#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1l s VAL 2 N 0.00 3.76 -0.14 0.58 0.11 -0.85 -1.54 120.40 122.32 1y1l s VAL 2 Ca 0.00 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.62 1y1l s VAL 2 Cb 0.00 -2.90 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 1y1l s VAL 2 CO 0.00 -0.14 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.23 1y1l s LEU 3 N -3.03 1.92 -0.40 2.54 0.20 -0.64 -2.06 118.68 117.20 1y1l s LEU 3 Ca 0.28 -0.54 -0.15 0.00 0.69 0.00 0.00 54.13 54.41 1y1l s LEU 3 Cb -0.09 -1.30 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 1y1l s LEU 3 CO 0.19 0.02 0.31 -0.36 -0.29 0.00 0.00 176.35 176.22 1y1l s PHE 4 N 1.08 3.23 -0.06 5.38 0.40 -0.28 -0.88 117.98 126.86 1y1l s PHE 4 Ca -0.02 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 1y1l s PHE 4 Cb -0.14 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 1y1l s PHE 4 CO -0.06 -0.58 -0.23 0.54 0.70 0.00 0.00 175.22 175.59 1y1l s VAL 5 N 1.73 1.90 0.23 -0.44 0.11 -0.93 -1.44 120.40 121.55 1y1l s VAL 5 Ca 0.06 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1y1l s VAL 5 Cb -0.19 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 1y1l s VAL 5 CO 0.10 0.53 0.11 0.00 -3.33 0.00 0.00 175.10 172.51 1y1l n ILE 7 N -0.49 0.00 0.54 0.00 5.41 -1.26 -1.74 119.36 121.82 1y1l n ILE 7 Ca -0.01 0.52 0.09 0.00 1.00 0.00 0.00 62.75 64.35 1y1l n ILE 7 Cb 0.36 -1.31 0.39 0.00 -0.71 0.00 0.00 39.64 38.36 1y1l n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1l n HIS 8 N -0.15 0.20 -3.54 1.39 1.44 -1.26 0.14 115.22 113.44 1y1l n HIS 8 Ca 0.00 0.07 -0.17 0.00 -2.01 0.00 0.00 57.72 55.61 1y1l n HIS 8 Cb 0.00 -0.62 0.00 0.00 0.12 0.00 0.00 29.99 29.49 1y1l n HIS 8 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1y1l n ASN 9 N -1.68 -5.90 0.00 4.39 4.05 -1.26 -4.38 115.26 110.48 1y1l n ASN 9 Ca 0.04 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.40 1y1l n ASN 9 Cb 0.21 -3.08 0.00 0.00 1.23 0.00 0.00 39.78 38.14 1y1l n ASN 9 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1y1l n THR 10 N -2.52 0.00 0.00 -0.44 -1.04 -1.26 -4.48 114.28 104.54 1y1l n THR 10 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1y1l n THR 10 Cb 0.62 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1y1l n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y1l n ALA 11 N -1.08 1.10 -0.28 2.41 0.00 -1.26 -1.59 120.51 119.81 1y1l n ALA 11 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1y1l n ALA 11 Cb 0.13 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.71 1y1l n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y1l h ARG 12 N 0.00 0.02 -0.32 0.00 3.08 -1.97 0.45 114.38 115.65 1y1l h ARG 12 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1y1l h ARG 12 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 1y1l h ARG 12 CO 0.00 0.02 -0.15 0.77 -1.07 0.00 0.00 179.97 179.54 1y1l h SER 13 N 0.03 -0.50 -0.24 7.04 0.02 -1.92 -0.58 113.55 117.40 1y1l h SER 13 Ca 0.40 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.39 1y1l h SER 13 Cb 0.66 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1y1l h SER 13 CO -0.79 -0.18 -0.14 0.58 -1.14 0.00 0.00 176.83 175.17 1y1l h VAL 14 N -0.09 1.25 0.72 2.27 2.07 -1.06 -2.84 116.25 118.58 1y1l h VAL 14 Ca 0.16 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1y1l h VAL 14 Cb 0.34 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1y1l h VAL 14 CO -0.38 0.38 -0.35 0.24 0.02 0.00 0.00 177.57 177.48 1y1l h MET 15 N 0.60 -0.93 -0.97 1.57 2.07 0.94 -2.87 114.93 115.33 1y1l h MET 15 Ca 0.10 0.06 0.19 0.00 -2.07 0.00 0.00 59.70 57.98 1y1l h MET 15 Cb 0.58 0.21 -0.11 0.00 -1.87 0.00 0.00 31.60 30.42 1y1l h MET 15 CO 0.04 -0.60 0.57 0.00 1.07 0.00 0.00 176.91 177.99 1y1l h ALA 16 N -0.91 1.60 0.60 6.32 0.00 -1.14 -1.62 119.26 124.11 1y1l h ALA 16 Ca -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1y1l h ALA 16 Cb 0.77 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1y1l h ALA 16 CO 0.16 -0.09 -0.35 1.49 0.00 0.00 0.00 179.25 180.46 1y1l h GLU 17 N 0.71 -0.86 -0.80 0.00 4.81 -1.49 0.08 114.58 117.02 1y1l h GLU 17 Ca 0.56 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.99 1y1l h GLU 17 Cb 0.89 