#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5d s GLU 2 N 0.00 4.19 0.96 1.97 2.12 -1.26 -5.03 118.70 121.65 1r5d s GLU 2 Ca 0.00 0.74 -0.10 0.00 0.36 0.00 0.00 54.97 55.97 1r5d s GLU 2 Cb 0.00 -3.61 0.17 0.00 0.26 0.00 0.00 34.13 30.95 1r5d s GLU 2 CO 0.00 -0.37 1.13 -1.54 -0.54 0.00 0.00 175.26 173.93 1r5d s SER 3 N 1.30 2.52 0.27 -1.70 1.04 -1.26 -4.79 113.70 111.08 1r5d s SER 3 Ca 0.31 2.09 -0.00 0.00 0.48 0.00 0.00 55.95 58.82 1r5d s SER 3 Cb -0.16 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.82 1r5d s SER 3 CO 0.09 -3.34 1.77 0.00 0.98 0.00 0.00 173.24 172.75 1r5d h ALA 4 N -2.03 1.14 -0.34 5.32 0.00 -1.99 -1.19 119.26 120.17 1r5d h ALA 4 Ca -0.46 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1r5d h ALA 4 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1r5d h ALA 4 CO 0.43 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 180.04 1r5d h ALA 5 N 1.30 0.49 -0.06 0.00 0.00 -2.00 -1.81 119.26 117.19 1r5d h ALA 5 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1r5d h ALA 5 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1r5d h ALA 5 CO 0.02 0.43 -0.47 0.00 0.00 0.00 0.00 179.25 179.23 1r5d h ALA 6 N 0.77 1.11 -0.23 0.00 0.00 -1.91 -1.92 119.26 117.08 1r5d h ALA 6 Ca 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1r5d h ALA 6 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1r5d h ALA 6 CO 0.05 0.62 -0.08 -0.22 0.00 0.00 0.00 179.25 179.63 1r5d h LYS 7 N 0.11 0.46 -0.53 0.00 3.64 -1.09 -2.00 116.57 117.16 1r5d h LYS 7 Ca 0.00 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1r5d h LYS 7 Cb 0.88 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 1r5d h LYS 7 CO 0.07 0.71 0.25 0.35 -2.27 0.00 0.00 179.45 178.56 1r5d h PHE 8 N 0.19 0.46 -0.52 1.91 3.04 -1.12 0.86 116.94 121.75 1r5d h PHE 8 Ca 0.06 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.06 1r5d h PHE 8 Cb 0.55 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.90 1r5d h PHE 8 CO 0.06 0.20 0.31 0.93 -2.02 0.00 0.00 178.31 177.79 1r5d h GLU 9 N 0.48 0.59 -0.12 1.11 5.08 -1.21 -0.26 114.58 120.25 1r5d h GLU 9 Ca 0.24 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1r5d h GLU 9 Cb 0.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r5d h GLU 9 CO -0.19 0.39 0.00 -0.09 -1.00 0.00 0.00 179.01 178.12 1r5d h ARG 10 N 0.61 0.22 0.00 2.33 2.43 -0.75 -1.87 114.38 117.34 1r5d h ARG 10 Ca 0.21 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1r5d h ARG 10 Cb 0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1r5d h ARG 10 CO -0.10 0.46 -0.26 1.96 -1.51 0.00 0.00 179.97 180.52 1r5d h GLN 11 N -0.05 0.00 0.00 0.20 4.20 -0.71 -3.40 115.11 115.35 1r5d h GLN 11 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1r5d h GLN 11 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1r5d h GLN 11 CO 0.01 0.26 -0.15 0.72 -0.67 0.00 0.00 178.83 178.99 1r5d n HIS 12 N -3.34 0.00 -3.68 2.96 8.25 -0.12 -5.07 115.22 114.22 1r5d n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1r5d n HIS 12 Cb 0.49 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.52 1r5d n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1r5d s MET 13 N -0.61 4.17 -0.43 -0.41 -1.94 -0.71 -4.98 119.30 114.39 1r5d s MET 13 Ca 0.00 -0.19 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 1r5d s MET 13 Cb 0.00 -3.46 0.27 0.00 2.01 0.00 0.00 34.83 33.66 1r5d s MET 13 CO 0.00 0.22 0.76 -3.47 -0.01 0.00 0.00 175.02 172.52 1r5d n ASP 14 N 3.76 -1.03 -4.71 3.03 2.03 -1.26 -4.84 116.55 113.53 1r5d n ASP 14 Ca -0.15 -3.09 -0.42 0.00 0.52 0.00 0.00 54.79 51.65 1r5d n ASP 14 Cb 0.52 0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 41.39 1r5d n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r5d s SER 15 N -1.57 6.40 0.00 1.67 0.01 -1.26 -4.93 113.70 114.01 1r5d s SER 15 Ca 0.33 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.42 1r5d s SER 15 Cb 0.24 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1r5d s