#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 4.31 0.55 1.97 2.12 -1.26 -4.99 118.70 121.40 1y92 s GLU 2 Ca 0.00 1.74 -0.19 0.00 0.36 0.00 0.00 54.97 56.88 1y92 s GLU 2 Cb 0.00 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1y92 s GLU 2 CO 0.00 -0.53 1.10 -1.54 -0.54 0.00 0.00 175.26 173.75 1y92 s SER 3 N 1.70 5.75 0.30 -1.70 1.04 -1.26 -4.82 113.70 114.71 1y92 s SER 3 Ca 0.58 2.07 0.03 0.00 0.48 0.00 0.00 55.95 59.11 1y92 s SER 3 Cb -0.26 -2.57 0.60 0.00 0.10 0.00 0.00 66.02 63.89 1y92 s SER 3 CO 0.22 -1.19 1.86 0.00 0.98 0.00 0.00 173.24 175.10 1y92 h ALA 4 N 1.03 1.58 -0.51 5.32 0.00 -1.99 0.96 119.26 125.64 1y92 h ALA 4 Ca -0.49 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1y92 h ALA 4 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1y92 h ALA 4 CO 0.57 0.20 0.06 0.00 0.00 0.00 0.00 179.25 180.08 1y92 h ALA 5 N 1.54 0.68 -0.28 0.00 0.00 -2.00 -1.13 119.26 118.08 1y92 h ALA 5 Ca 0.47 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1y92 h ALA 5 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1y92 h ALA 5 CO -0.23 0.44 -0.38 0.00 0.00 0.00 0.00 179.25 179.08 1y92 h ALA 6 N 0.97 0.80 -0.59 0.00 0.00 -1.63 -2.68 119.26 116.12 1y92 h ALA 6 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1y92 h ALA 6 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y92 h ALA 6 CO 0.01 0.65 0.20 -0.22 0.00 0.00 0.00 179.25 179.90 1y92 h LYS 7 N 0.54 0.91 -0.26 0.00 3.64 -0.68 -2.24 116.57 118.48 1y92 h LYS 7 Ca 0.05 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1y92 h LYS 7 Cb 0.90 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1y92 h LYS 7 CO 0.08 0.80 0.13 0.35 -2.27 0.00 0.00 179.45 178.54 1y92 h PHE 8 N 0.83 0.24 -0.96 1.91 3.04 -1.00 -1.56 116.94 119.45 1y92 h PHE 8 Ca 0.19 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1y92 h PHE 8 Cb 0.26 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1y92 h PHE 8 CO 0.02 0.14 0.62 0.93 -2.02 0.00 0.00 178.31 177.99 1y92 h GLU 9 N 0.27 1.27 -0.44 1.11 5.08 -1.27 -0.24 114.58 120.37 1y92 h GLU 9 Ca 0.10 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1y92 h GLU 9 Cb 0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1y92 h GLU 9 CO -0.07 0.86 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.55 1y92 h ARG 10 N 1.31 0.88 0.00 2.33 2.43 -1.10 -1.84 114.38 118.39 1y92 h ARG 10 Ca 0.35 -0.36 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1y92 h ARG 10 Cb -0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1y92 h ARG 10 CO -0.07 1.01 -1.07 1.96 -1.51 0.00 0.00 179.97 180.28 1y92 h GLN 11 N 0.71 0.00 0.00 0.20 4.20 -1.13 -3.41 115.11 115.68 1y92 h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1y92 h GLN 11 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1y92 h GLN 11 CO 0.05 0.87 0.00 0.72 -0.67 0.00 0.00 178.83 179.81 1y92 n HIS 12 N -3.29 0.00 -4.14 2.96 8.25 -0.12 -5.04 115.22 113.85 1y92 n HIS 12 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1y92 n HIS 12 Cb 0.94 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.13 3.63 -0.42 -0.41 -1.94 -0.69 -5.01 119.30 114.34 1y92 s MET 13 Ca 0.00 -0.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1y92 s MET 13 Cb 0.00 -3.05 0.19 0.00 2.01 0.00 0.00 34.83 33.98 1y92 s MET 13 CO 0.00 0.06 0.43 -3.47 -0.01 0.00 0.00 175.02 172.03 1y92 n ASP 14 N 4.09 -0.71 -0.02 3.03 2.03 -1.26 -4.85 116.55 118.86 1y92 n ASP 14 Ca -0.17 -2.51 -0.18 0.00 0.52 0.00 0.00 54.79 52.44 1y92 n ASP 14 Cb 0.52 -0.28 -0.14 0.00 -0.72 0.00 0.00 41.12 40.50 1y92 n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1y92 n SER 15 N 2.52 1.81 -0.04 1.67 7.64 -1.26 -4.57 113.62 121.39 1y92 n SER 15 Ca 0.26 0.19 -0.12 0.00 1.01 0.00 0.00 58.87 60.22 1y92 n SER 15 Cb 0.50 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 1y92 n SER 15 