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1y1l h GLU 17 CO -0.40 -0.57 0.38 0.00 -0.73 0.00 0.00 179.01 177.69 1y1l h ALA 18 N -1.41 1.17 -0.33 2.92 0.00 -1.22 -1.29 119.26 119.10 1y1l h ALA 18 Ca -0.08 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1y1l h ALA 18 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1y1l h ALA 18 CO 0.09 -0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 178.94 1y1l h LEU 19 N 0.55 0.74 0.46 0.00 3.38 -1.31 -2.75 115.31 116.39 1y1l h LEU 19 Ca 0.43 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1y1l h LEU 19 Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1y1l h LEU 19 CO -0.37 1.00 -0.47 0.15 0.09 0.00 0.00 178.44 178.84 1y1l h PHE 20 N 0.48 -1.29 -0.79 1.13 3.57 -0.37 -2.38 116.94 117.30 1y1l h PHE 20 Ca 0.07 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.75 1y1l h PHE 20 Cb 0.74 0.50 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 1y1l h PHE 20 CO 0.06 -0.63 0.53 -0.91 -2.23 0.00 0.00 178.31 175.13 1y1l h ASN 21 N -0.94 0.34 0.91 0.41 -0.26 -1.31 0.42 115.58 115.15 1y1l h ASN 21 Ca -0.05 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1y1l h ASN 21 Cb 0.82 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 1y1l h ASN 21 CO -0.07 0.16 0.00 0.00 -1.06 0.00 0.00 177.43 176.46 1y1l n ALA 22 N -2.54 2.07 -0.03 -0.83 0.00 -0.97 -3.85 120.51 114.35 1y1l n ALA 22 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1y1l n ALA 22 Cb 0.61 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1y1l n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y1l n MET 23 N -1.71 2.80 -2.83 0.00 2.81 0.11 -5.02 117.12 113.28 1y1l n MET 23 Ca 0.05 -0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.54 1y1l n MET 23 Cb 0.30 -1.18 -0.06 0.00 -0.71 0.00 0.00 33.22 31.57 1y1l n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y1l s ALA 24 N -2.18 3.35 -0.18 3.04 0.00 0.92 -5.00 121.76 121.71 1y1l s ALA 24 Ca -0.03 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 1y1l s ALA 24 Cb 0.02 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 1y1l s ALA 24 CO 0.29 0.17 -0.06 1.17 0.00 0.00 0.00 175.76 177.33 1y1l n LYS 25 N 1.94 0.51 -0.05 0.00 0.00 -1.26 -4.74 118.16 114.57 1y1l n LYS 25 Ca -0.02 0.50 -0.22 0.00 0.00 0.00 0.00 58.31 58.57 1y1l n LYS 25 Cb 0.48 -1.68 -0.13 0.00 0.00 0.00 0.00 35.03 33.71 1y1l n LYS 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1y1l n SER 26 N -4.50 2.04 -4.79 3.14 3.41 -1.26 -4.95 113.62 106.72 1y1l n SER 26 Ca -0.22 0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1y1l n SER 26 Cb 0.50 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1y1l n SER 26 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1y1l s TRP 27 N -2.51 2.83 0.49 7.33 0.52 -1.26 -4.93 118.94 121.42 1y1l s TRP 27 Ca -0.27 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.41 1y1l s TRP 27 Cb 0.07 -3.13 -0.01 0.00 -1.15 0.00 0.00 33.47 29.25 1y1l s TRP 27 CO 0.69 -1.28 0.04 0.15 0.02 0.00 0.00 176.95 176.57 1y1l s LYS 28 N -3.66 2.15 0.04 4.98 1.02 -1.26 -4.73 119.74 118.28 1y1l s LYS 28 Ca 0.68 -2.37 -0.09 0.00 0.02 0.00 0.00 55.97 54.20 1y1l s LYS 28 Cb -0.19 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 1y1l s LYS 28 CO 0.31 -0.44 0.19 0.00 -0.92 0.00 0.00 175.35 174.49 1y1l s ALA 29 N -2.98 -0.35 0.25 5.17 0.00 -1.26 -2.00 121.76 120.60 1y1l s ALA 29 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1y1l s ALA 29 Cb 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1y1l s ALA 29 CO 0.05 -0.36 0.24 -1.21 0.00 0.00 0.00 175.76 174.48 1y1l s GLU 30 N -2.56 1.46 0.07 0.00 2.02 -0.87 -4.96 118.70 113.85 1y1l s GLU 30 Ca -0.05 -1.71 -0.03 0.00 0.02 0.00 0.00 54.97 53.20 1y1l s GLU 30 Cb -0.01 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.51 1y1l s GLU 30 CO -0.04 -0.53 0.03 -1.54 0.02 0.00 0.00 175.26 173.21 1y1l s SER 31 N -3.21 0.38 0.19 -0.19 1.04 -1.26 -1.12 113.70 109.52 1y1l s SER 31 Ca 0.37 -0.95 -0.23 0.00 0.48 0.00 0.00 55.95 55.62 1y1l s SER 31 Cb 0.04 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.47 1y1l s SER 31 CO 0.17 -0.65 0.65 0.00 0.98 0.00 0.00 173.24 174.39 1y1l s ALA 32 N -3.93 -1.50 0.15 5.32 0.00 -0.52 -4.71 121.76 116.57 1y1l s ALA 32 Ca 0.09 