SER 15 CO -0.14 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1r5d n GLY 16 N 4.11 0.99 0.13 3.44 0.00 -1.26 -5.03 105.19 107.57 1r5d n GLY 16 Ca 0.17 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1r5d n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r5d n ASN 17 N 0.00 1.96 -3.53 1.61 3.02 -1.26 -4.70 115.26 112.36 1r5d n ASN 17 Ca 0.00 0.26 -0.27 0.00 -0.03 0.00 0.00 54.58 54.54 1r5d n ASN 17 Cb 0.00 -0.81 -0.09 0.00 -0.61 0.00 0.00 39.78 38.27 1r5d n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r5d n SER 18 N -3.99 3.27 0.03 6.41 7.64 -1.26 -4.91 113.62 120.82 1r5d n SER 18 Ca -0.41 -3.32 -0.07 0.00 1.01 0.00 0.00 58.87 56.08 1r5d n SER 18 Cb 0.87 -0.69 0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1r5d n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1r5d h PRO 19 N 4.50 0.44 -0.32 1.43 0.13 -1.92 -3.06 132.00 133.20 1r5d h PRO 19 Ca 0.18 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1r5d h PRO 19 Cb 0.70 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1r5d h PRO 19 CO 0.77 0.86 0.00 0.43 -0.23 0.00 0.00 178.00 179.83 1r5d n SER 20 N -3.95 0.32 -4.76 1.44 7.64 -1.26 -4.85 113.62 108.19 1r5d n SER 20 Ca -0.03 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.46 1r5d n SER 20 Cb 0.58 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1r5d n SER 20 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r5d s SER 21 N -0.68 7.01 0.49 6.43 0.15 -1.16 -4.94 113.70 121.00 1r5d s SER 21 Ca 0.00 2.49 0.15 0.00 0.70 0.00 0.00 55.95 59.29 1r5d s SER 21 Cb 0.00 -2.64 1.15 0.00 -1.71 0.00 0.00 66.02 62.83 1r5d s SER 21 CO 0.00 -0.35 2.09 0.77 1.20 0.00 0.00 173.24 176.95 1r5d h SER 22 N 3.58 0.02 0.21 5.45 4.64 -1.92 -1.14 113.55 124.39 1r5d h SER 22 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1r5d h SER 22 Cb 1.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1r5d h SER 22 CO 0.66 0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.16 1r5d n SER 23 N -4.46 0.00 -0.14 4.97 3.41 -1.26 -0.40 113.62 115.74 1r5d n SER 23 Ca -0.03 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1r5d n SER 23 Cb 0.15 -0.34 0.22 0.00 -0.26 0.00 0.00 64.21 63.98 1r5d n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r5d n ASN 24 N -1.34 0.91 -0.34 4.04 4.13 -0.43 -4.40 115.26 117.83 1r5d n ASN 24 Ca 0.04 -0.71 -0.01 0.00 1.68 0.00 0.00 54.58 55.58 1r5d n ASN 24 Cb 0.08 0.33 0.05 0.00 -1.54 0.00 0.00 39.78 38.70 1r5d n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1r5d h TYR 25 N 0.68 -0.96 -0.59 3.10 3.20 -0.85 -2.19 116.97 119.36 1r5d h TYR 25 Ca 0.00 0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1r5d h TYR 25 Cb 0.53 0.55 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1r5d h TYR 25 CO 0.00 -0.40 0.12 0.00 -1.64 0.00 0.00 178.16 176.24 1r5d h ASN 27 N 0.86 0.02 -0.10 0.00 2.35 -1.70 0.81 115.58 117.83 1r5d h ASN 27 Ca 0.18 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1r5d h ASN 27 Cb 0.38 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1r5d h ASN 27 CO 0.01 0.05 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.46 1r5d h LEU 28 N 0.20 0.43 -0.69 1.61 3.38 -1.45 -2.61 115.31 116.18 1r5d h LEU 28 Ca 0.17 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1r5d h LEU 28 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1r5d h LEU 28 CO -0.22 0.96 -0.12 0.24 0.09 0.00 0.00 178.44 179.40 1r5d h MET 29 N -0.08 0.90 0.00 1.13 2.86 -0.94 0.77 114.93 119.56 1r5d h MET 29 Ca -0.01 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1r5d h MET 29 Cb 0.92 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1r5d h MET 29 CO 0.06 0.96 -0.21 0.52 1.06 0.00 0.00 176.91 179.30 1r5d h MET 30 N 0.80 0.00 0.00 1.72 2.86 0.60 0.12 114.93 121.03 1r5d h MET 30 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1r5d h MET 30 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1r5d h MET 30 CO 0.04 0.21 -0.24 0.00 1.06 0.00 0.00 176.91 