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1y92 h GLY 16 N 1.75 0.26 -3.51 0.23 0.00 -2.05 -3.45 103.07 96.30 1y92 h GLY 16 Ca -0.43 -0.18 -0.53 0.00 0.00 0.00 0.00 47.33 46.20 1y92 h GLY 16 CO 0.06 0.17 0.64 -1.31 0.00 0.00 0.00 176.54 176.09 1y92 s ASN 17 N -5.69 6.31 0.46 0.19 0.01 -1.26 -5.00 114.94 109.96 1y92 s ASN 17 Ca -0.14 2.72 -0.21 0.00 -0.71 0.00 0.00 52.86 54.52 1y92 s ASN 17 Cb 0.06 -2.64 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1y92 s ASN 17 CO 0.71 -0.85 1.02 -0.55 -1.51 0.00 0.00 177.10 175.92 1y92 s SER 18 N -0.64 6.54 0.13 -1.22 0.15 -1.26 -4.93 113.70 112.46 1y92 s SER 18 Ca 0.56 1.90 0.19 0.00 0.70 0.00 0.00 55.95 59.30 1y92 s SER 18 Cb -0.39 -2.56 0.79 0.00 -1.71 0.00 0.00 66.02 62.14 1y92 s SER 18 CO 0.51 -0.64 1.58 0.00 1.20 0.00 0.00 173.24 175.89 1y92 n ALA 19 N -0.73 1.65 -2.58 5.45 0.00 -1.26 -4.62 120.51 118.41 1y92 n ALA 19 Ca 0.08 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1y92 n ALA 19 Cb 0.52 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1y92 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y92 s SER 20 N -3.61 6.54 0.47 0.00 0.15 -1.26 -4.90 113.70 111.10 1y92 s SER 20 Ca 0.05 0.23 0.15 0.00 0.70 0.00 0.00 55.95 57.09 1y92 s SER 20 Cb 0.09 -2.49 1.14 0.00 -1.71 0.00 0.00 66.02 63.05 1y92 s SER 20 CO 0.32 -1.15 2.05 0.77 1.20 0.00 0.00 173.24 176.43 1y92 h SER 21 N 9.17 0.21 -0.27 5.45 4.64 -1.96 0.71 113.55 131.49 1y92 h SER 21 Ca -0.24 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1y92 h SER 21 Cb 1.07 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1y92 h SER 21 CO 1.07 0.14 0.18 -1.28 -0.87 0.00 0.00 176.83 176.07 1y92 h SER 22 N 0.24 0.28 0.28 4.97 0.87 -1.96 -1.47 113.55 116.77 1y92 h SER 22 Ca 0.17 -0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.39 1y92 h SER 22 Cb 0.36 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1y92 h SER 22 CO -0.03 0.20 -1.95 -1.20 -0.53 0.00 0.00 176.83 173.32 1y92 n SER 23 N -4.50 1.10 -0.72 6.23 7.64 0.12 -4.40 113.62 119.09 1y92 n SER 23 Ca 0.01 0.26 0.13 0.00 1.01 0.00 0.00 58.87 60.28 1y92 n SER 23 Cb 0.10 -0.10 0.33 0.00 -1.01 0.00 0.00 64.21 63.52 1y92 n SER 23 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y92 n ASN 24 N -3.11 2.24 -0.07 6.43 0.23 -0.48 -4.48 115.26 116.02 1y92 n ASN 24 Ca -0.25 -1.75 -0.10 0.00 -0.53 0.00 0.00 54.58 51.95 1y92 n ASN 24 Cb 1.06 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.69 1y92 n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1y92 h TYR 25 N 3.38 -1.09 -0.50 -2.53 3.20 -1.48 -1.85 116.97 116.10 1y92 h TYR 25 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1y92 h TYR 25 Cb 0.72 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 1y92 h TYR 25 CO 0.03 -0.43 0.32 0.00 -1.64 0.00 0.00 178.16 176.44 1y92 h ASN 27 N 0.64 -0.27 -0.15 0.00 2.35 -1.73 0.18 115.58 116.60 1y92 h ASN 27 Ca 0.19 0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1y92 h ASN 27 Cb -0.03 0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1y92 h ASN 27 CO -0.06 -0.09 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.45 1y92 h LEU 28 N 0.04 0.35 -0.51 1.61 3.38 -1.01 -2.89 115.31 116.28 1y92 h LEU 28 Ca 0.19 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1y92 h LEU 28 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1y92 h LEU 28 CO -0.36 0.71 -0.06 0.24 0.09 0.00 0.00 178.44 179.06 1y92 h MET 29 N -0.02 0.93 -0.41 1.13 2.86 -0.71 0.12 114.93 118.85 1y92 h MET 29 Ca 0.03 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1y92 h MET 29 Cb 0.59 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1y92 h MET 29 CO 0.03 0.98 0.11 0.52 1.06 0.00 0.00 176.91 179.61 1y92 h MET 30 N 0.80 0.59 0.00 1.72 2.86 -0.73 0.12 114.93 120.29 1y92 h MET 30 Ca 0.14 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1y92 h MET 30 Cb 0.60 