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1y1l s ALA 32 Cb 0.07 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 1y1l s ALA 32 CO -0.08 -0.85 -0.10 0.20 0.00 0.00 0.00 175.76 174.93 1y1l s GLY 33 N -2.79 1.07 0.23 0.00 0.00 -0.67 -2.18 107.32 102.98 1y1l s GLY 33 Ca 0.04 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1y1l s GLY 33 CO -0.07 -1.59 1.55 -2.08 0.00 0.00 0.00 173.10 170.92 1y1l h VAL 34 N 2.78 1.39 -3.92 1.40 2.07 0.56 1.20 116.25 121.74 1y1l h VAL 34 Ca -0.37 -2.02 -0.37 0.00 0.82 0.00 0.00 66.70 64.77 1y1l h VAL 34 Cb 1.19 2.03 -0.21 0.00 -1.52 0.00 0.00 31.29 32.78 1y1l h VAL 34 CO 0.64 0.60 -0.76 -0.70 0.02 0.00 0.00 177.57 177.36 1y1l s GLU 35 N -3.73 0.76 0.57 1.57 2.12 -0.91 -4.82 118.70 114.26 1y1l s GLU 35 Ca -0.04 -0.94 -0.21 0.00 0.36 0.00 0.00 54.97 54.15 1y1l s GLU 35 Cb 0.12 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 1y1l s GLU 35 CO 0.80 0.14 1.29 0.36 -0.54 0.00 0.00 175.26 177.31 1y1l n LYS 36 N 1.23 1.50 -3.72 4.30 -0.00 -1.26 -4.43 118.16 115.78 1y1l n LYS 36 Ca -0.21 0.56 -0.12 0.00 -0.00 0.00 0.00 58.31 58.54 1y1l n LYS 36 Cb 0.55 -2.50 -0.10 0.00 -0.00 0.00 0.00 35.03 32.97 1y1l n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1y1l s ALA 37 N -1.33 -1.00 -0.05 0.58 0.00 -1.26 -4.98 121.76 113.73 1y1l s ALA 37 Ca 0.74 1.28 -0.24 0.00 0.00 0.00 0.00 51.96 53.75 1y1l s ALA 37 Cb -0.42 -0.76 -0.24 0.00 0.00 0.00 0.00 23.12 21.70 1y1l s ALA 37 CO 0.48 -0.22 1.02 0.93 0.00 0.00 0.00 175.76 177.96 1y1l h GLU 38 N 6.20 0.22 -6.32 0.00 4.39 -1.93 -3.40 114.58 113.73 1y1l h GLU 38 Ca -0.31 -0.24 -0.60 0.00 0.34 0.00 0.00 59.36 58.55 1y1l h GLU 38 Cb 1.18 0.07 -0.23 0.00 -0.10 0.00 0.00 28.75 29.67 1y1l h GLU 38 CO 0.27 0.98 -0.84 -0.98 -1.16 0.00 0.00 179.01 177.28 1y1l s ARG 39 N -3.04 1.27 0.26 2.33 1.04 -1.26 -4.63 118.95 114.93 1y1l s ARG 39 Ca -0.15 -1.14 -0.27 0.00 -1.04 0.00 0.00 55.73 53.13 1y1l s ARG 39 Cb 0.01 -1.54 -0.09 0.00 -2.04 0.00 0.00 34.95 31.29 1y1l s ARG 39 CO 0.76 0.37 0.90 0.08 -0.04 0.00 0.00 175.30 177.37 1y1l s VAL 40 N -1.04 4.22 0.21 4.99 1.01 -1.26 -4.81 120.40 123.71 1y1l s VAL 40 Ca 0.08 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.59 1y1l s VAL 40 Cb -0.10 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1y1l s VAL 40 CO 0.04 0.33 1.18 -0.67 0.00 0.00 0.00 175.10 175.98 1y1l n ASP 41 N 1.05 1.59 0.09 3.32 -0.08 -0.62 -4.89 116.55 117.01 1y1l n ASP 41 Ca -0.01 1.15 -0.07 0.00 -1.51 0.00 0.00 54.79 54.34 1y1l n ASP 41 Cb 0.49 -1.27 0.03 0.00 2.34 0.00 0.00 41.12 42.71 1y1l n ASP 41 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1y1l h GLU 42 N 3.28 0.19 -0.74 -0.67 4.39 -1.92 -2.42 114.58 116.68 1y1l h GLU 42 Ca -0.43 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.02 1y1l h GLU 42 Cb 1.33 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 1y1l h GLU 42 CO 0.69 0.90 0.21 1.15 -1.16 0.00 0.00 179.01 180.80 1y1l h THR 43 N 0.11 1.26 0.21 1.13 2.02 -1.98 -1.86 112.91 113.80 1y1l h THR 43 Ca -0.03 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1y1l h THR 43 Cb 1.41 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1y1l h THR 43 CO 0.12 0.37 -0.10 0.58 0.37 0.00 0.00 175.52 176.86 1y1l h VAL 44 N 1.10 0.88 0.00 3.16 2.07 -1.91 0.12 116.25 121.67 1y1l h VAL 44 Ca 0.23 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1y1l h VAL 44 Cb 0.34 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1y1l h VAL 44 CO -0.00 0.15 -0.06 0.07 0.02 0.00 0.00 177.57 177.75 1y1l h LYS 45 N -0.65 0.00 0.12 1.57 2.10 -1.42 0.33 116.57 118.62 1y1l h LYS 45 Ca -0.03 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1y1l h LYS 45 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1y1l h LYS 45 CO 0.05 0.06 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.41 1y1l h ARG 46 N 0.00 -0.16 -0.76 0.07 2.43 -1.23 -1.70 114.38 113.03 1y1l h ARG 46 Ca -0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1y1l h ARG 46 Cb 0.14 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1y1l h ARG 46 CO 0.01 0.32 0.50 -0.07 -1.51 0.00 0.00 179.97 179.21 1y1l h LEU 47 N -0.85 0.61 0.15 3.80 4.07 -0.02 0.32 115.31 123.39 1y1l h LEU 47 Ca -0.02 0.01 -0.31 0.00 0.08 