#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 3.52 -0.13 0.58 0.11 -0.59 -1.78 120.40 122.11 1y1l s VAL 2 Ca 0.00 -1.78 0.01 0.00 -2.93 0.00 0.00 61.98 57.28 1y1l s VAL 2 Cb 0.00 -2.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1y1l s VAL 2 CO 0.00 -0.30 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.10 1y1l s LEU 3 N -3.47 1.74 -0.42 2.54 0.20 -0.73 -2.00 118.68 116.53 1y1l s LEU 3 Ca 0.30 -0.46 -0.15 0.00 0.69 0.00 0.00 54.13 54.51 1y1l s LEU 3 Cb -0.07 -1.15 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 1y1l s LEU 3 CO 0.19 -0.01 0.32 -0.36 -0.29 0.00 0.00 176.35 176.21 1y1l s PHE 4 N 1.16 3.23 -0.05 5.38 0.40 -0.09 -0.97 117.98 127.03 1y1l s PHE 4 Ca -0.02 -0.60 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1y1l s PHE 4 Cb -0.14 -2.66 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 1y1l s PHE 4 CO -0.05 -0.61 -0.24 0.54 0.70 0.00 0.00 175.22 175.56 1y1l s VAL 5 N 1.71 1.97 0.04 -0.44 0.11 -0.96 -1.51 120.40 121.32 1y1l s VAL 5 Ca 0.05 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1y1l s VAL 5 Cb -0.19 -1.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1y1l s VAL 5 CO 0.10 0.55 0.01 0.00 -3.33 0.00 0.00 175.10 172.44 1y1l n ILE 7 N -0.08 0.00 0.40 0.00 5.41 -1.26 -1.76 119.36 122.07 1y1l n ILE 7 Ca -0.00 0.38 0.11 0.00 1.00 0.00 0.00 62.75 64.24 1y1l n ILE 7 Cb 0.06 -0.99 0.47 0.00 -0.71 0.00 0.00 39.64 38.46 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 -0.12 0.70 -3.44 1.39 1.44 -1.26 0.62 115.22 114.55 1y1l n HIS 8 Ca 0.00 0.28 -0.15 0.00 -2.01 0.00 0.00 57.72 55.84 1y1l n HIS 8 Cb 0.00 -0.95 0.01 0.00 0.12 0.00 0.00 29.99 29.17 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 -2.15 -6.27 0.00 4.39 4.05 -1.26 -4.41 115.26 109.62 1y1l n ASN 9 Ca 0.02 -0.59 0.00 0.00 0.45 0.00 0.00 54.58 54.46 1y1l n ASN 9 Cb 0.21 -3.70 0.00 0.00 1.23 0.00 0.00 39.78 37.52 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 -2.63 0.00 0.00 -0.44 -1.04 -1.26 -4.46 114.28 104.45 1y1l n THR 10 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1y1l n THR 10 Cb 0.59 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.02 1.20 -0.24 2.41 0.00 -1.26 -1.39 120.51 120.21 1y1l n ALA 11 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1y1l n ALA 11 Cb 0.14 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.09 -0.53 0.00 3.08 -1.97 0.45 114.38 115.32 1y1l h ARG 12 Ca 0.00 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1y1l h ARG 12 Cb 0.00 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1y1l h ARG 12 CO 0.00 -0.06 -0.03 0.77 -1.07 0.00 0.00 179.97 179.58 1y1l h SER 13 N -0.09 -0.30 -0.35 7.04 0.02 -1.92 -0.70 113.55 117.25 1y1l h SER 13 Ca 0.29 0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 61.26 1y1l h SER 13 Cb 0.56 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1y1l h SER 13 CO -0.75 -0.11 -0.20 0.58 -1.14 0.00 0.00 176.83 175.21 1y1l h VAL 14 N 0.08 1.27 0.72 2.27 2.07 -1.28 -2.86 116.25 118.53 1y1l h VAL 14 Ca 0.27 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1y1l h VAL 14 Cb 0.42 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1y1l h VAL 14 CO -0.48 0.45 -0.35 0.24 0.02 0.00 0.00 177.57 177.46 1y1l h MET 15 N 0.73 -0.93 -0.89 1.57 2.07 0.11 -2.79 114.93 114.80 1y1l h MET 15 Ca 0.10 0.06 0.17 0.00 -2.07 0.00 0.00 59.70 57.97 1y1l h MET 15 Cb 0.72 0.21 -0.10 0.00 -1.87 0.00 0.00 31.60 30.56 1y1l h MET 15 CO 0.06 -0.61 0.47 0.00 1.07 0.00 0.00 176.91 177.90 1y1l h ALA 16 N -0.78 1.41 0.61 6.32 0.00 -1.20 -1.53 119.26 124.09 1y1l h ALA 16 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1y1l h ALA 16 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1y1l h ALA 16 CO 0.16 -0.14 -0.47 1.49 0.00 0.00 0.00 179.25 180.29 1y1l h GLU 17 N 0.60 -1.00 -0.62 0.00 4.81 -1.45 0.30 114.58 117.22 1y1l h GLU 17 Ca 0.51 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.90 1y1l h GLU 17 Cb 0.81 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 1y1l h GLU 17 CO -0.41 -0.67 0.26 0.00 -0.73 0.00 0.00 179.01 177.47 1y1l h ALA 18 N -1.10 0.82 -0.51 2.92 0.00 -1.16 -1.24 119.26 118.97 1y1l h ALA 18 Ca -0.08 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1y1l h ALA 18 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1y1l h ALA 18 CO 0.02 -0.14 -0.04 -0.07 0.00 0.00 0.00 179.25 179.02 1y1l h LEU 19 N 0.47 0.93 0.49 0.00 3.38 -1.25 -2.52 115.31 116.80 1y1l h LEU 19 Ca 0.31 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1y1l h LEU 19 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1y1l h LEU 19 CO -0.28 1.03 -0.41 0.15 0.09 0.00 0.00 178.44 179.03 1y1l h PHE 20 N 0.80 -1.10 -0.82 1.13 3.57 -0.41 -2.58 116.94 117.53 1y1l h PHE 20 Ca 0.14 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.81 1y1l h PHE 20 Cb 0.58 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1y1l h PHE 20 CO 0.04 -0.58 0.54 -0.91 -2.23 0.00 0.00 178.31 175.17 1y1l h ASN 21 N -0.89 0.43 0.78 0.41 -0.26 -1.24 0.41 115.58 115.22 1y1l h ASN 21 Ca -0.05 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1y1l h ASN 21 Cb 0.77 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1y1l h ASN 21 CO -0.01 0.21 0.00 0.00 -1.06 0.00 0.00 177.43 176.56 1y1l n ALA 22 N -2.51 2.15 -0.02 -0.83 0.00 -0.95 -3.93 120.51 114.41 1y1l n ALA 22 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1y1l n ALA 22 Cb 0.57 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.46 3.24 -2.93 0.00 2.81 0.96 -5.03 117.12 114.72 1y1l n MET 23 Ca 0.07 -0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.56 1y1l n MET 23 Cb 0.27 -1.11 -0.06 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.11 3.42 -0.19 3.04 0.00 0.11 -5.00 121.76 121.04 1y1l s ALA 24 Ca -0.02 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1y1l s ALA 24 Cb 0.01 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 1y1l s ALA 24 CO 0.17 0.27 -0.07 1.17 0.00 0.00 0.00 175.76 177.30 1y1l n LYS 25 N 1.55 0.52 -0.04 0.00 0.00 -1.26 -4.73 118.16 114.20 1y1l n LYS 25 Ca -0.05 0.48 -0.22 0.00 0.00 0.00 0.00 58.31 58.52 1y1l n LYS 25 Cb 0.48 -1.66 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 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 -4.48 2.05 -4.79 3.14 3.41 -1.26 -4.95 113.62 106.74 1y1l n SER 26 Ca -0.24 0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 58.26 1y1l n SER 26 Cb 0.53 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 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 2.84 0.47 7.33 0.52 -1.26 -4.94 118.94 121.39 1y1l s TRP 27 Ca -0.26 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.45 1y1l s TRP 27 Cb 0.07 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.20 1y1l s TRP 27 CO 0.70 -1.22 0.02 0.15 0.02 0.00 0.00 176.95 176.63 1y1l s LYS 28 N -3.40 2.10 0.04 4.98 1.02 -1.26 -4.73 119.74 118.49 1y1l s LYS 28 Ca 0.69 -2.30 -0.07 0.00 0.02 0.00 0.00 55.97 54.31 1y1l s LYS 28 Cb -0.20 -1.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1y1l s LYS 28 CO 0.26 -0.31 0.13 0.00 -0.92 0.00 0.00 175.35 174.51 1y1l s ALA 29 N -2.90 -0.15 0.22 5.17 0.00 -1.26 -1.55 121.76 121.28 1y1l s ALA 29 Ca 0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1y1l s ALA 29 Cb 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1y1l s ALA 29 CO 0.08 -0.34 0.24 -1.21 0.00 0.00 0.00 175.76 174.53 1y1l s GLU 30 N -2.66 1.31 0.06 0.00 2.02 -0.85 -4.95 118.70 113.63 1y1l s GLU 30 Ca -0.04 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1y1l s GLU 30 Cb -0.01 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 1y1l s GLU 30 CO -0.05 -0.47 -0.05 -1.54 0.02 0.00 0.00 175.26 173.18 1y1l s SER 31 N -3.12 0.70 0.17 -0.19 1.04 -1.26 -0.92 113.70 110.13 1y1l s SER 31 Ca 0.34 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.71 1y1l s SER 31 Cb 0.05 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1y1l s SER 31 CO 0.11 -0.48 0.48 0.00 0.98 0.00 0.00 173.24 174.34 1y1l s ALA 32 N -3.23 -0.91 0.17 5.32 0.00 -0.57 -4.71 121.76 117.83 1y1l s ALA 32 