177.99 1r5d n ARG 33 N -5.05 0.93 -2.69 0.00 5.12 0.03 -4.89 116.66 110.11 1r5d n ARG 33 Ca 0.11 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.82 1r5d n ARG 33 Cb 0.34 -1.30 0.01 0.00 -1.16 0.00 0.00 32.46 30.36 1r5d n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1r5d n LYS 34 N -0.16 -3.03 -0.69 5.56 5.02 -0.52 -4.90 118.16 119.44 1r5d n LYS 34 Ca 0.00 0.90 0.08 0.00 -2.02 0.00 0.00 58.31 57.27 1r5d n LYS 34 Cb 0.15 -5.63 0.34 0.00 -0.02 0.00 0.00 35.03 29.87 1r5d n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1r5d n MET 35 N -3.41 4.03 -0.75 1.97 2.81 -0.52 -4.26 117.12 116.99 1r5d n MET 35 Ca -0.17 -3.01 0.05 0.00 -1.81 0.00 0.00 57.70 52.76 1r5d n MET 35 Cb 0.65 -2.06 0.11 0.00 -0.71 0.00 0.00 33.22 31.20 1r5d n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1r5d n THR 36 N 0.20 1.18 -3.80 2.03 -2.24 -1.23 -2.59 114.28 107.83 1r5d n THR 36 Ca 0.25 -1.94 -0.36 0.00 -2.27 0.00 0.00 64.05 59.73 1r5d n THR 36 Cb 1.05 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1r5d n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1r5d s GLN 37 N -1.75 3.87 0.00 -0.78 -0.21 -1.26 -4.46 119.66 115.07 1r5d s GLN 37 Ca 0.30 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.31 1r5d s GLN 37 Cb 0.31 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1r5d s GLN 37 CO -0.07 0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1r5d n GLY 38 N 4.40 1.93 3.77 3.09 0.00 -1.26 -4.89 105.19 112.23 1r5d n GLY 38 Ca -0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 1r5d n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r5d s LYS 39 N 0.00 1.62 -0.32 1.61 0.00 -1.26 -5.06 119.74 116.33 1r5d s LYS 39 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 55.97 54.96 1r5d s LYS 39 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 37.83 38.39 1r5d s LYS 39 CO 0.00 -0.74 0.39 0.00 0.00 0.00 0.00 175.35 175.00 1r5d s LYS 41 N 2.10 3.92 0.26 0.00 2.20 -1.07 -4.89 119.74 122.27 1r5d s LYS 41 Ca 0.14 1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 57.61 1r5d s LYS 41 Cb -0.16 -4.02 0.50 0.00 -1.51 0.00 0.00 37.83 32.63 1r5d s LYS 41 CO 0.11 -1.14 1.79 -1.00 -0.36 0.00 0.00 175.35 174.75 1r5d h PRO 42 N 10.39 0.74 -3.43 4.03 0.13 -1.94 -3.44 132.00 138.47 1r5d h PRO 42 Ca -0.36 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 1r5d h PRO 42 Cb 1.16 -0.17 -0.24 0.00 0.13 0.00 0.00 31.00 31.89 1r5d h PRO 42 CO 0.98 0.49 -0.52 0.08 -0.23 0.00 0.00 178.00 178.80 1r5d s VAL 43 N -5.98 0.04 -0.28 1.56 1.01 -1.26 -1.78 120.40 113.71 1r5d s VAL 43 Ca -0.12 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1r5d s VAL 43 Cb 0.21 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.36 1r5d s VAL 43 CO 0.79 -0.18 0.81 0.21 0.00 0.00 0.00 175.10 176.73 1r5d s ASN 44 N -0.61 -0.69 -0.10 3.32 2.47 -0.81 -5.03 114.94 113.48 1r5d s ASN 44 Ca -0.07 1.27 -0.02 0.00 0.42 0.00 0.00 52.86 54.46 1r5d s ASN 44 Cb -0.04 1.29 -0.03 0.00 -1.45 0.00 0.00 41.25 41.01 1r5d s ASN 44 CO 0.01 -0.21 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.26 1r5d s THR 45 N 0.68 4.06 -0.08 -5.21 2.01 -1.26 -1.41 115.64 114.43 1r5d s THR 45 Ca -0.02 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1r5d s THR 45 Cb -0.05 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1r5d s THR 45 CO -0.06 0.57 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.03 1r5d s PHE 46 N -0.47 3.03 -0.14 4.92 0.08 0.13 -4.96 117.98 120.57 1r5d s PHE 46 Ca 0.08 0.06 -0.03 0.00 0.12 0.00 0.00 56.93 57.15 1r5d s PHE 46 Cb -0.12 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1r5d s PHE 46 CO 0.02 0.35 -0.03 0.08 -0.10 0.00 0.00 175.22 175.54 1r5d s VAL 47 N -0.73 3.96 -1.43 -0.44 1.01 -1.26 -0.38 120.40 121.12 1r5d s VAL 47 Ca 0.11 -0.35 0.19 0.00 0.00 0.00 0.00 61.98 61.94 1r5d s VAL 47 Cb -0.11 -2.71 0.63 0.00 0.00 0.00 0.00 36.38 34.18 1r5d s VAL 47 CO 0.02 0.52 1.54 1.41 0.00 0.00 0.00 175.10 178.58 1r5d n HIS 48 N 