0.00 0.00 57.88 57.65 1y1l h LEU 47 Cb 0.55 -0.11 0.03 0.00 1.08 0.00 0.00 40.66 42.20 1y1l h LEU 47 CO 0.03 0.37 -1.32 -0.07 -1.08 0.00 0.00 178.44 176.37 1y1l h LEU 48 N 0.68 0.79 -1.77 1.67 3.38 -0.45 -3.22 115.31 116.40 1y1l h LEU 48 Ca 0.35 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1y1l h LEU 48 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1y1l h LEU 48 CO -0.13 1.60 -0.13 0.00 0.09 0.00 0.00 178.44 179.87 1y1l h ALA 49 N 0.30 1.21 0.00 1.53 0.00 -0.34 0.72 119.26 122.68 1y1l h ALA 49 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1y1l h ALA 49 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1y1l h ALA 49 CO 0.25 0.17 0.00 1.49 0.00 0.00 0.00 179.25 181.15 1y1l h GLU 50 N 0.00 0.00 -0.43 0.00 4.81 -0.97 -2.49 114.58 115.50 1y1l h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1y1l h GLU 50 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1y1l h GLU 50 CO 0.02 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.17 1y1l n ARG 51 N -2.99 2.95 -2.70 1.92 0.63 0.26 -4.96 116.66 111.78 1y1l n ARG 51 Ca 0.02 -2.34 -0.11 0.00 -0.92 0.00 0.00 57.85 54.50 1y1l n ARG 51 Cb 0.39 -1.46 0.02 0.00 0.45 0.00 0.00 32.46 31.86 1y1l n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y1l n GLY 52 N 0.62 0.14 3.13 5.14 0.00 -0.53 -5.04 105.19 108.66 1y1l n GLY 52 Ca 0.16 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1y1l n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1l s LEU 53 N -3.52 1.93 -0.25 0.99 1.43 0.22 -4.94 118.68 114.55 1y1l s LEU 53 Ca 0.17 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1y1l s LEU 53 Cb -0.07 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1y1l s LEU 53 CO 0.21 0.16 0.20 -0.54 0.23 0.00 0.00 176.35 176.61 1y1l s LYS 54 N -0.02 4.05 1.08 1.70 3.01 -1.26 -1.64 119.74 126.66 1y1l s LYS 54 Ca -0.02 -0.22 -0.16 0.00 -1.01 0.00 0.00 55.97 54.55 1y1l s LYS 54 Cb -0.11 -3.57 0.23 0.00 -1.01 0.00 0.00 37.83 33.37 1y1l s LYS 54 CO 0.02 -0.02 1.14 0.00 0.51 0.00 0.00 175.35 176.99 1y1l s ALA 55 N 1.30 1.09 0.49 5.17 0.00 -1.26 -4.92 121.76 123.62 1y1l s ALA 55 Ca 0.09 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 1y1l s ALA 55 Cb -0.14 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 19.97 1y1l s ALA 55 CO 0.07 -3.07 1.29 0.21 0.00 0.00 0.00 175.76 174.26 1y1l s LYS 56 N -5.36 3.52 0.16 0.00 2.20 -1.26 -4.94 119.74 114.06 1y1l s LYS 56 Ca 0.69 2.09 -0.16 0.00 -0.36 0.00 0.00 55.97 58.24 1y1l s LYS 56 Cb -0.12 -2.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.80 1y1l s LYS 56 CO 0.55 -0.84 1.81 0.93 -0.36 0.00 0.00 175.35 177.45 1y1l h GLU 57 N 1.93 0.53 -2.71 4.03 3.07 -2.03 -3.45 114.58 115.95 1y1l h GLU 57 Ca -0.50 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.21 1y1l h GLU 57 Cb 1.27 -0.12 -0.23 0.00 -0.84 0.00 0.00 28.75 28.83 1y1l h GLU 57 CO 0.59 0.35 -0.21 -1.59 -1.40 0.00 0.00 179.01 176.75 1y1l s LYS 58 N -6.16 0.52 0.24 2.33 -2.85 -1.26 -4.70 119.74 107.86 1y1l s LYS 58 Ca -0.13 0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 55.06 1y1l s LYS 58 Cb 0.11 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 36.01 1y1l s LYS 58 CO 0.73 -0.07 1.53 -2.30 0.10 0.00 0.00 175.35 175.33 1y1l n PRO 59 N 2.70 2.35 -4.15 1.78 -0.02 -1.26 -4.99 135.00 131.41 1y1l n PRO 59 Ca -0.14 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 1y1l n PRO 59 Cb 0.57 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 1y1l n PRO 59 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1y1l s ARG 60 N -0.10 3.14 0.58 -0.52 1.70 -1.26 -4.84 118.95 117.65 1y1l s ARG 60 Ca 0.69 -0.76 -0.19 0.00 -0.47 0.00 0.00 55.73 55.00 1y1l s ARG 60 Cb -0.59 -2.70 -0.04 0.00 -0.57 0.00 0.00 34.95 31.05 1y1l s ARG 60 CO 0.46 -0.16 1.23 0.99 -1.08 0.00 0.00 175.30 176.74 1y1l s THR 61 N 1.25 2.53 -1.04 4.99 2.01 -1.26 -1.66 115.64 122.46 1y1l s THR 61 Ca 0.03 0.35 0.09 0.00 0.31 0.00 0.00 61.69 62.46 1y1l s THR 61 Cb -0.14 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1y1l s THR 61 CO -0.08 -0.06 1.27 0.55 -0.69 0.00 0.00 174.62 175.61 1y1l n VAL 62 N -1.44 1.35 0.07 3.82 3.14 0.41 -2.08 118.33 123.60 1y1l n VAL 62 Ca 0.13 0.34 -0.14 0.00 -2.96 0.00 0.00 64.34 61.70 1y1l n VAL 62 Cb 