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.87 1y1l s ALA 32 Cb 0.03 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1y1l s ALA 32 CO -0.06 -0.75 -0.09 0.20 0.00 0.00 0.00 175.76 175.06 1y1l s GLY 33 N -2.85 1.21 0.15 0.00 0.00 -0.68 -2.17 107.32 102.97 1y1l s GLY 33 Ca 0.08 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1y1l s GLY 33 CO -0.06 -1.63 1.35 -2.08 0.00 0.00 0.00 173.10 170.68 1y1l h VAL 34 N 2.69 1.48 -3.84 1.40 2.07 0.10 1.28 116.25 121.43 1y1l h VAL 34 Ca -0.37 -2.62 -0.36 0.00 0.82 0.00 0.00 66.70 64.18 1y1l h VAL 34 Cb 1.20 2.48 -0.20 0.00 -1.52 0.00 0.00 31.29 33.26 1y1l h VAL 34 CO 0.63 0.77 -0.75 -0.70 0.02 0.00 0.00 177.57 177.54 1y1l s GLU 35 N -3.18 0.79 0.60 1.57 2.12 -0.93 -4.80 118.70 114.87 1y1l s GLU 35 Ca -0.03 -1.02 -0.19 0.00 0.36 0.00 0.00 54.97 54.08 1y1l s GLU 35 Cb 0.10 -0.63 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 1y1l s GLU 35 CO 0.84 0.12 1.27 0.36 -0.54 0.00 0.00 175.26 177.31 1y1l n LYS 36 N 0.99 1.29 -3.70 4.30 -0.00 -1.26 -4.41 118.16 115.36 1y1l n LYS 36 Ca -0.19 0.49 -0.13 0.00 -0.00 0.00 0.00 58.31 58.48 1y1l n LYS 36 Cb 0.56 -2.49 -0.09 0.00 -0.00 0.00 0.00 35.03 33.00 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 -1.37 -1.22 -0.12 0.58 0.00 -1.26 -4.98 121.76 113.39 1y1l s ALA 37 Ca 0.78 1.41 -0.28 0.00 0.00 0.00 0.00 51.96 53.86 1y1l s ALA 37 Cb -0.40 -0.82 -0.25 0.00 0.00 0.00 0.00 23.12 21.64 1y1l s ALA 37 CO 0.45 -0.24 0.83 0.93 0.00 0.00 0.00 175.76 177.73 1y1l h GLU 38 N 5.44 0.01 -6.86 0.00 4.39 -1.93 -3.41 114.58 112.21 1y1l h GLU 38 Ca -0.28 -0.02 -0.69 0.00 0.34 0.00 0.00 59.36 58.72 1y1l h GLU 38 Cb 1.18 0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.62 1y1l h GLU 38 CO 0.20 0.95 -0.86 -0.98 -1.16 0.00 0.00 179.01 177.16 1y1l s ARG 39 N -2.46 1.45 0.17 2.33 1.04 -1.26 -4.61 118.95 115.61 1y1l s ARG 39 Ca -0.18 -1.35 -0.26 0.00 -1.04 0.00 0.00 55.73 52.89 1y1l s ARG 39 Cb -0.02 -1.92 -0.08 0.00 -2.04 0.00 0.00 34.95 30.89 1y1l s ARG 39 CO 0.69 0.45 0.81 0.08 -0.04 0.00 0.00 175.30 177.30 1y1l s VAL 40 N -1.13 4.33 0.19 4.99 1.01 -1.26 -4.80 120.40 123.73 1y1l s VAL 40 Ca 0.15 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 63.60 1y1l s VAL 40 Cb -0.10 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 1y1l s VAL 40 CO 0.07 0.50 1.05 -0.67 0.00 0.00 0.00 175.10 176.05 1y1l n ASP 41 N 1.68 0.97 0.10 3.32 -0.08 -0.49 -4.88 116.55 117.18 1y1l n ASP 41 Ca -0.05 1.15 -0.04 0.00 -1.51 0.00 0.00 54.79 54.35 1y1l n ASP 41 Cb 0.48 -1.19 0.04 0.00 2.34 0.00 0.00 41.12 42.79 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 2.78 0.00 -0.55 -0.67 4.39 -1.93 -2.57 114.58 116.04 1y1l h GLU 42 Ca -0.41 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1y1l h GLU 42 Cb 1.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1y1l h GLU 42 CO 0.66 0.79 -0.11 1.15 -1.16 0.00 0.00 179.01 180.34 1y1l h THR 43 N 0.00 1.27 0.28 1.13 2.02 -1.98 -2.43 112.91 113.19 1y1l h THR 43 Ca -0.01 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1y1l h THR 43 Cb 1.41 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1y1l h THR 43 CO 0.10 0.45 -0.13 0.58 0.37 0.00 0.00 175.52 176.89 1y1l h VAL 44 N 0.93 0.76 0.00 3.16 2.07 -1.91 0.49 116.25 121.75 1y1l h VAL 44 Ca 0.14 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1y1l h VAL 44 Cb 0.69 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1y1l h VAL 44 CO 0.05 0.11 -0.03 0.07 0.02 0.00 0.00 177.57 177.80 1y1l h LYS 45 N -0.68 0.00 0.18 1.57 2.10 -1.51 0.34 116.57 118.57 1y1l h LYS 45 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1y1l h LYS 45 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1y1l h LYS 45 CO 0.06 0.03 -0.09 -0.09 -2.00 0.00 0.00 179.45 177.36 1y1l h ARG 46 N 0.00 -0.23 -1.00 0.07 2.43 -1.35 -1.11 114.38 113.19 1y1l h ARG 46 Ca -0.00 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1y1l h ARG 46 Cb 0.05 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 1y1l h ARG 46 CO 0.00 0.18 0.64 -0.07 -1.51 0.00 0.00 179.97 179.21 1y1l h LEU 47 N -0.84 0.95 -0.07 3.80 4.07 -0.11 0.92 115.31 124.03 1y1l h LEU 47 Ca -0.02 0.04 -0.25 0.00 0.08 0.00 0.00 57.88 57.72 1y1l h LEU 47 Cb 0.52 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.12 1y1l h LEU 47 CO 0.04 0.53 -0.99 -0.07 -1.08 0.00 0.00 178.44 176.87 1y1l h LEU 48 N 1.03 0.80 -1.53 1.67 3.38 -0.40 -3.15 115.31 117.11 1y1l h LEU 48 Ca 0.48 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1y1l h LEU 48 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1y1l h LEU 48 CO -0.24 1.43 -0.20 0.00 0.09 0.00 0.00 178.44 179.52 1y1l h ALA 49 N 0.52 1.20 0.00 1.53 0.00 -0.28 1.03 119.26 123.26 1y1l h ALA 49 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y1l h ALA 49 Cb 1.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1y1l h ALA 49 CO 0.19 0.25 0.00 1.49 0.00 0.00 0.00 179.25 181.18 1y1l h GLU 50 N 0.00 0.00 -0.34 0.00 4.81 -0.80 -2.44 114.58 115.81 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 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1y1l h GLU 50 CO 0.03 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.18 1y1l n ARG 51 N -2.67 2.91 -2.48 1.92 0.63 0.11 -4.96 116.66 112.13 1y1l n ARG 51 Ca 0.03 -2.27 -0.09 0.00 -0.92 0.00 0.00 57.85 54.59 1y1l n ARG 51 Cb 0.34 -1.43 0.01 0.00 0.45 0.00 0.00 32.46 31.83 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 0.29 0.12 3.19 5.14 0.00 -0.57 -5.04 105.19 108.33 1y1l n GLY 52 Ca 0.14 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.01 1.99 -0.24 0.99 1.43 0.33 -4.93 118.68 115.24 1y1l s LEU 53 Ca 0.10 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1y1l s LEU 53 Cb -0.04 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1y1l s LEU 53 CO 0.12 0.21 0.15 -0.54 0.23 0.00 0.00 176.35 176.52 1y1l s LYS 54 N -0.22 4.03 1.06 1.70 3.01 -1.26 -1.69 119.74 126.38 1y1l s LYS 54 Ca 0.01 -0.29 -0.16 0.00 -1.01 0.00 0.00 55.97 54.53 1y1l s LYS 54 Cb -0.10 -3.52 0.22 0.00 -1.01 0.00 0.00 37.83 33.42 1y1l s LYS 54 CO 0.01 0.04 1.15 0.00 0.51 0.00 0.00 175.35 177.06 1y1l s ALA 55 N 1.10 1.18 0.50 5.17 0.00 -1.26 -4.92 121.76 123.53 1y1l s ALA 55 Ca 0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 1y1l s ALA 55 Cb -0.14 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1y1l s ALA 55 CO 0.05 -2.97 1.28 0.21 0.00 0.00 0.00 175.76 174.33 1y1l s LYS 56 N -5.36 3.45 0.16 0.00 2.20 -1.26 -4.93 119.74 113.99 1y1l s LYS 56 Ca 0.69 2.06 -0.16 0.00 -0.36 0.00 0.00 55.97 58.20 1y1l s LYS 56 Cb -0.12 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 1y1l s LYS 56 CO 0.55 -0.89 1.81 0.93 -0.36 0.00 0.00 175.35 177.40 1y1l h GLU 57 N 1.79 0.57 -2.66 4.03 3.07 -2.03 -3.45 114.58 115.89 1y1l h GLU 57 Ca -0.50 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.21 1y1l h GLU 57 Cb 1.28 -0.13 -0.24 0.00 -0.84 0.00 0.00 28.75 28.82 1y1l h GLU 57 CO 0.59 0.38 -0.19 -1.59 -1.40 0.00 0.00 179.01 176.80 1y1l s LYS 58 N -6.13 0.52 0.20 2.33 -2.85 -1.26 -4.68 119.74 107.87 1y1l s LYS 58 Ca -0.13 0.61 -0.33 0.00 -1.00 0.00 0.00 55.97 55.12 1y1l s LYS 58 Cb 0.11 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 36.00 1y1l s LYS 58 CO 0.73 -0.06 1.54 -2.30 0.10 0.00 0.00 175.35 175.35 1y1l n PRO 59 N 2.82 2.21 -4.02 1.78 -0.02 -1.26 -4.99 135.00 131.52 1y1l n PRO 59 Ca -0.13 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 1y1l n PRO 59 Cb 0.57 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.38 3.09 0.62 -0.52 1.70 -1.26 -4.84 118.95 118.11 1y1l s ARG 60 Ca 0.74 -0.79 -0.18 0.00 -0.47 0.00 0.00 55.73 55.02 1y1l s ARG 60 Cb -0.64 -2.79 -0.02 0.00 -0.57 0.00 0.00 34.95 30.92 1y1l s ARG 60 CO 0.42 -0.24 1.25 0.99 -1.08 0.00 0.00 175.30 176.64 1y1l s THR 61 N 1.36 2.33 -0.80 4.99 2.01 -1.26 -1.68 115.64 122.58 1y1l s THR 61 Ca 0.04 0.20 0.14 0.00 0.31 0.00 0.00 61.69 62.38 1y1l s THR 61 Cb -0.14 -3.08 0.13 0.00 0.01 0.00 0.00 72.50 69.41 1y1l s THR 61 CO -0.08 -0.04 1.43 0.55 -0.69 0.00 0.00 174.62 175.78 1y1l n VAL 62 N -1.73 1.21 