09 -0.19 0.00 -0.17 0.00 0.00 175.17 174.94 1y92 s ARG 85 N 1.10 0.82 0.26 0.00 0.52 -1.15 -1.36 118.95 119.13 1y92 s ARG 85 Ca 0.00 -0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 54.65 1y92 s ARG 85 Cb -0.14 -0.78 -0.13 0.00 0.52 0.00 0.00 34.95 34.42 1y92 s ARG 85 CO -0.08 0.09 1.39 0.39 0.02 0.00 0.00 175.30 177.12 1y92 n GLU 86 N 3.32 2.07 -1.75 3.54 1.02 -0.03 -0.71 120.64 128.10 1y92 n GLU 86 Ca -0.18 0.73 -0.29 0.00 -0.02 0.00 0.00 57.16 57.40 1y92 n GLU 86 Cb 0.55 -2.38 0.15 0.00 -0.02 0.00 0.00 31.44 29.73 1y92 n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1y92 s THR 87 N -0.21 1.96 -0.40 2.62 -4.23 -0.23 -4.80 115.64 110.36 1y92 s THR 87 Ca 0.66 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.38 1y92 s THR 87 Cb -0.63 -2.89 0.21 0.00 1.34 0.00 0.00 72.50 70.53 1y92 s THR 87 CO 0.51 0.00 1.64 0.61 -0.54 0.00 0.00 174.62 176.84 1y92 n GLY 88 N -2.98 -1.03 0.61 3.99 0.00 -1.26 -2.77 105.19 101.75 1y92 n GLY 88 Ca 0.11 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1y92 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y92 n SER 89 N -2.18 1.70 -4.82 1.61 3.41 -1.26 -5.05 113.62 107.03 1y92 n SER 89 Ca 0.00 -3.58 -0.34 0.00 -0.26 0.00 0.00 58.87 54.69 1y92 n SER 89 Cb 0.12 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 1y92 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1y92 s SER 90 N -3.03 6.99 -0.30 4.04 0.15 -1.12 -4.90 113.70 115.54 1y92 s SER 90 Ca 0.36 1.56 -0.07 0.00 0.70 0.00 0.00 55.95 58.50 1y92 s SER 90 Cb 0.35 -2.48 0.18 0.00 -1.71 0.00 0.00 66.02 62.37 1y92 s SER 90 CO -0.06 -0.19 0.83 -0.75 1.20 0.00 0.00 173.24 174.26 1y92 s LYS 91 N -2.69 0.37 0.34 5.44 2.36 -0.87 -4.96 119.74 119.74 1y92 s LYS 91 Ca 0.54 0.65 -0.26 0.00 -2.55 0.00 0.00 55.97 54.35 1y92 s LYS 91 Cb -0.13 0.36 -0.13 0.00 -1.05 0.00 0.00 37.83 36.88 1y92 s LYS 91 CO 0.18 -0.42 0.90 0.98 1.55 0.00 0.00 175.35 178.54 1y92 n TYR 92 N 5.44 0.85 1.61 4.03 9.36 -1.26 0.15 117.16 137.35 1y92 n TYR 92 Ca -0.03 0.67 0.15 0.00 3.32 0.00 0.00 57.90 62.01 1y92 n TYR 92 Cb 0.53 -2.18 0.81 0.00 -0.63 0.00 0.00 39.34 37.86 1y92 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1y92 n PRO 93 N 0.58 0.65 -2.24 2.98 -0.04 -1.26 -4.94 135.00 130.73 1y92 n PRO 93 Ca 0.10 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1y92 n PRO 93 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1y92 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y92 n ASN 94 N -1.15 4.70 -4.77 3.54 4.13 0.12 -4.97 115.26 116.85 1y92 n ASN 94 Ca 0.17 -2.99 -0.38 0.00 1.68 0.00 0.00 54.58 53.07 1y92 n ASN 94 Cb 0.20 -1.58 -0.05 0.00 -1.54 0.00 0.00 39.78 36.82 1y92 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y92 s ALA 96 N -1.49 -0.31 0.18 0.00 0.00 -1.26 -4.93 121.76 113.95 1y92 s ALA 96 Ca 0.52 0.60 0.08 0.00 0.00 0.00 0.00 51.96 53.16 1y92 s ALA 96 Cb -0.24 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1y92 s ALA 96 CO 0.30 -0.13 -0.16 0.71 0.00 0.00 0.00 175.76 176.49 1y92 s TYR 97 N 0.80 1.71 -0.21 0.00 2.02 -1.26 -1.06 117.35 119.34 1y92 s TYR 97 Ca -0.06 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 56.01 1y92 s TYR 97 Cb -0.08 -0.82 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 1y92 s TYR 97 CO -0.04 0.33 0.12 0.21 -1.57 0.00 0.00 175.55 174.59 1y92 s LYS 98 N -3.28 4.04 -0.15 -0.62 2.20 0.11 -4.72 119.74 117.32 1y92 s LYS 98 Ca 0.19 -0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1y92 s LYS 98 Cb -0.03 