0.49 -1.19 -0.06 0.00 -1.06 0.00 0.00 33.84 32.02 1y1l n VAL 62 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1y1l h ASP 63 N 0.00 0.54 -0.01 6.55 -0.00 -1.90 -3.01 116.42 118.60 1y1l h ASP 63 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1y1l h ASP 63 Cb 0.14 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 1y1l h ASP 63 CO 0.00 1.26 0.00 -0.62 -0.00 0.00 0.00 179.24 179.88 1y1l n GLU 64 N -3.73 1.03 -3.99 0.28 1.02 -0.88 -4.78 120.64 109.59 1y1l n GLU 64 Ca -0.07 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.84 1y1l n GLU 64 Cb 0.86 -1.25 -0.17 0.00 -0.02 0.00 0.00 31.44 30.87 1y1l n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1y1l s VAL 65 N -1.53 0.36 -0.73 2.62 1.01 -1.14 -5.03 120.40 115.97 1y1l s VAL 65 Ca 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1y1l s VAL 65 Cb 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1y1l s VAL 65 CO 0.00 0.20 1.09 0.20 0.00 0.00 0.00 175.10 176.59 1y1l s ASN 66 N 1.19 6.24 0.32 3.32 -0.87 -1.26 -4.92 114.94 118.95 1y1l s ASN 66 Ca -0.07 -1.00 0.09 0.00 -1.57 0.00 0.00 52.86 50.31 1y1l s ASN 66 Cb -0.14 -2.46 0.94 0.00 -0.02 0.00 0.00 41.25 39.57 1y1l s ASN 66 CO -0.02 -1.50 1.63 -0.07 -2.57 0.00 0.00 177.10 174.57 1y1l h LEU 67 N 11.75 0.16 -1.70 0.60 3.38 -1.96 -2.42 115.31 125.12 1y1l h LEU 67 Ca -0.21 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y1l h LEU 67 Cb 1.06 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1y1l h LEU 67 CO 1.21 -0.22 0.28 0.44 0.09 0.00 0.00 178.44 180.25 1y1l h ASP 68 N 0.19 0.00 -0.05 -0.43 3.45 -1.95 -1.41 116.42 116.23 1y1l h ASP 68 Ca 0.66 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 58.10 1y1l h ASP 68 Cb 1.49 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.25 1y1l h ASP 68 CO -0.69 0.00 -0.03 0.44 -1.57 0.00 0.00 179.24 177.39 1y1l h ASP 69 N 0.00 0.20 -3.74 6.45 3.32 -1.86 -3.44 116.42 117.35 1y1l h ASP 69 Ca 0.00 -0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.55 1y1l h ASP 69 Cb 0.56 -0.05 0.06 0.00 0.22 0.00 0.00 39.33 40.12 1y1l h ASP 69 CO 0.00 0.28 0.20 -0.36 -1.72 0.00 0.00 179.24 177.64 1y1l s PHE 70 N -4.93 3.23 -0.05 4.55 0.40 -0.53 -4.83 117.98 115.82 1y1l s PHE 70 Ca -0.06 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 1y1l s PHE 70 Cb 0.16 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1y1l s PHE 70 CO 0.72 -0.90 0.61 -0.25 0.70 0.00 0.00 175.22 176.10 1y1l n ASP 71 N -2.65 1.23 -3.15 1.36 9.92 -0.59 -4.94 116.55 117.73 1y1l n ASP 71 Ca 0.05 -1.21 0.05 0.00 -0.53 0.00 0.00 54.79 53.15 1y1l n ASP 71 Cb 0.58 -0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.04 1y1l n ASP 71 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1y1l s LEU 72 N -0.22 -0.69 -0.41 0.64 1.98 -1.25 -4.69 118.68 114.04 1y1l s LEU 72 Ca 0.01 0.34 -0.11 0.00 -2.89 0.00 0.00 54.13 51.47 1y1l s LEU 72 Cb 0.00 1.54 0.05 0.00 0.66 0.00 0.00 46.19 48.45 1y1l s LEU 72 CO 0.01 -0.13 0.26 -0.51 -1.89 0.00 0.00 176.35 174.09 1y1l s ILE 73 N 2.93 4.58 -0.09 6.68 -1.16 -0.20 -1.63 121.20 132.31 1y1l s ILE 73 Ca 0.08 -1.08 -0.23 0.00 -0.51 0.00 0.00 60.65 58.92 1y1l s ILE 73 Cb -0.10 -3.67 -0.03 0.00 0.61 0.00 0.00 42.46 39.27 1y1l s ILE 73 CO -0.16 -0.39 0.68 0.54 -2.81 0.00 0.00 174.94 172.80 1y1l s VAL 74 N 1.53 5.05 -0.27 4.00 0.11 -0.06 -2.12 120.40 128.63 1y1l s VAL 74 Ca 0.03 1.37 -0.08 0.00 -2.93 0.00 0.00 61.98 60.38 1y1l s VAL 74 Cb -0.21 -4.01 -0.02 0.00 -1.53 0.00 0.00 36.38 30.61 1y1l s VAL 74 CO 0.05 0.23 0.08 -0.89 -3.33 0.00 0.00 175.10 171.25 1y1l s THR 75 N 0.97 4.27 -0.78 5.04 2.01 0.80 -2.20 115.64 125.75 1y1l s THR 75 Ca 0.35 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1y1l s THR 75 Cb -0.17 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.35 1y1l s THR 75 CO 0.16 0.24 1.12 -0.69 -0.69 0.00 0.00 174.62 174.76 1y1l s VAL 76 N 1.59 4.26 0.61 3.82 1.01 -0.49 -0.05 120.40 131.14 1y1l s VAL 76 Ca 0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1y1l s VAL 76 Cb -0.16 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1y1l s VAL 76 CO 0.04 -1.60 0.93 0.00 0.00 0.00 0.00 175.10 174.47 1y1l n GLU 78 N -2.64 0.31 0.20 0.00 -0.58 -1.26 -2.40 120.64 114.28 1y1l n GLU 78 Ca 