0.04 3.82 3.14 0.44 -2.20 118.33 123.06 1y1l n VAL 62 Ca 0.15 0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 61.76 1y1l n VAL 62 Cb 0.49 -1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 32.00 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 0.61 0.00 6.55 -0.00 -1.90 -2.91 116.42 118.78 1y1l h ASP 63 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 1y1l h ASP 63 Cb 0.19 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1y1l h ASP 63 CO 0.00 1.22 0.00 -0.62 -0.00 0.00 0.00 179.24 179.84 1y1l n GLU 64 N -3.82 0.93 -4.09 0.28 1.02 -0.93 -4.77 120.64 109.25 1y1l n GLU 64 Ca -0.06 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.87 1y1l n GLU 64 Cb 0.77 -1.12 -0.17 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.73 0.51 -0.75 2.62 1.01 -1.10 -5.03 120.40 115.92 1y1l s VAL 65 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1y1l s VAL 65 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.89 1y1l s VAL 65 CO 0.00 0.23 1.11 0.20 0.00 0.00 0.00 175.10 176.64 1y1l s ASN 66 N 1.08 6.26 0.30 3.32 -0.87 -1.26 -4.92 114.94 118.85 1y1l s ASN 66 Ca -0.08 -1.04 0.04 0.00 -1.57 0.00 0.00 52.86 50.20 1y1l s ASN 66 Cb -0.14 -2.47 0.79 0.00 -0.02 0.00 0.00 41.25 39.41 1y1l s ASN 66 CO -0.01 -1.50 1.62 -0.07 -2.57 0.00 0.00 177.10 174.57 1y1l h LEU 67 N 11.79 -0.12 -1.47 0.60 3.38 -1.96 -2.29 115.31 125.24 1y1l h LEU 67 Ca -0.18 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y1l h LEU 67 Cb 1.05 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1y1l h LEU 67 CO 1.22 -0.25 0.41 0.44 0.09 0.00 0.00 178.44 180.35 1y1l h ASP 68 N 0.12 0.00 -0.12 -0.43 3.45 -1.95 -0.45 116.42 117.05 1y1l h ASP 68 Ca 0.60 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 58.03 1y1l h ASP 68 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1y1l h ASP 68 CO -0.75 0.00 0.00 0.44 -1.57 0.00 0.00 179.24 177.36 1y1l h ASP 69 N 0.00 0.28 -3.94 6.45 3.32 -1.83 -3.44 116.42 117.25 1y1l h ASP 69 Ca 0.00 -0.04 -0.48 0.00 0.02 0.00 0.00 57.03 56.53 1y1l h ASP 69 Cb 0.82 -0.07 0.06 0.00 0.22 0.00 0.00 39.33 40.37 1y1l h ASP 69 CO 0.00 0.33 0.26 -0.36 -1.72 0.00 0.00 179.24 177.75 1y1l s PHE 70 N -4.99 3.27 0.00 4.55 0.40 -0.18 -4.82 117.98 116.21 1y1l s PHE 70 Ca -0.06 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1y1l s PHE 70 Cb 0.16 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1y1l s PHE 70 CO 0.73 -0.96 0.57 -0.25 0.70 0.00 0.00 175.22 176.01 1y1l n ASP 71 N -2.74 1.14 -3.15 1.36 9.92 -0.73 -4.94 116.55 117.41 1y1l n ASP 71 Ca 0.05 -1.18 0.05 0.00 -0.53 0.00 0.00 54.79 53.19 1y1l n ASP 71 Cb 0.57 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 -0.18 -0.72 -0.41 0.64 1.98 -1.25 -4.70 118.68 114.04 1y1l s LEU 72 Ca 0.00 0.35 -0.11 0.00 -2.89 0.00 0.00 54.13 51.48 1y1l s LEU 72 Cb 0.00 1.56 0.06 0.00 0.66 0.00 0.00 46.19 48.47 1y1l s LEU 72 CO 0.00 -0.13 0.26 -0.51 -1.89 0.00 0.00 176.35 174.08 1y1l s ILE 73 N 2.93 4.55 -0.06 6.68 -1.16 -0.46 -1.78 121.20 131.89 1y1l s ILE 73 Ca 0.09 -1.13 -0.25 0.00 -0.51 0.00 0.00 60.65 58.84 1y1l s ILE 73 Cb -0.10 -3.68 -0.03 0.00 0.61 0.00 0.00 42.46 39.26 1y1l s ILE 73 CO -0.16 -0.42 0.78 0.54 -2.81 0.00 0.00 174.94 172.87 1y1l s VAL 74 N 1.51 4.99 -0.25 4.00 0.11 -0.15 -2.35 120.40 128.27 1y1l s VAL 74 Ca 0.03 1.61 -0.07 0.00 -2.93 0.00 0.00 61.98 60.61 1y1l s VAL 74 Cb -0.22 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1y1l s VAL 74 CO 0.05 0.21 0.06 -0.89 -3.33 0.00 0.00 175.10 171.20 1y1l s THR 75 N 0.97 4.19 -0.80 5.04 2.01 -0.15 -2.26 115.64 124.64 1y1l s THR 75 Ca 0.41 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 1y1l s THR 75 Cb -0.18 -2.99 0.07 0.00 0.01 0.00 0.00 72.50 69.41 1y1l s THR 75 CO 0.20 0.31 1.15 -0.69 -0.69 0.00 0.00 174.62 174.90 1y1l s VAL 76 N 1.59 4.23 0.62 3.82 1.01 -0.40 -0.27 120.40 131.00 1y1l s VAL 76 Ca 0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1y1l s VAL 76 Cb -0.15 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.41 1y1l s