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.17 1y92 h MET 30 CO 0.04 0.53 -0.36 0.00 1.06 0.00 0.00 176.91 178.18 1y92 n ARG 33 N -4.37 2.26 -3.04 0.00 5.12 0.38 -4.90 116.66 112.11 1y92 n ARG 33 Ca 0.10 -1.03 -0.22 0.00 -1.93 0.00 0.00 57.85 54.77 1y92 n ARG 33 Cb 0.04 -1.73 0.02 0.00 -1.16 0.00 0.00 32.46 29.64 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 0.21 -4.35 -0.68 5.56 4.01 -0.96 -4.90 118.16 117.05 1y92 n LYS 34 Ca 0.09 0.82 0.07 0.00 -0.51 0.00 0.00 58.31 58.78 1y92 n LYS 34 Cb 0.55 -5.63 0.33 0.00 -0.51 0.00 0.00 35.03 29.76 1y92 n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1y92 n MET 35 N -3.88 3.86 -0.10 1.97 2.81 -0.34 -4.14 117.12 117.30 1y92 n MET 35 Ca -0.10 -3.01 0.03 0.00 -1.81 0.00 0.00 57.70 52.80 1y92 n MET 35 Cb 0.61 -2.05 0.04 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.01 0.84 -2.96 2.03 -2.24 -1.23 -1.68 114.28 109.05 1y92 n THR 36 Ca 0.25 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.68 1y92 n THR 36 Cb 1.05 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.09 4.17 0.00 -0.78 -0.21 -1.26 -4.16 119.66 116.33 1y92 s GLN 37 Ca 0.08 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1y92 s GLN 37 Cb 0.07 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.44 1y92 s GLN 37 CO 0.01 -0.46 0.00 0.41 -2.12 0.00 0.00 175.29 173.13 1y92 n GLY 38 N 3.84 1.22 3.35 3.09 0.00 -1.26 -4.83 105.19 110.60 1y92 n GLY 38 Ca 0.03 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1y92 n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y92 s LYS 39 N 0.00 0.86 -0.25 1.61 2.20 -1.26 -5.05 119.74 117.84 1y92 s LYS 39 Ca 0.00 -0.08 -0.23 0.00 -0.36 0.00 0.00 55.97 55.30 1y92 s LYS 39 Cb 0.00 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 1y92 s LYS 39 CO 0.00 -0.26 0.76 0.00 -0.36 0.00 0.00 175.35 175.49 1y92 s LYS 41 N 2.74 4.19 0.13 0.00 2.20 -0.67 -4.90 119.74 123.43 1y92 s LYS 41 Ca 0.32 2.36 -0.26 0.00 -0.36 0.00 0.00 55.97 58.03 1y92 s LYS 41 Cb -0.15 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1y92 s LYS 41 CO 0.08 -0.75 1.62 -1.35 -0.36 0.00 0.00 175.35 174.59 1y92 h PRO 42 N 8.42 -0.38 -4.29 4.03 0.11 -1.94 -3.44 132.00 134.50 1y92 h PRO 42 Ca -0.43 0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.47 1y92 h PRO 42 Cb 1.20 0.09 -0.22 0.00 0.11 0.00 0.00 31.00 32.18 1y92 h PRO 42 CO 0.93 -0.26 -0.72 0.08 -0.21 0.00 0.00 178.00 177.82 1y92 s VAL 43 N -6.03 0.35 -0.10 3.15 1.01 -1.26 -1.19 120.40 116.33 1y92 s VAL 43 Ca -0.15 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 1y92 s VAL 43 Cb 0.10 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1y92 s VAL 43 CO 0.66 -0.36 0.64 0.21 0.00 0.00 0.00 175.10 176.25 1y92 s ASN 44 N -1.32 -0.62 -0.07 3.32 2.47 -0.61 -5.01 114.94 113.09 1y92 s ASN 44 Ca -0.10 0.81 0.05 0.00 0.42 0.00 0.00 52.86 54.03 1y92 s ASN 44 Cb -0.09 0.72 -0.01 0.00 -1.45 0.00 0.00 41.25 40.42 1y92 s ASN 44 CO -0.00 -0.50 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.75 1y92 s THR 45 N -0.83 2.19 -0.08 -5.21 2.01 -1.26 -0.64 115.64 111.82 1y92 s THR 45 Ca -0.09 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1y92 s THR 45 Cb -0.02 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1y92 s THR 45 CO 0.07 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.08 1y92 s PHE 46 N -0.08 2.77 -0.16 4.92 0.08 -0.41 -4.96 117.98 120.14 1y92 s PHE 46 Ca -0.06 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.63 1y92 s PHE 46 Cb -0.14 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1y92 s PHE 46 CO 0.04 0.06 0.02 0.08 -0.10 0.00 0.00 175.22 175.32 1y92 s VAL 47 N -0.34 4.41 -2.60 -0.44 1.01 -1.26 -0.57 120.40 120.61 1y92 s VAL 47 Ca 0.03 -0.17 0.24 0.00 0.00 0.00 0.00 61.98 62.07 1y92 s VAL 47 Cb -0.13 -2.96 0.38 0.00 0.00 0.00 0.00 36.38 33.67 1y92 s VAL 47 CO 0.02 0.49 1.38 1.41 0.00 0.00 0.00 175.10 