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 1y1l n GLU 78 Cb 0.57 0.00 0.58 0.00 -0.57 0.00 0.00 31.44 32.02 1y1l n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1y1l h GLU 79 N 0.00 0.11 0.00 3.49 4.81 -1.96 -3.36 114.58 117.67 1y1l h GLU 79 Ca 0.00 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1y1l h GLU 79 Cb 0.00 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.21 1y1l h GLU 79 CO 0.00 0.10 -0.34 -1.13 -0.73 0.00 0.00 179.01 176.91 1y1l n SER 80 N -4.50 -1.90 -2.72 1.04 3.41 -1.26 -5.04 113.62 102.65 1y1l n SER 80 Ca -0.02 -2.46 -0.07 0.00 -0.26 0.00 0.00 58.87 56.06 1y1l n SER 80 Cb 0.10 1.03 0.06 0.00 -0.26 0.00 0.00 64.21 65.14 1y1l n SER 80 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y1l n SER 81 N -0.58 -2.43 -4.64 4.04 3.41 -1.26 -5.11 113.62 107.06 1y1l n SER 81 Ca -0.03 -2.84 -0.43 0.00 -0.26 0.00 0.00 58.87 55.31 1y1l n SER 81 Cb 0.84 1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 66.27 1y1l n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1l s VAL 83 N 4.04 3.49 -0.03 0.00 0.11 -1.26 -5.04 120.40 121.70 1y1l s VAL 83 Ca 0.53 1.46 -0.03 0.00 -2.93 0.00 0.00 61.98 61.01 1y1l s VAL 83 Cb -0.16 -3.93 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 1y1l s VAL 83 CO 0.20 0.33 0.13 0.54 -3.33 0.00 0.00 175.10 172.97 1y1l s VAL 84 N -1.02 5.14 0.19 2.04 0.11 -1.26 -5.02 120.40 120.59 1y1l s VAL 84 Ca 0.46 -0.18 0.07 0.00 -2.93 0.00 0.00 61.98 59.40 1y1l s VAL 84 Cb -0.32 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1y1l s VAL 84 CO 0.41 0.40 0.03 -0.76 -3.33 0.00 0.00 175.10 171.85 1y1l s LEU 85 N -1.64 3.38 -0.83 2.54 1.02 -1.26 -5.03 118.68 116.87 1y1l s LEU 85 Ca 0.23 -0.39 -0.18 0.00 0.02 0.00 0.00 54.13 53.80 1y1l s LEU 85 Cb -0.12 -2.00 -0.13 0.00 0.02 0.00 0.00 46.19 43.96 1y1l s LEU 85 CO 0.13 0.07 1.98 -0.81 0.02 0.00 0.00 176.35 177.74 1y1l n PRO 86 N -0.33 1.68 -3.67 1.29 -0.04 -1.26 -4.84 135.00 127.84 1y1l n PRO 86 Ca -0.09 -1.79 -0.08 0.00 -0.04 0.00 0.00 63.50 61.50 1y1l n PRO 86 Cb 0.56 -2.83 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 1y1l n PRO 86 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1y1l s THR 87 N 4.57 -0.10 -2.00 0.52 -1.32 -1.26 -4.97 115.64 111.08 1y1l s THR 87 Ca 0.53 0.05 0.10 0.00 -1.21 0.00 0.00 61.69 61.16 1y1l s THR 87 Cb 0.13 -0.81 0.29 0.00 -1.51 0.00 0.00 72.50 70.61 1y1l s THR 87 CO 0.08 0.02 1.30 0.47 -2.21 0.00 0.00 174.62 174.27 1y1l n ASP 88 N 4.42 0.00 -4.53 8.08 9.92 -1.26 -4.85 116.55 128.32 1y1l n ASP 88 Ca -0.20 -1.43 -0.29 0.00 -0.53 0.00 0.00 54.79 52.34 1y1l n ASP 88 Cb 0.56 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 41.22 1y1l n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1y1l s LYS 89 N -2.00 0.27 0.02 -1.24 -0.14 -1.26 -5.01 119.74 110.38 1y1l s LYS 89 Ca 0.16 0.30 -0.30 0.00 -1.36 0.00 0.00 55.97 54.76 1y1l s LYS 89 Cb 0.07 -1.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.45 1y1l s LYS 89 CO 0.12 -2.79 1.02 -1.25 -0.76 0.00 0.00 175.35 171.69 1y1l s PRO 90 N -5.16 4.54 -0.10 -1.68 0.04 -1.26 -4.99 135.00 126.38 1y1l s PRO 90 Ca 0.66 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 1y1l s PRO 90 Cb -0.15 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.99 1y1l s PRO 90 CO 0.56 -0.07 0.25 0.54 0.04 0.00 0.00 177.00 178.32 1y1l s VAL 91 N 0.95 -0.03 0.51 -0.36 0.11 -1.26 -1.04 120.40 119.29 1y1l s VAL 91 Ca 0.53 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.74 1y1l s VAL 91 Cb -0.23 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1y1l s VAL 91 CO 0.28 0.04 0.46 -0.89 -3.33 0.00 0.00 175.10 171.66 1y1l s THR 92 N 0.87 2.04 -0.06 5.04 2.01 -0.90 -4.95 115.64 119.69 1y1l s THR 92 Ca -0.06 -1.37 -0.00 0.00 0.31 0.00 0.00 61.69 60.57 1y1l s THR 92 Cb -0.07 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1y1l s THR 92 CO -0.06 0.00 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.72 1y1l s ARG 93 N -4.30 0.70 -0.24 4.92 0.52 -1.26 -0.14 118.95 119.16 1y1l s ARG 93 Ca 0.43 0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.63 1y1l s ARG 93 Cb -0.03 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.56 1y1l s ARG 93 CO 0.26 -0.20 -0.07 -1.58 0.02 0.00 0.00 175.30 173.73 