VAL 76 CO 0.03 -1.63 0.96 0.00 0.00 0.00 0.00 175.10 174.46 1y1l n GLU 78 N -2.70 0.34 0.17 0.00 -0.58 -1.26 -2.36 120.64 114.25 1y1l n GLU 78 Ca 0.05 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.85 1y1l n GLU 78 Cb 0.57 0.00 0.56 0.00 -0.57 0.00 0.00 31.44 32.00 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 0.19 0.00 3.49 4.81 -1.96 -3.36 114.58 117.75 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 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.19 1y1l h GLU 79 CO 0.00 0.13 -0.34 -1.13 -0.73 0.00 0.00 179.01 176.94 1y1l n SER 80 N -4.51 -1.94 -2.72 1.04 3.41 -1.26 -5.04 113.62 102.60 1y1l n SER 80 Ca -0.01 -2.62 -0.07 0.00 -0.26 0.00 0.00 58.87 55.92 1y1l n SER 80 Cb 0.09 1.16 0.06 0.00 -0.26 0.00 0.00 64.21 65.25 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 -0.44 -2.39 -4.64 4.04 3.41 -1.26 -5.11 113.62 107.23 1y1l n SER 81 Ca -0.03 -2.80 -0.43 0.00 -0.26 0.00 0.00 58.87 55.35 1y1l n SER 81 Cb 0.82 1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 66.22 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 3.80 3.43 -0.03 0.00 0.11 -1.26 -5.05 120.40 121.41 1y1l s VAL 83 Ca 0.50 1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 60.97 1y1l s VAL 83 Cb -0.15 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1y1l s VAL 83 CO 0.17 0.34 0.10 0.54 -3.33 0.00 0.00 175.10 172.91 1y1l s VAL 84 N -1.17 4.89 0.21 2.04 0.11 -1.26 -5.02 120.40 120.20 1y1l s VAL 84 Ca 0.45 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1y1l s VAL 84 Cb -0.32 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 1y1l s VAL 84 CO 0.42 0.40 0.03 -0.76 -3.33 0.00 0.00 175.10 171.86 1y1l s LEU 85 N -1.61 3.36 -0.92 2.54 1.02 -1.26 -5.03 118.68 116.77 1y1l s LEU 85 Ca 0.22 -0.44 -0.15 0.00 0.02 0.00 0.00 54.13 53.77 1y1l s LEU 85 Cb -0.12 -1.96 -0.10 0.00 0.02 0.00 0.00 46.19 44.03 1y1l s LEU 85 CO 0.12 0.05 2.06 -0.81 0.02 0.00 0.00 176.35 177.79 1y1l n PRO 86 N -0.50 1.92 -3.67 1.29 -0.04 -1.26 -4.84 135.00 127.90 1y1l n PRO 86 Ca -0.08 -1.81 -0.08 0.00 -0.04 0.00 0.00 63.50 61.49 1y1l n PRO 86 Cb 0.57 -2.80 -0.09 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.18 -0.14 -2.00 0.52 -1.32 -1.26 -4.98 115.64 110.64 1y1l s THR 87 Ca 0.51 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 61.07 1y1l s THR 87 Cb 0.13 -0.78 0.06 0.00 -1.51 0.00 0.00 72.50 70.41 1y1l s THR 87 CO 0.04 0.03 0.99 0.47 -2.21 0.00 0.00 174.62 173.94 1y1l n ASP 88 N 4.48 0.00 -4.30 8.08 9.92 -1.26 -4.85 116.55 128.61 1y1l n ASP 88 Ca -0.20 -1.73 -0.29 0.00 -0.53 0.00 0.00 54.79 52.04 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 -5.02 119.74 110.37 1y1l s LYS 89 Ca 0.03 -0.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.34 1y1l s LYS 89 Cb 0.02 -1.77 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 1y1l s LYS 89 CO 0.03 -2.72 0.92 -1.25 -0.76 0.00 0.00 175.35 171.56 1y1l s PRO 90 N -5.49 4.57 -0.11 -1.68 0.04 -1.26 -5.01 135.00 126.05 1y1l s PRO 90 Ca 0.69 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1y1l s PRO 90 Cb -0.10 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.04 1y1l s PRO 90 CO 0.54 0.06 0.29 0.54 0.04 0.00 0.00 177.00 178.46 1y1l s VAL 91 N 0.65 -0.01 0.57 -0.36 0.11 -1.26 -1.36 120.40 118.75 1y1l s VAL 91 Ca 0.48 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.63 1y1l s VAL 91 Cb -0.21 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.29 1y1l s VAL 91 CO 0.27 0.02 0.52 -0.89 -3.33 0.00 0.00 175.10 171.69 1y1l s THR 92 N 0.52 1.63 -0.03 5.04 2.01 -0.99 -4.96 115.64 118.86 1y1l s THR 92 Ca -0.03 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 1y1l s THR 92 Cb -0.05 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.49 1y1l s THR 92 CO -0.03 0.00 0.04 -0.13 -0.69 0.00 0.00 174.62 173.81 1y1l s ARG 93 N -4.42 -0.00 -0.24 4.92 0.52 -1.26 -0.97 118.95 117.50 1y1l s ARG 93 Ca 0.40 0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.87 1y1l s ARG 93 Cb -0.03 -0.45 0.02 0.00 0.52 0.00 0.00 34.95 