178.40 1y92 n HIS 48 N 3.39 0.38 -1.88 5.22 -0.00 -0.03 -4.96 115.22 117.34 1y92 n HIS 48 Ca -0.17 -0.19 -0.30 0.00 -0.00 0.00 0.00 57.72 57.06 1y92 n HIS 48 Cb 0.52 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.68 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 -1.62 0.90 0.66 -0.41 0.41 -1.26 -4.97 118.70 112.40 1y92 s GLU 49 Ca 0.36 -0.25 -0.15 0.00 -0.41 0.00 0.00 54.97 54.52 1y92 s GLU 49 Cb 0.22 -1.86 -0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1y92 s GLU 49 CO 0.31 -2.27 1.10 -1.54 -0.49 0.00 0.00 175.26 172.38 1y92 s SER 50 N -4.75 5.17 0.26 -0.19 1.04 -1.26 -4.90 113.70 109.06 1y92 s SER 50 Ca 0.71 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 59.06 1y92 s SER 50 Cb -0.06 -2.55 0.33 0.00 0.10 0.00 0.00 66.02 63.84 1y92 s SER 50 CO 0.52 -1.59 1.85 0.25 0.98 0.00 0.00 173.24 175.26 1y92 h LEU 51 N -0.00 0.95 -0.79 2.42 5.85 -1.98 -2.11 115.31 119.65 1y92 h LEU 51 Ca -0.46 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 1y92 h LEU 51 Cb 1.24 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1y92 h LEU 51 CO 0.54 0.82 0.47 0.00 -0.34 0.00 0.00 178.44 179.93 1y92 h ALA 52 N 1.33 1.01 -0.04 1.25 0.00 -1.98 0.03 119.26 120.85 1y92 h ALA 52 Ca 0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1y92 h ALA 52 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1y92 h ALA 52 CO -0.03 0.48 -0.51 -0.44 0.00 0.00 0.00 179.25 178.76 1y92 h ASP 53 N 1.08 0.12 0.10 0.00 3.32 -1.83 -1.01 116.42 118.21 1y92 h ASP 53 Ca 0.28 -0.06 -0.27 0.00 0.02 0.00 0.00 57.03 57.00 1y92 h ASP 53 Cb -0.02 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.51 1y92 h ASP 53 CO -0.05 0.61 -1.07 0.58 -1.72 0.00 0.00 179.24 177.59 1y92 h VAL 54 N 0.09 1.30 0.00 -1.35 2.07 -0.94 -3.10 116.25 114.32 1y92 h VAL 54 Ca 0.00 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 1y92 h VAL 54 Cb 0.93 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1y92 h VAL 54 CO 0.07 0.72 -0.29 0.11 0.02 0.00 0.00 177.57 178.20 1y92 h LYS 55 N 0.34 0.00 0.00 1.57 1.57 -0.92 -1.90 116.57 117.23 1y92 h LYS 55 Ca -0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1y92 h LYS 55 Cb 1.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 1y92 h LYS 55 CO 0.21 0.29 -0.03 0.00 -0.57 0.00 0.00 179.45 179.35 1y92 h ALA 56 N 1.71 1.03 0.00 3.86 0.00 -1.11 -2.32 119.26 122.43 1y92 h ALA 56 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1y92 h ALA 56 Cb 0.57 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1y92 h ALA 56 CO 0.04 0.04 -0.05 0.28 0.00 0.00 0.00 179.25 179.55 1y92 h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.32 -2.29 116.25 115.42 1y92 h VAL 57 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1y92 h VAL 57 Cb 0.39 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1y92 h VAL 57 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1y92 n SER 59 N -1.88 2.51 0.00 0.00 3.41 -0.86 -5.01 113.62 111.79 1y92 n SER 59 Ca 0.01 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1y92 n SER 59 Cb 0.10 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.24 3.02 -1.99 4.33 6.02 -0.63 -5.02 117.38 121.87 1y92 n GLN 60 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1y92 n GLN 60 Cb 0.70 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 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 4.97 4.04 0.07 -1.09 2.20 -1.17 -4.87 119.74 123.89 1y92 s LYS 61 Ca 0.00 2.09 -0.28 0.00 -0.36 0.00 0.00 55.97 57.43 1y92 s LYS 61 Cb 0.00 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.24 1y92 s LYS 61 CO 0.00 -1.02 0.87 0.21 -0.36 0.00 0.00 175.35 175.05 1y92 s LYS 62 N 4.33 4.60 0.18 4.03 2.20 -1.26 0.06 119.74 133.87 1y92 s LYS 62 Ca 0.75 1.27 -0.05 0.00 -0.36 0.00 0.00 55.97 57.59 1y92 s LYS 62 Cb -0.32 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1y92 s LYS 62 CO 0.31 0.23 