3.19 1.12 -2.68 5.22 -0.00 0.71 -4.98 115.22 117.80 1r5d n HIS 48 Ca -0.18 -0.56 -0.23 0.00 -0.00 0.00 0.00 57.72 56.75 1r5d n HIS 48 Cb 0.53 -0.11 0.03 0.00 -0.00 0.00 0.00 29.99 30.43 1r5d n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1r5d s GLU 49 N -1.41 2.79 0.61 -0.41 0.41 -1.26 -4.97 118.70 114.46 1r5d s GLU 49 Ca 0.46 -0.45 -0.19 0.00 -0.41 0.00 0.00 54.97 54.38 1r5d s GLU 49 Cb 0.27 -2.44 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 1r5d s GLU 49 CO 0.27 -0.59 1.10 0.45 -0.49 0.00 0.00 175.26 176.00 1r5d n SER 50 N -2.35 1.34 0.27 -0.19 2.88 -1.26 -4.87 113.62 109.44 1r5d n SER 50 Ca 0.05 0.83 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 1r5d n SER 50 Cb 0.59 -1.46 0.62 0.00 -0.75 0.00 0.00 64.21 63.20 1r5d n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1r5d h LEU 51 N 0.58 0.00 -0.40 2.46 5.85 -1.98 -2.53 115.31 119.29 1r5d h LEU 51 Ca -0.49 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1r5d h LEU 51 Cb 1.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1r5d h LEU 51 CO 0.52 0.00 -0.64 0.00 -0.34 0.00 0.00 178.44 177.98 1r5d h ALA 52 N 2.00 0.58 -0.13 1.25 0.00 -1.98 -1.17 119.26 119.81 1r5d h ALA 52 Ca -0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1r5d h ALA 52 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r5d h ALA 52 CO 0.00 0.71 -0.69 -0.44 0.00 0.00 0.00 179.25 178.83 1r5d h ASP 53 N 0.43 0.63 -0.11 0.00 3.32 -1.83 -1.91 116.42 116.95 1r5d h ASP 53 Ca -0.01 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 1r5d h ASP 53 Cb 1.21 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.59 1r5d h ASP 53 CO 0.12 1.14 -0.61 0.58 -1.72 0.00 0.00 179.24 178.75 1r5d h VAL 54 N 0.38 1.34 -0.04 -1.35 2.07 -1.47 -3.16 116.25 114.02 1r5d h VAL 54 Ca -0.02 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1r5d h VAL 54 Cb 1.27 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1r5d h VAL 54 CO 0.13 0.58 -0.18 0.11 0.02 0.00 0.00 177.57 178.23 1r5d h LYS 55 N 0.25 0.06 0.00 1.57 1.57 -1.22 -1.90 116.57 116.89 1r5d h LYS 55 Ca -0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1r5d h LYS 55 Cb 1.26 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1r5d h LYS 55 CO 0.13 0.24 -0.13 0.00 -0.57 0.00 0.00 179.45 179.12 1r5d h ALA 56 N 1.77 1.45 -0.17 3.86 0.00 -1.31 -2.66 119.26 122.19 1r5d h ALA 56 Ca 0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1r5d h ALA 56 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r5d h ALA 56 CO 0.02 0.16 0.22 0.28 0.00 0.00 0.00 179.25 179.93 1r5d h VAL 57 N 0.00 0.40 0.00 0.00 2.07 -1.37 -0.64 116.25 116.71 1r5d h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1r5d h VAL 57 Cb 0.29 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1r5d h VAL 57 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1r5d n SER 59 N -0.96 1.16 0.00 0.00 3.41 -0.25 -5.06 113.62 111.93 1r5d n SER 59 Ca 0.10 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1r5d n SER 59 Cb 0.04 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1r5d n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5d n GLN 60 N -0.47 3.80 -1.69 4.33 6.02 -0.94 -5.06 117.38 123.37 1r5d n GLN 60 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 1r5d n GLN 60 Cb 0.79 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.01 1r5d n GLN 60 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1r5d n LYS 61 N 0.00 2.75 -2.83 -1.09 4.81 -1.19 -4.83 118.16 115.78 1r5d n LYS 61 Ca 0.00 1.00 -0.39 0.00 -0.87 0.00 0.00 58.31 58.04 1r5d n LYS 61 Cb 0.00 -2.88 -0.06 0.00 0.02 0.00 0.00 35.03 32.11 1r5d n LYS 61 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1r5d s LYS 62 N 2.52 4.72 0.13 1.64 2.36 -1.26 0.00 119.74 129.86 1r5d s LYS 62 Ca 0.81 1.35 -0.18 0.00 -2.55 0.00 0.00 55.97 55.40 1r5d s LYS 62 Cb -0.50 -3.21 0.05 0.00 -1.05 0.00 0.00 37.83 33.12 1r5d s LYS 62 CO 0.37 0.50 0.47 0.14 1.55 0.00 0.00 175.35 178.38 1r5d s VAL 63 N -1.23 0.05 0.10 4.02 -7.23 -0.41 -4.87 120.40 110.83 1r5d s VAL 63 Ca 0.41 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.90 1r5d s VAL 63 Cb -0.24 -1.