35.01 1y1l s ARG 93 CO 0.25 -0.26 -0.07 -1.58 0.02 0.00 0.00 175.30 173.66 1y1l s TRP 94 N 1.71 3.03 -0.65 -0.53 0.52 0.63 -4.91 118.94 118.74 1y1l s TRP 94 Ca -0.01 -1.52 -0.25 0.00 0.02 0.00 0.00 56.10 54.34 1y1l s TRP 94 Cb -0.12 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1y1l s TRP 94 CO -0.03 -0.72 1.10 -1.01 0.02 0.00 0.00 176.95 176.31 1y1l s HIS 95 N 1.33 2.55 -0.10 -1.98 3.76 -1.26 -0.50 115.29 119.09 1y1l s HIS 95 Ca 0.01 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1y1l s HIS 95 Cb -0.16 -4.39 0.01 0.00 1.11 0.00 0.00 32.58 29.14 1y1l s HIS 95 CO -0.05 -1.73 -0.20 0.42 -0.85 0.00 0.00 174.74 172.33 1y1l s ILE 96 N 4.74 1.79 0.16 0.60 1.01 -1.00 -5.00 121.20 123.50 1y1l s ILE 96 Ca 0.31 -0.85 -0.34 0.00 0.00 0.00 0.00 60.65 59.77 1y1l s ILE 96 Cb -0.12 -1.57 -0.15 0.00 0.01 0.00 0.00 42.46 40.63 1y1l s ILE 96 CO 0.16 0.50 1.33 1.21 0.00 0.00 0.00 174.94 178.14 1y1l n GLU 97 N 3.76 1.48 -2.52 2.79 2.13 -1.26 -4.74 120.64 122.27 1y1l n GLU 97 Ca -0.20 0.53 -0.43 0.00 0.66 0.00 0.00 57.16 57.72 1y1l n GLU 97 Cb 0.52 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 30.07 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 0.35 6.50 0.48 4.31 3.84 -1.26 -4.89 114.94 124.27 1y1l s ASN 98 Ca 0.77 0.50 0.27 0.00 0.21 0.00 0.00 52.86 54.61 1y1l s ASN 98 Cb -0.82 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 38.39 1y1l s ASN 98 CO 0.48 -1.36 1.88 1.55 -2.79 0.00 0.00 177.10 176.85 1y1l h PRO 99 N 9.79 0.00 -5.73 0.43 0.13 -1.90 -3.45 132.00 131.26 1y1l h PRO 99 Ca -0.25 0.00 -0.83 0.00 -0.87 0.00 0.00 66.00 64.06 1y1l h PRO 99 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1y1l h PRO 99 CO 1.13 0.13 0.73 0.00 -0.23 0.00 0.00 178.00 179.76 1y1l n ALA 100 N -2.17 -1.11 0.00 -0.56 0.00 -1.26 -1.55 120.51 113.85 1y1l n ALA 100 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1y1l n ALA 100 Cb 0.39 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 4.23 2.08 0.51 0.00 0.00 -1.26 -4.73 105.19 106.03 1y1l n GLY 101 Ca 0.32 -0.31 0.34 0.00 0.00 0.00 0.00 46.02 46.37 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 0.08 0.00 1.61 1.79 -1.60 -3.44 116.57 115.01 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 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1y1l h LYS 102 CO 0.00 0.05 0.00 -3.47 -1.08 0.00 0.00 179.45 174.95 1y1l n ASP 103 N -4.29 0.00 0.00 0.86 -0.08 -1.15 -4.80 116.55 107.09 1y1l n ASP 103 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1y1l n ASP 103 Cb 1.23 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.69 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 0.05 -0.67 0.28 -1.26 -2.53 120.64 130.51 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 0.19 0.00 1.43 0.00 0.00 31.44 33.06 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 -1.39 0.42 -1.84 0.00 -1.26 -4.11 105.19 97.02 1y1l n GLY 105 Ca 0.00 -0.26 0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 0.60 -0.36 2.61 2.02 -1.81 0.10 112.91 116.08 1y1l h THR 106 Ca 0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1y1l h THR 106 Cb 0.70 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1y1l h THR 106 CO 0.00 0.05 0.15 1.88 0.37 0.00 0.00 175.52 177.97 1y1l h TYR 107 N 0.29 0.54 -0.61 3.16 -1.99 -1.68 -0.46 116.97 116.22 1y1l h TYR 107 Ca 0.49 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 61.17 1y1l h TYR 107 Cb 1.42 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.96 1y1l h TYR 107 CO -0.00 0.50 0.34 0.00 -0.00 0.00 0.00 178.16 178.99 1y1l h ARG 108 N 0.43 0.85 -0.47 4.88 3.08 -1.08 0.16 114.38 122.23 1y1l h ARG 108 Ca 0.12 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1y1l h ARG 108 Cb 0.18 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1y1l h ARG 108 CO -0.01 0.64 0.24 -0.09 -1.07 0.00 0.00 179.97 179.68 1y1l h ARG 109 N 0.83 0.46 -0.53 0.04 1.12 -1.10 0.97 114.38 116.16 1y1l h ARG 109 Ca 0.21 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1y1l h ARG 109 Cb 0.04 