0.20 0.14 -0.36 0.00 0.00 175.35 175.86 1y92 s VAL 63 N 0.03 0.04 0.05 4.02 -7.23 -0.01 -4.90 120.40 112.40 1y92 s VAL 63 Ca 0.43 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.65 1y92 s VAL 63 Cb -0.22 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 1y92 s VAL 63 CO 0.27 -0.20 0.62 -0.89 -0.31 0.00 0.00 175.10 174.58 1y92 s THR 64 N -4.06 4.76 0.93 5.32 2.01 -1.26 -3.38 115.64 119.97 1y92 s THR 64 Ca 0.27 1.32 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1y92 s THR 64 Cb 0.05 -3.96 0.15 0.00 0.01 0.00 0.00 72.50 68.76 1y92 s THR 64 CO 0.06 0.48 1.09 0.00 -0.69 0.00 0.00 174.62 175.56 1y92 h LYS 66 N -1.74 0.00 -0.50 0.00 1.57 -1.93 -2.81 116.57 111.15 1y92 h LYS 66 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1y92 h LYS 66 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1y92 h LYS 66 CO 0.52 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 1y92 n ASP 67 N -3.07 2.67 0.00 0.86 5.75 -1.26 -4.92 116.55 116.58 1y92 n ASP 67 Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1y92 n ASP 67 Cb 0.33 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.30 2.12 3.71 6.12 0.00 -1.06 -5.04 105.19 112.33 1y92 n GLY 68 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.43 1.20 -0.06 1.61 -0.21 -1.26 -4.78 119.66 115.73 1y92 s GLN 69 Ca 0.00 0.82 0.10 0.00 0.02 0.00 0.00 55.36 56.31 1y92 s GLN 69 Cb 0.00 -1.80 0.25 0.00 1.00 0.00 0.00 33.01 32.46 1y92 s GLN 69 CO 0.00 -2.28 1.19 0.25 -2.12 0.00 0.00 175.29 172.33 1y92 n THR 70 N -3.91 1.42 -1.35 -0.19 -2.24 -1.26 -1.49 114.28 105.26 1y92 n THR 70 Ca 0.07 -1.40 -0.30 0.00 -2.27 0.00 0.00 64.05 60.15 1y92 n THR 70 Cb 0.55 0.22 0.11 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.35 6.20 -4.85 3.42 6.94 -1.26 -4.85 115.26 120.50 1y92 n ASN 71 Ca 0.11 -3.74 -0.34 0.00 -0.02 0.00 0.00 54.58 50.59 1y92 n ASN 71 Cb 0.50 -0.89 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 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 -1.17 0.85 -0.12 0.00 1.51 0.63 -0.83 117.35 118.22 1y92 s TYR 73 Ca 0.21 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1y92 s TYR 73 Cb -0.12 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1y92 s TYR 73 CO 0.12 -0.01 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.38 1y92 s GLN 74 N -0.51 3.29 0.31 -0.62 0.74 0.11 -1.23 119.66 121.75 1y92 s GLN 74 Ca 0.02 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 1y92 s GLN 74 Cb -0.05 -2.84 -0.10 0.00 1.10 0.00 0.00 33.01 31.12 1y92 s GLN 74 CO 0.00 0.48 1.34 -1.54 -0.55 0.00 0.00 175.29 175.02 1y92 s SER 75 N -0.28 6.74 0.47 6.67 1.04 -0.32 -3.02 113.70 124.99 1y92 s SER 75 Ca 0.05 2.68 0.22 0.00 0.48 0.00 0.00 55.95 59.38 1y92 s SER 75 Cb -0.12 -2.64 1.16 0.00 0.10 0.00 0.00 66.02 64.52 1y92 s SER 75 CO 0.02 -0.58 1.98 0.11 0.98 0.00 0.00 173.24 175.75 1y92 h LYS 76 N 3.82 0.00 -5.09 4.02 1.57 -1.95 -3.44 116.57 115.51 1y92 h LYS 76 Ca -0.48 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.91 1y92 h LYS 76 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 1y92 h LYS 76 CO 0.69 0.20 -0.64 -1.54 -0.57 0.00 0.00 179.45 177.58 1y92 s SER 77 N -6.47 1.84 0.70 0.86 1.04 -1.26 -5.12 113.70 105.29 1y92 s SER 77 Ca -0.03 -1.27 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 1y92 s SER 77 Cb 0.14 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1y92 s SER 77 CO 0.64 -0.56 1.09 0.42 0.98 0.00 0.00 173.24 175.81 1y92 s THR 78 N -3.44 3.42 0.06 2.02 -4.23 -1.26 -4.53 115.64 107.68 1y92 s THR 78 Ca 0.31 0.57 0.03 0.00 -1.18 0.00 0.00 61.69 61.43 1y92 s THR 78 Cb 0.07 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1y92 s THR 78 CO 0.11 -0.50 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.54 1y92 s MET 79 N -4.48 0.68 -0.22 3.99 -1.94 0.14 -4.87 119.30 112.60 1y92 s MET 79 Ca 0.64 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 