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 1r5d s VAL 63 CO 0.29 -0.21 0.93 -0.89 -0.31 0.00 0.00 175.10 174.92 1r5d s THR 64 N -3.74 4.55 0.99 5.32 2.01 -1.26 -3.09 115.64 120.42 1r5d s THR 64 Ca 0.02 2.01 -0.12 0.00 0.31 0.00 0.00 61.69 63.91 1r5d s THR 64 Cb 0.01 -4.29 0.19 0.00 0.01 0.00 0.00 72.50 68.41 1r5d s THR 64 CO -0.12 0.32 1.08 0.00 -0.69 0.00 0.00 174.62 175.21 1r5d h LYS 66 N -1.92 0.00 -0.19 0.00 1.57 -1.90 -3.01 116.57 111.12 1r5d h LYS 66 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1r5d h LYS 66 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1r5d h LYS 66 CO 0.54 0.37 0.00 0.27 -0.57 0.00 0.00 179.45 180.06 1r5d n ASN 67 N -4.05 1.42 0.00 0.86 6.94 -1.26 -4.91 115.26 114.26 1r5d n ASN 67 Ca -0.02 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 1r5d n ASN 67 Cb 0.41 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1r5d n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r5d n GLY 68 N 1.03 3.34 3.72 4.83 0.00 -1.14 -5.05 105.19 111.92 1r5d n GLY 68 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1r5d n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r5d s GLN 69 N -0.93 2.24 -0.05 1.61 -0.21 -1.26 -4.74 119.66 116.32 1r5d s GLN 69 Ca 0.00 1.81 0.15 0.00 0.02 0.00 0.00 55.36 57.34 1r5d s GLN 69 Cb 0.00 -1.84 0.49 0.00 1.00 0.00 0.00 33.01 32.66 1r5d s GLN 69 CO 0.00 -1.77 1.41 0.25 -2.12 0.00 0.00 175.29 173.06 1r5d n THR 70 N -2.54 1.38 -1.25 -0.19 -2.24 -1.26 -1.02 114.28 107.16 1r5d n THR 70 Ca 0.14 -1.18 -0.31 0.00 -2.27 0.00 0.00 64.05 60.42 1r5d n THR 70 Cb 0.50 0.30 0.09 0.00 -2.10 0.00 0.00 70.33 69.12 1r5d n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1r5d n ASN 71 N 0.67 6.95 -4.81 3.42 6.94 -1.26 -4.83 115.26 122.34 1r5d n ASN 71 Ca 0.18 -3.68 -0.29 0.00 -0.02 0.00 0.00 54.58 50.77 1r5d n ASN 71 Cb 0.63 -0.96 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 1r5d n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r5d s TYR 73 N -1.50 0.39 -0.11 0.00 1.51 -0.57 -1.29 117.35 115.79 1r5d s TYR 73 Ca 0.31 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1r5d s TYR 73 Cb -0.12 -0.25 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 1r5d s TYR 73 CO 0.23 -0.12 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.27 1r5d s GLN 74 N -1.28 3.13 0.44 -0.62 0.74 0.10 -1.47 119.66 120.69 1r5d s GLN 74 Ca -0.11 -0.69 -0.25 0.00 0.05 0.00 0.00 55.36 54.35 1r5d s GLN 74 Cb -0.09 -2.56 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 1r5d s GLN 74 CO -0.00 0.33 1.38 -1.13 -0.55 0.00 0.00 175.29 175.32 1r5d n SER 75 N 3.17 3.05 -0.06 6.67 3.41 0.04 -3.18 113.62 126.72 1r5d n SER 75 Ca -0.18 1.12 -0.09 0.00 -0.26 0.00 0.00 58.87 59.45 1r5d n SER 75 Cb 0.53 -1.57 0.06 0.00 -0.26 0.00 0.00 64.21 62.97 1r5d n SER 75 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1r5d h LYS 76 N 2.22 0.74 -6.06 4.33 1.57 -1.95 -3.44 116.57 113.97 1r5d h LYS 76 Ca -0.50 -0.36 -0.55 0.00 -1.87 0.00 0.00 60.65 57.37 1r5d h LYS 76 Cb 1.28 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 1r5d h LYS 76 CO 0.61 0.98 -0.53 -1.12 -0.57 0.00 0.00 179.45 178.81 1r5d s SER 77 N -6.82 4.62 0.60 0.86 0.01 -1.26 -5.08 113.70 106.63 1r5d s SER 77 Ca -0.09 -0.83 -0.14 0.00 1.31 0.00 0.00 55.95 56.20 1r5d s SER 77 Cb 0.12 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1r5d s SER 77 CO 0.85 -0.34 1.03 0.42 0.41 0.00 0.00 173.24 175.61 1r5d s THR 78 N -2.46 4.23 0.06 1.44 -4.23 -1.26 -4.54 115.64 108.89 1r5d s THR 78 Ca 0.38 0.90 0.04 0.00 -1.18 0.00 0.00 61.69 61.83 1r5d s THR 78 Cb -0.01 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 1r5d s THR 78 CO 0.23 -0.77 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.39 1r5d s MET 79 N -4.54 0.71 -0.48 3.99 -1.94 0.12 -4.89 119.30 112.26 