1y1l s TRP 94 N 1.48 3.03 -0.63 -0.53 0.51 0.92 -4.91 118.94 118.82 1y1l s TRP 94 Ca -0.02 -1.47 -0.25 0.00 -2.12 0.00 0.00 56.10 52.23 1y1l s TRP 94 Cb -0.13 -2.05 0.04 0.00 -0.81 0.00 0.00 33.47 30.52 1y1l s TRP 94 CO -0.03 -0.71 1.08 -1.01 -0.51 0.00 0.00 176.95 175.77 1y1l s HIS 95 N 1.34 2.60 -0.08 -1.98 3.76 -1.26 -0.13 115.29 119.55 1y1l s HIS 95 Ca 0.01 -0.06 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1y1l s HIS 95 Cb -0.16 -4.35 0.01 0.00 1.11 0.00 0.00 32.58 29.19 1y1l s HIS 95 CO -0.05 -1.65 -0.17 0.42 -0.85 0.00 0.00 174.74 172.44 1y1l s ILE 96 N 4.62 1.52 0.16 0.60 1.01 -1.01 -4.99 121.20 123.11 1y1l s ILE 96 Ca 0.32 -0.71 -0.34 0.00 0.00 0.00 0.00 60.65 59.93 1y1l s ILE 96 Cb -0.11 -1.35 -0.15 0.00 0.01 0.00 0.00 42.46 40.86 1y1l s ILE 96 CO 0.17 0.44 1.36 1.21 0.00 0.00 0.00 174.94 178.12 1y1l n GLU 97 N 3.67 1.57 -2.53 2.79 2.13 -1.26 -4.74 120.64 122.28 1y1l n GLU 97 Ca -0.21 0.56 -0.43 0.00 0.66 0.00 0.00 57.16 57.74 1y1l n GLU 97 Cb 0.52 -2.20 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 1y1l n GLU 97 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1y1l s ASN 98 N 0.40 6.54 0.50 4.31 3.84 -1.26 -4.90 114.94 124.37 1y1l s ASN 98 Ca 0.76 0.55 0.29 0.00 0.21 0.00 0.00 52.86 54.67 1y1l s ASN 98 Cb -0.80 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 38.47 1y1l s ASN 98 CO 0.47 -1.31 1.90 1.55 -2.79 0.00 0.00 177.10 176.91 1y1l h PRO 99 N 9.66 0.00 -6.02 0.43 0.13 -1.91 -3.45 132.00 130.83 1y1l h PRO 99 Ca -0.24 0.00 -0.84 0.00 -0.87 0.00 0.00 66.00 64.05 1y1l h PRO 99 Cb 1.07 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.22 1y1l h PRO 99 CO 1.12 0.11 0.57 0.00 -0.23 0.00 0.00 178.00 179.56 1y1l n ALA 100 N -2.16 -1.72 0.00 -0.56 0.00 -1.26 -1.84 120.51 112.97 1y1l n ALA 100 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1y1l n ALA 100 Cb 0.37 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1y1l n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y1l n GLY 101 N 3.43 1.91 0.53 0.00 0.00 -1.26 -4.72 105.19 105.08 1y1l n GLY 101 Ca 0.28 -0.22 0.35 0.00 0.00 0.00 0.00 46.02 46.42 1y1l n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y1l h LYS 102 N 0.00 0.03 0.00 1.61 1.79 -1.68 -3.44 116.57 114.87 1y1l h LYS 102 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1y1l h LYS 102 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1y1l h LYS 102 CO 0.00 0.02 0.00 -3.47 -1.08 0.00 0.00 179.45 174.92 1y1l n ASP 103 N -4.21 0.00 0.00 0.86 -0.08 -1.17 -4.79 116.55 107.16 1y1l n ASP 103 Ca 0.26 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1y1l n ASP 103 Cb 1.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.71 1y1l n ASP 103 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1y1l n GLU 104 N 14.00 0.00 0.04 -0.67 0.28 -1.26 -2.48 120.64 130.54 1y1l n GLU 104 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1y1l n GLU 104 Cb 0.00 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.01 1y1l n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1y1l n GLY 105 N 0.00 -1.33 0.36 -1.84 0.00 -1.26 -4.21 105.19 96.92 1y1l n GLY 105 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.87 1y1l n GLY 105 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y1l h THR 106 N 0.00 0.64 -0.26 2.61 2.02 -1.79 -0.49 112.91 115.63 1y1l h THR 106 Ca 0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.98 1y1l h THR 106 Cb 0.70 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1y1l h THR 106 CO 0.00 0.12 0.10 1.88 0.37 0.00 0.00 175.52 177.98 1y1l h TYR 107 N 0.65 0.17 -0.89 3.16 -1.99 -1.69 0.20 116.97 116.57 1y1l h TYR 107 Ca 0.59 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.32 1y1l h TYR 107 Cb 1.07 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.72 1y1l h TYR 107 CO -0.00 0.08 0.52 0.00 -0.00 0.00 0.00 178.16 178.76 1y1l h ARG 108 N 0.22 1.22 -0.68 4.88 3.08 -1.38 0.24 114.38 121.97 1y1l h ARG 108 Ca 0.11 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1y1l h ARG 108 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1y1l h ARG 108 CO -0.11 0.87 0.36 -0.09 -1.07 0.00 0.00 179.97 179.93 1y1l h ARG 109 N 1.24 0.95 -0.55 0.04 1.12 -0.81 0.60 114.38 116.97 1y1l h ARG 109 