53.42 1y92 s MET 79 Cb -0.18 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.15 1y92 s MET 79 CO 0.48 0.10 1.11 1.03 -0.01 0.00 0.00 175.02 177.72 1y92 s ARG 80 N -1.87 4.22 0.14 2.03 0.52 -1.26 -1.89 118.95 120.85 1y92 s ARG 80 Ca -0.04 1.41 0.03 0.00 -0.52 0.00 0.00 55.73 56.60 1y92 s ARG 80 Cb -0.09 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 1y92 s ARG 80 CO 0.01 -0.69 -0.07 0.96 0.02 0.00 0.00 175.30 175.53 1y92 s ILE 81 N 3.36 0.93 -0.10 1.52 -4.36 -0.46 -0.85 121.20 121.23 1y92 s ILE 81 Ca 0.47 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1y92 s ILE 81 Cb -0.16 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.68 1y92 s ILE 81 CO 0.10 -0.71 -0.16 -0.89 0.24 0.00 0.00 174.94 173.52 1y92 s THR 82 N -3.48 1.50 -0.18 8.37 2.01 0.26 -1.77 115.64 122.35 1y92 s THR 82 Ca 0.17 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 1y92 s THR 82 Cb 0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1y92 s THR 82 CO 0.00 0.44 0.41 -0.62 -0.69 0.00 0.00 174.62 174.16 1y92 s ASP 83 N 0.90 6.49 -0.27 3.53 2.15 0.12 -1.28 116.67 128.31 1y92 s ASP 83 Ca -0.08 0.58 -0.02 0.00 0.43 0.00 0.00 52.55 53.46 1y92 s ASP 83 Cb -0.15 -2.24 0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1y92 s ASP 83 CO -0.00 -0.04 -0.04 0.00 -0.17 0.00 0.00 175.17 174.91 1y92 s ARG 85 N 1.29 2.83 0.30 0.00 3.52 -0.95 -1.58 118.95 124.37 1y92 s ARG 85 Ca -0.02 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 1y92 s ARG 85 Cb -0.18 -2.16 -0.12 0.00 -1.56 0.00 0.00 34.95 30.93 1y92 s ARG 85 CO -0.03 0.15 1.56 -1.91 -0.81 0.00 0.00 175.30 174.26 1y92 n GLU 86 N 3.59 2.65 -2.76 5.12 2.13 -0.33 -0.25 120.64 130.78 1y92 n GLU 86 Ca -0.20 0.94 -0.23 0.00 0.66 0.00 0.00 57.16 58.33 1y92 n GLU 86 Cb 0.53 -2.70 0.02 0.00 0.27 0.00 0.00 31.44 29.56 1y92 n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1y92 s THR 87 N -0.20 3.52 0.29 6.31 -4.23 -0.29 -4.82 115.64 116.22 1y92 s THR 87 Ca 0.62 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1y92 s THR 87 Cb -0.50 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.28 1y92 s THR 87 CO 0.51 -0.25 1.94 1.23 -0.54 0.00 0.00 174.62 177.50 1y92 h GLY 88 N 0.17 1.27 0.43 3.99 0.00 -1.94 -1.46 103.07 105.53 1y92 h GLY 88 Ca -0.45 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1y92 h GLY 88 CO 0.57 0.38 0.00 -1.14 0.00 0.00 0.00 176.54 176.34 1y92 n SER 89 N -4.44 0.00 -4.74 0.19 3.41 -1.26 -4.84 113.62 101.93 1y92 n SER 89 Ca 0.12 -1.47 -0.41 0.00 -0.26 0.00 0.00 58.87 56.85 1y92 n SER 89 Cb 0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.47 7.50 -0.30 4.04 0.15 -0.55 -4.85 113.70 118.23 1y92 s SER 90 Ca 0.19 1.91 -0.00 0.00 0.70 0.00 0.00 55.95 58.76 1y92 s SER 90 Cb 0.09 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.99 1y92 s SER 90 CO 0.15 -0.02 0.59 -0.75 1.20 0.00 0.00 173.24 174.41 1y92 s LYS 91 N -0.50 0.56 0.22 5.44 2.20 -0.67 -4.90 119.74 122.08 1y92 s LYS 91 Ca 0.45 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 1y92 s LYS 91 Cb -0.26 0.47 -0.15 0.00 -1.51 0.00 0.00 37.83 36.38 1y92 s LYS 91 CO 0.32 -0.68 0.97 0.98 -0.36 0.00 0.00 175.35 176.58 1y92 n TYR 92 N 5.43 0.91 1.23 4.03 9.36 -1.26 0.27 117.16 137.12 1y92 n TYR 92 Ca -0.00 0.76 0.12 0.00 3.32 0.00 0.00 57.90 62.10 1y92 n TYR 92 Cb 0.51 -2.20 0.65 0.00 -0.63 0.00 0.00 39.34 37.67 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 1.17 0.39 -1.89 2.98 -0.04 -1.26 -4.94 135.00 131.40 1y92 n PRO 93 Ca 0.14 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1y92 n PRO 93 Cb 0.27 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.26 5.39 -4.70 3.54 4.13 0.14 -4.96 115.26 117.53 1y92 n ASN 94 Ca 0.13 -2.92 -0.42 0.00 1.68 0.00 0.00 54.58 53.04 1y92 n ASN 94 Cb 0.19 -1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.85 