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 1y1l h ARG 109 CO -0.03 0.30 0.16 0.28 -3.11 0.00 0.00 179.97 177.57 1y1l h VAL 110 N 0.47 1.21 -0.40 0.20 2.07 -0.64 -2.29 116.25 116.87 1y1l h VAL 110 Ca 0.20 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1y1l h VAL 110 Cb 0.11 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1y1l h VAL 110 CO -0.14 0.28 0.16 0.25 0.02 0.00 0.00 177.57 178.13 1y1l h LEU 111 N 0.78 0.55 -0.03 2.57 5.85 0.59 -2.56 115.31 123.06 1y1l h LEU 111 Ca 0.18 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y1l h LEU 111 Cb 0.24 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1y1l h LEU 111 CO -0.01 0.57 0.02 0.00 -0.34 0.00 0.00 178.44 178.68 1y1l h ALA 112 N 1.00 0.04 -0.45 1.25 0.00 -0.46 -1.26 119.26 119.38 1y1l h ALA 112 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1y1l h ALA 112 Cb 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1y1l h ALA 112 CO -0.01 -0.47 0.19 0.93 0.00 0.00 0.00 179.25 179.89 1y1l h GLU 113 N 0.04 0.37 -0.81 0.00 5.08 -1.39 0.22 114.58 118.09 1y1l h GLU 113 Ca 0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1y1l h GLU 113 Cb 0.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1y1l h GLU 113 CO -0.01 0.25 0.53 0.82 -1.00 0.00 0.00 179.01 179.60 1y1l h ILE 114 N 0.38 1.12 -0.28 3.13 2.04 -1.31 -0.49 117.51 122.09 1y1l h ILE 114 Ca 0.20 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1y1l h ILE 114 Cb 0.16 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1y1l h ILE 114 CO -0.18 0.18 -0.08 -0.08 0.00 0.00 0.00 178.15 177.99 1y1l h GLU 115 N 0.98 0.56 -0.80 2.37 4.81 0.09 0.44 114.58 123.02 1y1l h GLU 115 Ca 0.32 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1y1l h GLU 115 Cb 0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1y1l h GLU 115 CO -0.10 0.77 0.43 1.49 -0.73 0.00 0.00 179.01 180.88 1y1l h GLU 116 N 0.31 1.12 0.04 1.92 4.81 -0.22 -0.40 114.58 122.16 1y1l h GLU 116 Ca 0.07 -0.13 -0.26 0.00 -0.13 0.00 0.00 59.36 58.91 1y1l h GLU 116 Cb 0.57 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1y1l h GLU 116 CO 0.03 0.82 -1.08 0.00 -0.73 0.00 0.00 179.01 178.06 1y1l h ARG 117 N 1.12 0.54 -0.25 1.92 3.08 -0.87 -2.67 114.38 117.26 1y1l h ARG 117 Ca 0.28 -0.64 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 1y1l h ARG 117 Cb 0.03 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1y1l h ARG 117 CO -0.04 1.25 -0.09 0.28 -1.07 0.00 0.00 179.97 180.30 1y1l h VAL 118 N 0.28 1.29 -0.15 2.04 2.07 0.03 0.19 116.25 122.01 1y1l h VAL 118 Ca -0.13 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.31 1y1l h VAL 118 Cb 1.73 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.96 1y1l h VAL 118 CO 0.20 0.35 -0.23 0.50 0.02 0.00 0.00 177.57 178.41 1y1l h LYS 119 N 0.24 -0.27 -0.00 1.57 3.64 -1.15 0.35 116.57 120.94 1y1l h LYS 119 Ca 0.06 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1y1l h LYS 119 Cb 0.58 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1y1l h LYS 119 CO 0.03 -0.18 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.79 1y1l h LYS 120 N -0.28 -0.04 -0.53 1.90 3.64 -1.44 -2.88 116.57 116.93 1y1l h LYS 120 Ca 0.11 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1y1l h LYS 120 Cb 0.44 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1y1l h LYS 120 CO -0.31 -0.03 0.35 1.25 -2.27 0.00 0.00 179.45 178.45 1y1l h LEU 121 N -0.04 0.49 -0.06 5.20 5.85 -0.23 -1.39 115.31 125.13 1y1l h LEU 121 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y1l h LEU 121 Cb 0.05 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1y1l h LEU 121 CO -0.03 0.34 0.00 0.52 -0.34 0.00 0.00 178.44 178.93 1y1l n VAL 122 N -4.47 0.00 0.21 1.05 0.31 0.12 -2.60 118.33 112.94 1y1l n VAL 122 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 1y1l n VAL 122 Cb 0.17 -0.24 0.44 0.00 -0.91 0.00 0.00 33.84 33.30 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 3.07 0.00 0.00 2.92 0.00 -1.35 -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