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1y92 s LYS 98 CO 0.06 0.16 0.39 0.99 -0.36 0.00 0.00 175.35 176.60 1y92 s THR 99 N 0.73 5.23 -0.11 3.43 2.01 -1.26 -2.95 115.64 122.73 1y92 s THR 99 Ca 0.06 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 1y92 s THR 99 Cb -0.13 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1y92 s THR 99 CO 0.02 0.33 0.03 -0.89 -0.69 0.00 0.00 174.62 173.42 1y92 s THR 100 N 0.74 0.26 -0.22 -0.82 2.01 -0.64 -4.96 115.64 112.01 1y92 s THR 100 Ca 0.21 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 1y92 s THR 100 Cb -0.14 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1y92 s THR 100 CO 0.07 0.06 0.23 -1.10 -0.69 0.00 0.00 174.62 173.19 1y92 s GLN 101 N 2.01 4.13 0.30 4.92 -0.21 -1.26 0.51 119.66 130.05 1y92 s GLN 101 Ca 0.03 -0.11 -0.00 0.00 0.02 0.00 0.00 55.36 55.30 1y92 s GLN 101 Cb -0.14 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.34 1y92 s GLN 101 CO -0.06 0.08 0.34 0.14 -2.12 0.00 0.00 175.29 173.67 1y92 s VAL 102 N 0.99 0.00 -0.18 1.09 -7.23 -0.71 -5.01 120.40 109.35 1y92 s VAL 102 Ca 0.11 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1y92 s VAL 102 Cb -0.13 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1y92 s VAL 102 CO 0.04 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.10 1y92 s GLU 103 N -3.50 2.22 0.20 4.82 2.02 -1.26 -1.31 118.70 121.89 1y92 s GLU 103 Ca 0.35 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.49 1y92 s GLU 103 Cb 0.02 -2.31 -0.00 0.00 0.10 0.00 0.00 34.13 31.94 1y92 s GLU 103 CO 0.20 -0.33 0.38 0.15 0.02 0.00 0.00 175.26 175.67 1y92 s LYS 104 N 1.42 1.32 0.42 1.61 1.02 -0.76 -4.82 119.74 119.95 1y92 s LYS 104 Ca 0.02 -1.17 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 1y92 s LYS 104 Cb -0.15 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.50 1y92 s LYS 104 CO -0.10 -0.52 1.02 -1.01 -0.92 0.00 0.00 175.35 173.82 1y92 s HIS 105 N -3.98 3.26 0.17 3.18 3.76 0.82 -0.64 115.29 121.85 1y92 s HIS 105 Ca 0.18 1.64 0.10 0.00 -0.15 0.00 0.00 55.06 56.83 1y92 s HIS 105 Cb 0.01 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 1y92 s HIS 105 CO 0.03 -0.49 -0.16 0.96 -0.85 0.00 0.00 174.74 174.23 1y92 s ILE 106 N -1.82 2.83 -0.11 0.60 -4.36 -1.26 -0.29 121.20 116.77 1y92 s ILE 106 Ca 0.60 -1.74 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 1y92 s ILE 106 Cb -0.18 -2.36 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1y92 s ILE 106 CO 0.23 -0.06 -0.14 -0.63 0.24 0.00 0.00 174.94 174.57 1y92 s ILE 107 N -1.54 1.47 0.15 8.37 1.01 0.27 -0.97 121.20 129.95 1y92 s ILE 107 Ca 0.22 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1y92 s ILE 107 Cb -0.09 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1y92 s ILE 107 CO 0.12 0.44 -0.12 0.68 0.00 0.00 0.00 174.94 176.05 1y92 s VAL 108 N 1.10 1.34 -0.10 2.92 -7.23 0.11 -0.85 120.40 117.68 1y92 s VAL 108 Ca -0.04 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 1y92 s VAL 108 Cb -0.14 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1y92 s VAL 108 CO -0.03 -0.61 0.18 0.00 -0.31 0.00 0.00 175.10 174.33 1y92 s ALA 109 N -2.88 3.85 0.02 1.32 0.00 -0.07 -0.09 121.76 123.91 1y92 s ALA 109 Ca 0.15 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.61 1y92 s ALA 109 Cb -0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1y92 s ALA 109 CO 0.03 0.60 -0.21 0.00 0.00 0.00 0.00 175.76 176.18 1y92 n GLY 111 N 1.89 0.95 2.03 0.00 0.00 -0.73 -4.89 105.19 104.43 1y92 n GLY 111 Ca -0.16 