1r5d s MET 79 Ca 0.59 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 53.37 1r5d s MET 79 Cb -0.13 -0.55 0.02 0.00 2.01 0.00 0.00 34.83 36.18 1r5d s MET 79 CO 0.43 0.11 1.25 1.03 -0.01 0.00 0.00 175.02 177.83 1r5d s ARG 80 N -1.89 3.61 0.21 2.03 0.52 -1.26 -2.21 118.95 119.96 1r5d s ARG 80 Ca -0.04 0.61 0.09 0.00 -0.52 0.00 0.00 55.73 55.88 1r5d s ARG 80 Cb -0.09 -3.98 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 1r5d s ARG 80 CO 0.01 -1.53 -0.18 0.96 0.02 0.00 0.00 175.30 174.58 1r5d s ILE 81 N 4.96 1.98 -0.16 1.52 -4.36 -0.81 -0.20 121.20 124.13 1r5d s ILE 81 Ca 0.51 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1r5d s ILE 81 Cb -0.09 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.58 1r5d s ILE 81 CO 0.31 -0.43 -0.20 -0.89 0.24 0.00 0.00 174.94 173.97 1r5d s THR 82 N -2.49 2.18 -0.17 8.37 2.01 0.48 -2.06 115.64 123.96 1r5d s THR 82 Ca 0.22 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 1r5d s THR 82 Cb -0.04 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1r5d s THR 82 CO 0.09 0.54 0.21 -0.62 -0.69 0.00 0.00 174.62 174.15 1r5d s ASP 83 N 1.00 6.34 -0.15 3.53 2.15 0.21 -0.69 116.67 129.05 1r5d s ASP 83 Ca -0.02 0.39 0.01 0.00 0.43 0.00 0.00 52.55 53.36 1r5d s ASP 83 Cb -0.15 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1r5d s ASP 83 CO -0.05 0.15 -0.18 0.00 -0.17 0.00 0.00 175.17 174.92 1r5d s ARG 85 N 0.80 0.33 0.42 0.00 0.52 -1.14 -1.93 118.95 117.95 1r5d s ARG 85 Ca -0.06 -0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 54.88 1r5d s ARG 85 Cb -0.15 -0.42 -0.10 0.00 0.52 0.00 0.00 34.95 34.80 1r5d s ARG 85 CO -0.01 -0.04 1.08 0.39 0.02 0.00 0.00 175.30 176.74 1r5d n GLU 86 N 3.64 1.48 -2.63 3.54 1.02 -0.73 -1.04 120.64 125.92 1r5d n GLU 86 Ca -0.21 0.53 -0.25 0.00 -0.02 0.00 0.00 57.16 57.22 1r5d n GLU 86 Cb 0.54 -2.13 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1r5d n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r5d s THR 87 N -1.25 3.69 -1.27 2.62 -4.23 -0.48 -4.78 115.64 109.93 1r5d s THR 87 Ca 0.63 -0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1r5d s THR 87 Cb -0.55 -3.42 0.11 0.00 1.34 0.00 0.00 72.50 69.98 1r5d s THR 87 CO 0.57 -0.37 1.16 0.61 -0.54 0.00 0.00 174.62 176.05 1r5d n GLY 88 N -2.38 -0.62 0.41 3.99 0.00 -1.26 -1.75 105.19 103.58 1r5d n GLY 88 Ca 0.04 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1r5d n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r5d n SER 89 N -1.37 1.77 -4.70 1.61 7.64 -1.26 -4.97 113.62 112.35 1r5d n SER 89 Ca 0.03 -1.39 -0.42 0.00 1.01 0.00 0.00 58.87 58.10 1r5d n SER 89 Cb 0.07 0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1r5d n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r5d s SER 90 N -2.12 7.24 -0.10 6.43 0.15 -0.72 -4.91 113.70 119.67 1r5d s SER 90 Ca 0.15 1.67 -0.04 0.00 0.70 0.00 0.00 55.95 58.43 1r5d s SER 90 Cb 0.15 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1r5d s SER 90 CO 0.47 -0.41 0.21 -0.75 1.20 0.00 0.00 173.24 173.95 1r5d s LYS 91 N 1.64 0.10 0.40 5.44 2.20 -1.22 -4.90 119.74 123.40 1r5d s LYS 91 Ca 0.52 0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 56.49 1r5d s LYS 91 Cb -0.21 -0.16 -0.11 0.00 -1.51 0.00 0.00 37.83 35.84 1r5d s LYS 91 CO 0.23 -0.27 1.07 0.98 -0.36 0.00 0.00 175.35 177.00 1r5d n TYR 92 N 5.14 1.42 0.61 4.03 9.36 -1.26 0.12 117.16 136.58 1r5d n TYR 92 Ca -0.09 0.56 0.03 0.00 3.32 0.00 0.00 57.90 61.72 1r5d n TYR 92 Cb 0.50 -2.27 0.13 0.00 -0.63 0.00 0.00 39.34 37.08 1r5d n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1r5d n PRO 93 N 0.21 2.11 -2.20 2.98 -0.04 -1.26 -4.93 135.00 131.88 1r5d n PRO 93 Ca 0.09 -1.03 -0.39 0.00 -0.04 0.00 0.00 63.50 62.12 1r5d n PRO 93 Cb 0.38 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1r5d n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r5d n ASN 94 N 0.23 7.46 -4.75 3.54 4.13 0.12 -5.01 115.26 120.97 1r5d n ASN 94 Ca 0.09 -3.54 -0.41 0.00 1.68 