Ca 0.32 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 59.03 1y1l h ARG 109 Cb -0.03 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 1y1l h ARG 109 CO -0.06 0.73 0.20 0.28 -3.11 0.00 0.00 179.97 178.01 1y1l h VAL 110 N 0.93 1.23 -0.62 0.20 2.07 -0.27 -2.40 116.25 117.38 1y1l h VAL 110 Ca 0.24 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1y1l h VAL 110 Cb 0.06 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1y1l h VAL 110 CO -0.04 0.28 0.34 0.25 0.02 0.00 0.00 177.57 178.42 1y1l h LEU 111 N 0.75 0.51 -0.29 2.57 5.85 0.29 -1.92 115.31 123.07 1y1l h LEU 111 Ca 0.18 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1y1l h LEU 111 Cb 0.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1y1l h LEU 111 CO -0.01 0.34 0.17 0.00 -0.34 0.00 0.00 178.44 178.60 1y1l h ALA 112 N 1.32 0.36 -0.33 1.25 0.00 -0.63 -1.62 119.26 119.61 1y1l h ALA 112 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1y1l h ALA 112 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1y1l h ALA 112 CO -0.17 -0.14 0.21 0.93 0.00 0.00 0.00 179.25 180.08 1y1l h GLU 113 N 0.36 0.44 -0.74 0.00 5.08 -1.13 0.12 114.58 118.72 1y1l h GLU 113 Ca 0.10 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1y1l h GLU 113 Cb 0.01 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1y1l h GLU 113 CO -0.02 0.31 0.49 0.82 -1.00 0.00 0.00 179.01 179.60 1y1l h ILE 114 N 0.44 1.04 -0.32 3.13 2.04 -1.25 -0.15 117.51 122.43 1y1l h ILE 114 Ca 0.12 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1y1l h ILE 114 Cb -0.03 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1y1l h ILE 114 CO -0.02 0.15 -0.33 -0.08 0.00 0.00 0.00 178.15 177.86 1y1l h GLU 115 N 0.80 0.78 -0.55 2.37 4.81 -0.36 0.45 114.58 122.88 1y1l h GLU 115 Ca 0.31 -0.42 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1y1l h GLU 115 Cb 0.22 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1y1l h GLU 115 CO -0.10 1.05 0.12 1.49 -0.73 0.00 0.00 179.01 180.84 1y1l h GLU 116 N 0.55 0.86 0.11 1.92 4.81 -0.32 -0.68 114.58 121.83 1y1l h GLU 116 Ca 0.05 -0.18 -0.25 0.00 -0.13 0.00 0.00 59.36 58.85 1y1l h GLU 116 Cb 0.91 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 30.19 1y1l h GLU 116 CO 0.08 0.78 -1.04 0.00 -0.73 0.00 0.00 179.01 178.10 1y1l h ARG 117 N 0.82 0.51 -0.29 1.92 3.08 -0.84 -2.81 114.38 116.78 1y1l h ARG 117 Ca 0.18 -0.69 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 1y1l h ARG 117 Cb 0.32 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1y1l h ARG 117 CO 0.00 1.30 0.06 0.28 -1.07 0.00 0.00 179.97 180.54 1y1l h VAL 118 N 0.05 1.23 -0.30 2.04 2.07 -0.04 0.82 116.25 122.12 1y1l h VAL 118 Ca -0.16 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.66 1y1l h VAL 118 Cb 1.75 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 1y1l h VAL 118 CO 0.20 0.25 -0.15 0.50 0.02 0.00 0.00 177.57 178.38 1y1l h LYS 119 N 0.29 -0.11 -0.08 1.57 3.64 -1.22 0.24 116.57 120.90 1y1l h LYS 119 Ca 0.09 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1y1l h LYS 119 Cb 0.32 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1y1l h LYS 119 CO 0.00 -0.07 0.05 -0.22 -2.27 0.00 0.00 179.45 176.94 1y1l h LYS 120 N -0.11 0.11 -0.49 1.90 3.64 -1.37 -2.93 116.57 117.32 1y1l h LYS 120 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1y1l h LYS 120 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1y1l h LYS 120 CO -0.37 0.14 0.32 1.25 -2.27 0.00 0.00 179.45 178.52 1y1l h LEU 121 N 0.05 0.50 -0.29 5.20 5.85 -0.22 -1.63 115.31 124.77 1y1l h LEU 121 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1y1l h LEU 121 Cb 0.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1y1l h LEU 121 CO -0.00 0.35 0.00 0.52 -0.34 0.00 0.00 178.44 178.96 1y1l n VAL 122 N -4.47 0.00 0.19 1.05 0.31 0.80 -2.58 118.33 113.64 1y1l n VAL 122 Ca 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 1y1l n VAL 122 Cb 0.12 -0.25 0.39 0.00 -0.91 0.00 0.00 33.84 33.19 1y1l n VAL 122 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y1l h GLY 123 N 3.13 0.00 0.00 2.92 0.00 -1.41 -3.49 103.07 104.22 1y1l h GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y1l h GLY 123 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33