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.61 1y92 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y92 n GLY 112 N -0.55 -2.20 2.71 -0.02 0.00 -1.26 -1.94 105.19 101.92 1y92 n GLY 112 Ca -0.09 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 1y92 n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y92 s LYS 113 N -0.75 0.13 0.90 1.61 2.47 -1.26 -3.45 119.74 119.39 1y92 s LYS 113 Ca 0.00 0.13 -0.11 0.00 -1.56 0.00 0.00 55.97 54.42 1y92 s LYS 113 Cb 0.00 -1.36 0.11 0.00 -1.46 0.00 0.00 37.83 35.12 1y92 s LYS 113 CO 0.00 -0.63 0.98 -2.30 0.16 0.00 0.00 175.35 173.55 1y92 n PRO 114 N 5.31 -0.29 -2.60 4.03 -0.02 -1.26 -5.09 135.00 135.08 1y92 n PRO 114 Ca -0.06 -0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 1y92 n PRO 114 Cb 0.49 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1y92 n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1y92 s SER 115 N -2.37 6.93 0.20 2.55 0.15 -1.22 -4.89 113.70 115.05 1y92 s SER 115 Ca 0.66 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.52 1y92 s SER 115 Cb -0.24 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.48 1y92 s SER 115 CO 0.59 -0.86 -0.00 0.68 1.20 0.00 0.00 173.24 174.85 1y92 s VAL 116 N 3.65 0.87 0.20 4.45 -7.23 -0.82 -4.85 120.40 116.67 1y92 s VAL 116 Ca 0.47 -2.01 -0.32 0.00 -1.81 0.00 0.00 61.98 58.31 1y92 s VAL 116 Cb -0.14 -2.24 -0.11 0.00 0.56 0.00 0.00 36.38 34.45 1y92 s VAL 116 CO 0.14 -0.39 1.67 -2.84 -0.31 0.00 0.00 175.10 173.37 1y92 s PRO 117 N -3.89 4.15 0.00 4.82 0.02 -1.26 -1.78 135.00 137.06 1y92 s PRO 117 Ca 0.26 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1y92 s PRO 117 Cb 0.06 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1y92 s PRO 117 CO 0.06 -0.70 0.13 1.33 -0.33 0.00 0.00 177.00 177.49 1y92 n VAL 118 N 3.83 0.00 -3.65 3.83 0.24 0.07 -4.90 118.33 117.75 1y92 n VAL 118 Ca 0.15 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 1y92 n VAL 118 Cb 0.36 1.12 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 1y92 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1y92 s HIS 119 N -0.42 -0.73 -0.40 6.34 5.65 -1.18 -4.98 115.29 119.57 1y92 s HIS 119 Ca 0.00 1.76 -0.16 0.00 0.25 0.00 0.00 55.06 56.91 1y92 s HIS 119 Cb 0.00 0.26 0.01 0.00 -1.18 0.00 0.00 32.58 31.68 1y92 s HIS 119 CO 0.00 -0.35 0.37 0.12 -0.65 0.00 0.00 174.74 174.23 1y92 s PHE 120 N 0.42 3.20 -0.15 3.88 2.19 -1.26 -0.89 117.98 125.37 1y92 s PHE 120 Ca -0.01 -0.39 -0.23 0.00 0.33 0.00 0.00 56.93 56.64 1y92 s PHE 120 Cb -0.05 -2.75 -0.24 0.00 -1.31 0.00 0.00 43.02 38.67 1y92 s PHE 120 CO -0.00 -0.61 0.54 0.22 1.83 0.00 0.00 175.22 177.20 1y92 h ASP 121 N 8.65 0.12 -5.97 6.13 3.58 -1.33 -3.49 116.42 124.11 1y92 h ASP 121 Ca -0.27 -0.80 0.40 0.00 0.42 0.00 0.00 57.03 56.78 1y92 h ASP 121 Cb 1.12 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.04 1y92 h ASP 121 CO 0.75 1.33 1.00 0.00 -2.88 0.00 0.00 179.24 179.45 1y92 s ALA 122 N -2.34 -2.71 0.08 -0.78 0.00 -0.87 -4.91 121.76 110.22 1y92 s ALA 122 Ca -0.22 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.09 1y92 s ALA 122 Cb 0.02 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1y92 s ALA 122 CO 0.68 -1.16 -0.14 -1.54 0.00 0.00 0.00 175.76 173.61 1y92 s SER 123 N -3.77 1.65 0.00 0.00 1.04 -1.26 0.94 113.70 112.30 1y92 s SER 123 Ca 0.29 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1y92 s SER 123 Cb 0.01 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1y92 s SER 123 CO -0.03 -0.10 0.00 0.55 0.98 0.00 0.00 173.24 174.63