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 1.73 1.63 0.10 0.00 0.00 -1.26 -4.92 121.76 119.04 1y92 s ALA 96 Ca 0.62 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1y92 s ALA 96 Cb -0.32 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1y92 s ALA 96 CO 0.28 0.36 -0.09 0.71 0.00 0.00 0.00 175.76 177.01 1y92 s TYR 97 N -0.26 1.04 -0.16 0.00 2.02 -1.26 -1.14 117.35 117.59 1y92 s TYR 97 Ca 0.03 -0.73 -0.05 0.00 -0.37 0.00 0.00 57.07 55.94 1y92 s TYR 97 Cb -0.09 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1y92 s TYR 97 CO 0.01 -0.03 0.01 0.21 -1.57 0.00 0.00 175.55 174.18 1y92 s LYS 98 N -3.19 3.74 -0.13 -0.62 2.20 0.65 -4.69 119.74 117.69 1y92 s LYS 98 Ca 0.08 -0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 55.12 1y92 s LYS 98 Cb -0.00 -3.03 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1y92 s LYS 98 CO -0.01 0.30 0.33 0.99 -0.36 0.00 0.00 175.35 176.60 1y92 s THR 99 N 0.24 5.26 -0.08 3.43 2.01 -1.26 -2.24 115.64 123.00 1y92 s THR 99 Ca 0.00 0.63 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1y92 s THR 99 Cb -0.13 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1y92 s THR 99 CO 0.02 0.41 0.05 -0.89 -0.69 0.00 0.00 174.62 173.52 1y92 s THR 100 N 0.24 0.01 -0.14 -0.82 2.01 -0.46 -4.99 115.64 111.49 1y92 s THR 100 Ca 0.19 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 1y92 s THR 100 Cb -0.14 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1y92 s THR 100 CO 0.06 0.08 0.34 -1.10 -0.69 0.00 0.00 174.62 173.32 1y92 s GLN 101 N 2.11 4.25 0.25 4.92 -0.21 -1.26 0.12 119.66 129.84 1y92 s GLN 101 Ca 0.04 0.20 -0.05 0.00 0.02 0.00 0.00 55.36 55.57 1y92 s GLN 101 Cb -0.13 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.45 1y92 s GLN 101 CO -0.05 0.25 0.33 0.14 -2.12 0.00 0.00 175.29 173.84 1y92 s VAL 102 N 0.41 0.00 -0.28 1.09 -7.23 -0.73 -5.01 120.40 108.66 1y92 s VAL 102 Ca 0.19 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1y92 s VAL 102 Cb -0.14 -2.41 0.08 0.00 0.56 0.00 0.00 36.38 34.47 1y92 s VAL 102 CO 0.06 0.00 0.02 -1.61 -0.31 0.00 0.00 175.10 173.26 1y92 s GLU 103 N -3.86 1.27 0.22 4.82 2.02 -1.26 -1.36 118.70 120.55 1y92 s GLU 103 Ca 0.31 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 54.14 1y92 s GLU 103 Cb 0.02 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1y92 s GLU 103 CO 0.13 -0.78 0.12 0.15 0.02 0.00 0.00 175.26 174.90 1y92 s LYS 104 N 1.38 1.26 0.40 1.61 1.02 -0.79 -4.74 119.74 119.88 1y92 s LYS 104 Ca 0.02 -1.67 -0.23 0.00 0.02 0.00 0.00 55.97 54.12 1y92 s LYS 104 Cb -0.18 0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.13 1y92 s LYS 104 CO -0.12 -0.36 0.96 -1.01 -0.92 0.00 0.00 175.35 173.90 1y92 s HIS 105 N -4.03 3.41 0.20 3.18 3.76 0.32 0.25 115.29 122.38 1y92 s HIS 105 Ca 0.39 1.66 0.10 0.00 -0.15 0.00 0.00 55.06 57.06 1y92 s HIS 105 Cb 0.07 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 1y92 s HIS 105 CO 0.12 -0.08 -0.12 0.96 -0.85 0.00 0.00 174.74 174.78 1y92 s ILE 106 N -1.96 3.00 -0.15 0.60 -4.36 -1.26 -0.11 121.20 116.96 1y92 s ILE 106 Ca 0.58 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1y92 s ILE 106 Cb -0.13 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.10 1y92 s ILE 106 CO 0.18 -0.18 -0.13 -0.63 0.24 0.00 0.00 174.94 174.42 1y92 s ILE 107 N -1.86 1.51 0.14 8.37 1.01 0.17 -1.17 121.20 129.37 1y92 s ILE 107 Ca 0.25 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1y92 s ILE 107 Cb -0.08 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1y92 s ILE 107 CO 0.15 0.43 -0.19 0.68 0.00 0.00 0.00 174.94 176.01 1y92 s VAL 108 N 1.51 1.73 -0.05 2.92 -7.23 -0.37 0.12 120.40 119.03 1y92 s VAL 108 Ca 0.05 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1y92 s VAL 108 Cb -0.13 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1y92 s VAL 108 CO -0.10 -0.25 0.29 0.00 -0.31 0.00 0.00 