0.00 0.00 54.58 52.40 1r5d n ASN 94 Cb 0.46 -1.20 -0.01 0.00 -1.54 0.00 0.00 39.78 37.49 1r5d n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r5d s ALA 96 N -0.12 0.59 0.07 0.00 0.00 -1.26 -4.96 121.76 116.08 1r5d s ALA 96 Ca 0.63 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1r5d s ALA 96 Cb -0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1r5d s ALA 96 CO 0.50 0.14 -0.09 0.71 0.00 0.00 0.00 175.76 177.02 1r5d s TYR 97 N -0.18 0.90 -0.13 0.00 2.02 -1.26 -1.38 117.35 117.33 1r5d s TYR 97 Ca 0.03 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.07 1r5d s TYR 97 Cb -0.03 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1r5d s TYR 97 CO -0.00 -0.05 0.06 0.21 -1.57 0.00 0.00 175.55 174.20 1r5d s LYS 98 N -2.34 3.47 -0.17 -0.62 2.36 -0.20 -4.74 119.74 117.50 1r5d s LYS 98 Ca -0.01 -0.32 -0.12 0.00 -2.55 0.00 0.00 55.97 52.98 1r5d s LYS 98 Cb -0.05 -3.04 -0.05 0.00 -1.05 0.00 0.00 37.83 33.64 1r5d s LYS 98 CO -0.00 0.55 0.22 0.99 1.55 0.00 0.00 175.35 178.66 1r5d s THR 99 N -0.43 5.36 -0.05 3.43 2.01 -1.26 -2.87 115.64 121.82 1r5d s THR 99 Ca 0.09 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1r5d s THR 99 Cb -0.12 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1r5d s THR 99 CO 0.02 0.44 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.47 1r5d s THR 100 N 0.20 0.50 -0.24 -0.82 2.01 -0.40 -4.98 115.64 111.91 1r5d s THR 100 Ca 0.13 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 1r5d s THR 100 Cb -0.12 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1r5d s THR 100 CO 0.02 0.23 0.07 -1.10 -0.69 0.00 0.00 174.62 173.15 1r5d s GLN 101 N 1.14 3.70 0.22 4.92 -0.21 -1.26 0.65 119.66 128.82 1r5d s GLN 101 Ca -0.08 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 54.82 1r5d s GLN 101 Cb -0.14 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 1r5d s GLN 101 CO -0.01 -0.12 0.20 0.14 -2.12 0.00 0.00 175.29 173.38 1r5d s VAL 102 N 1.44 0.00 -0.21 1.09 -7.23 -0.88 -5.02 120.40 109.60 1r5d s VAL 102 Ca 0.06 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1r5d s VAL 102 Cb -0.15 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.37 1r5d s VAL 102 CO 0.04 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.08 1r5d s GLU 103 N -4.06 2.39 0.17 4.82 2.02 -1.26 -1.93 118.70 120.86 1r5d s GLU 103 Ca 0.36 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 1r5d s GLU 103 Cb 0.05 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1r5d s GLU 103 CO 0.13 -0.41 0.14 0.15 0.02 0.00 0.00 175.26 175.28 1r5d s LYS 104 N 1.26 1.12 0.29 1.61 1.02 -0.94 -4.83 119.74 119.27 1r5d s LYS 104 Ca -0.02 -1.50 -0.24 0.00 0.02 0.00 0.00 55.97 54.22 1r5d s LYS 104 Cb -0.17 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 1r5d s LYS 104 CO -0.09 -0.36 0.88 -1.01 -0.92 0.00 0.00 175.35 173.85 1r5d s HIS 105 N -4.09 3.69 0.07 3.18 3.76 0.16 0.13 115.29 122.18 1r5d s HIS 105 Ca 0.31 1.68 0.03 0.00 -0.15 0.00 0.00 55.06 56.92 1r5d s HIS 105 Cb 0.06 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.88 1r5d s HIS 105 CO 0.07 0.26 0.05 0.96 -0.85 0.00 0.00 174.74 175.23 1r5d s ILE 106 N -1.57 4.37 -0.13 0.60 -4.36 -1.26 -0.49 121.20 118.36 1r5d s ILE 106 Ca 0.48 -0.78 0.01 0.00 -0.26 0.00 0.00 60.65 60.10 1r5d s ILE 106 Cb -0.18 -3.08 0.02 0.00 1.25 0.00 0.00 42.46 40.46 1r5d s ILE 106 CO 0.23 0.16 -0.17 -0.63 0.24 0.00 0.00 174.94 174.78 1r5d s ILE 107 N -1.32 1.70 0.09 8.37 1.01 0.22 -0.78 121.20 130.49 1r5d s ILE 107 Ca 0.27 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1r5d s ILE 107 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1r5d s ILE 107 CO 0.19 0.48 -0.09 0.68 0.00 0.00 0.00 174.94 176.20 1r5d s VAL 108 N 1.10 0.81 -0.12 2.92 -7.23 -0.54 -0.07 120.40 117.27 1r5d s VAL 108 Ca -0.03 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1r5d s VAL 108 Cb -0.14 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 1r5d s VAL 108 CO -0.05 -0.60 0.33 0.00 -0.31 0.00 0.00 175.10 174.47 1r5d s ALA 109 N -2.52 3.62 0.01 1.32 0.00 0.74 -1.51 121.76 123.42 1r5d s ALA 109 Ca 0.04 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1r5d s ALA 109 Cb -0.02 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1r5d s ALA 109 CO -0.01 0.20 -0.10 0.00 0.00 0.00 0.00 175.76 175.85 1r5d s GLY 111 N -1.40 0.31 0.00 0.00 0.00 -0.57 -4.88 107.32 100.78 1r5d s GLY 111 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1r5d s GLY 111 CO 0.07 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.46 1r5d n GLY 112 N -0.49 -0.65 2.68 0.20 0.00 -1.26 -2.08 105.19 103.59 1r5d n GLY 112 Ca -0.05 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 1r5d n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r5d s LYS 113 N -1.18 0.14 0.92 1.61 2.20 -1.26 -3.41 119.74 118.76 1r5d s LYS 113 Ca 0.00 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.56 1r5d s LYS 113 Cb 0.00 -1.47 0.15 0.00 -1.51 0.00 0.00 37.83 35.00 1r5d s LYS 113 CO 0.00 -0.68 1.14 -1.25 -0.36 0.00 0.00 175.35 174.21 1r5d s PRO 114 N 2.24 0.97 -0.32 4.03 0.04 -1.26 -5.09 135.00 135.61 1r5d s PRO 114 Ca 0.05 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1r5d s PRO 114 Cb -0.16 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1r5d s PRO 114 CO -0.12 -2.66 1.20 0.45 0.04 0.00 0.00 177.00 175.91 1r5d s SER 115 N -2.67 6.78 0.15 6.66 0.15 -1.22 -4.91 113.70 118.64 1r5d s SER 115 Ca 0.67 1.11 0.05 0.00 0.70 0.00 0.00 55.95 58.48 1r5d s SER 115 Cb -0.23 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1r5d s SER 115 CO 0.58 -1.01 -0.11 0.68 1.20 0.00 0.00 173.24 174.58 1r5d s VAL 116 N 4.08 1.26 0.23 4.45 -7.23 -0.88 -4.88 120.40 117.43 1r5d s VAL 116 Ca 0.51 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 1r5d s VAL 116 Cb -0.14 -1.80 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 1r5d s VAL 116 CO 0.20 -0.67 1.57 -2.84 -0.31 0.00 0.00 175.10 173.06 1r5d s PRO 117 N -3.52 4.18 0.00 4.82 0.02 -1.26 -1.51 135.00 137.74 1r5d s PRO 117 Ca 0.16 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1r5d s PRO 117 Cb 0.01 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1r5d s PRO 117 CO 0.02 -0.59 0.83 1.33 -0.33 0.00 0.00 177.00 178.26 1r5d n VAL 118 N 3.04 0.68 -3.65 3.83 0.24 0.23 -4.88 118.33 117.82 1r5d n VAL 118 Ca 0.11 -0.68 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 1r5d n VAL 118 Cb 0.38 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 1r5d n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1r5d s HIS 119 N -0.68 -0.23 -0.28 6.34 5.65 -1.16 -4.94 115.29 119.99 1r5d s HIS 119 Ca 0.00 0.49 -0.16 0.00 0.25 0.00 0.00 55.06 55.64 1r5d s HIS 119 Cb 0.00 0.28 -0.03 0.00 -1.18 0.00 0.00 32.58 31.65 1r5d s HIS 119 CO 0.00 -0.11 0.43 0.12 -0.65 0.00 0.00 174.74 174.53 1r5d s PHE 120 N 0.68 3.24 -0.16 3.88 2.19 -1.26 -0.19 117.98 126.37 1r5d s PHE 120 Ca -0.02 0.42 -0.08 0.00 0.33 0.00 0.00 56.93 57.59 1r5d s PHE 120 Cb -0.04 -2.66 -0.23 0.00 -1.31 0.00 0.00 43.02 38.78 1r5d s PHE 120 CO -0.12 -0.29 0.22 -3.47 1.83 0.00 0.00 175.22 173.39 1r5d n ASP 121 N 5.44 2.06 -3.70 6.13 2.03 0.90 -4.93 116.55 124.49 1r5d n ASP 121 Ca -0.07 0.19 0.04 0.00 0.52 0.00 0.00 54.79 55.47 1r5d n ASP 121 Cb 0.50 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1r5d n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r5d s ALA 122 N -2.52 -2.58 0.04 -1.67 0.00 -0.87 -4.90 121.76 109.26 1r5d s ALA 122 Ca -0.26 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1r5d s ALA 122 Cb 0.07 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1r5d s ALA 122 CO 0.71 -1.10 -0.10 -1.54 0.00 0.00 0.00 175.76 173.73 1r5d s SER 123 N -3.31 1.13 0.00 0.00 1.04 -1.26 0.72 113.70 112.02 1r5d s SER 123 Ca 0.21 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1r5d s SER 123 Cb 0.05 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1r5d s SER 123 CO -0.05 -0.10 0.20 0.55 0.98 0.00 0.00 173.24 174.81