175.10 174.73 1y92 s ALA 109 N -1.78 3.77 0.12 1.32 0.00 0.00 -0.27 121.76 124.92 1y92 s ALA 109 Ca 0.12 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.76 1y92 s ALA 109 Cb -0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1y92 s ALA 109 CO 0.05 0.53 -0.16 0.00 0.00 0.00 0.00 175.76 176.18 1y92 s GLY 111 N -2.18 0.00 0.00 0.00 0.00 -0.13 -4.87 107.32 100.14 1y92 s GLY 111 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1y92 s GLY 111 CO 0.11 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1y92 n GLY 112 N -0.48 -1.45 2.73 0.20 0.00 -1.26 -1.51 105.19 103.42 1y92 n GLY 112 Ca -0.05 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 1y92 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y92 s LYS 113 N -1.30 0.53 0.75 1.61 3.01 -1.26 -2.31 119.74 120.77 1y92 s LYS 113 Ca 0.00 -0.18 -0.13 0.00 -1.01 0.00 0.00 55.97 54.65 1y92 s LYS 113 Cb 0.00 -1.65 0.05 0.00 -1.01 0.00 0.00 37.83 35.22 1y92 s LYS 113 CO 0.00 -0.53 1.14 -1.25 0.51 0.00 0.00 175.35 175.22 1y92 s PRO 114 N 1.95 2.16 -0.14 -1.68 0.04 -1.26 -5.08 135.00 130.97 1y92 s PRO 114 Ca 0.02 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1y92 s PRO 114 Cb -0.15 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1y92 s PRO 114 CO -0.07 -1.76 1.49 0.45 0.04 0.00 0.00 177.00 177.15 1y92 s SER 115 N -2.63 6.69 0.21 6.66 0.15 -0.98 -4.89 113.70 118.92 1y92 s SER 115 Ca 0.68 1.85 0.04 0.00 0.70 0.00 0.00 55.95 59.22 1y92 s SER 115 Cb -0.23 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 1y92 s SER 115 CO 0.49 -0.96 -0.03 0.68 1.20 0.00 0.00 173.24 174.62 1y92 s VAL 116 N 4.14 1.11 0.21 4.45 -7.23 -0.57 -4.82 120.40 117.70 1y92 s VAL 116 Ca 0.66 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 1y92 s VAL 116 Cb -0.26 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 1y92 s VAL 116 CO 0.24 -0.44 1.52 -2.84 -0.31 0.00 0.00 175.10 173.27 1y92 s PRO 117 N -3.82 4.23 0.00 4.82 0.02 -1.26 -0.96 135.00 138.02 1y92 s PRO 117 Ca 0.25 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1y92 s PRO 117 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1y92 s PRO 117 CO 0.07 -0.53 0.19 1.33 -0.33 0.00 0.00 177.00 177.72 1y92 n VAL 118 N 3.13 0.00 -3.64 3.83 0.24 0.14 -4.88 118.33 117.15 1y92 n VAL 118 Ca 0.10 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1y92 n VAL 118 Cb 0.39 1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.20 -0.88 -0.34 6.34 5.65 -1.18 -4.97 115.29 119.71 1y92 s HIS 119 Ca 0.00 1.84 -0.21 0.00 0.25 0.00 0.00 55.06 56.95 1y92 s HIS 119 Cb 0.00 0.49 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 1y92 s HIS 119 CO 0.00 -0.43 0.66 0.12 -0.65 0.00 0.00 174.74 174.44 1y92 s PHE 120 N 1.20 3.16 -0.19 3.88 2.19 -1.26 -0.82 117.98 126.15 1y92 s PHE 120 Ca -0.07 0.46 -0.23 0.00 0.33 0.00 0.00 56.93 57.42 1y92 s PHE 120 Cb -0.05 -3.14 -0.21 0.00 -1.31 0.00 0.00 43.02 38.31 1y92 s PHE 120 CO -0.13 -0.60 0.36 0.22 1.83 0.00 0.00 175.22 176.89 1y92 h ASP 121 N 8.37 0.00 -5.71 6.13 3.58 -0.66 -3.48 116.42 124.65 1y92 h ASP 121 Ca -0.26 -0.64 0.29 0.00 0.42 0.00 0.00 57.03 56.85 1y92 h ASP 121 Cb 1.11 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.10 1y92 h ASP 121 CO 0.84 1.37 0.81 0.00 -2.88 0.00 0.00 179.24 179.38 1y92 s ALA 122 N -2.33 -2.21 -0.02 -0.78 0.00 -0.76 -4.97 121.76 110.69 1y92 s ALA 122 Ca -0.26 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1y92 s ALA 122 Cb 0.04 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 1y92 s ALA 122 CO 0.62 -1.12 -0.13 -1.54 0.00 0.00 0.00 175.76 173.59 1y92 s SER 123 N -3.62 1.60 0.00 0.00 1.04 -1.26 0.43 113.70 111.89 1y92 s SER 123 Ca 0.26 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1y92 s SER 123 Cb -0.01 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1y92 s SER 123 CO 0.01 0.13 0.38 0.55 0.98 0.00 0.00 173.24 175.28