#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yro s GLU 2 N 0.00 3.19 0.68 -2.82 2.02 -1.26 -1.35 118.70 119.16 1yro s GLU 2 Ca 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1yro s GLU 2 Cb 0.00 -4.09 0.01 0.00 0.10 0.00 0.00 34.13 30.15 1yro s GLU 2 CO 0.00 -1.32 1.06 -0.51 0.02 0.00 0.00 175.26 174.51 1yro s LEU 3 N 3.08 2.97 0.40 1.80 1.43 -0.36 -4.98 118.68 123.02 1yro s LEU 3 Ca 0.20 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1yro s LEU 3 Cb -0.17 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 1yro s LEU 3 CO 0.14 -1.27 0.61 0.42 0.23 0.00 0.00 176.35 176.48 1yro s THR 4 N -3.29 4.55 0.21 5.49 -4.23 -1.26 -4.80 115.64 112.31 1yro s THR 4 Ca 0.57 -0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.50 1yro s THR 4 Cb -0.11 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.21 1yro s THR 4 CO 0.51 -0.45 1.73 0.50 -0.54 0.00 0.00 174.62 176.36 1yro h LYS 5 N 0.58 0.32 -0.44 3.99 3.64 -1.98 0.42 116.57 123.10 1yro h LYS 5 Ca -0.48 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1yro h LYS 5 Cb 1.24 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1yro h LYS 5 CO 0.59 0.21 0.12 0.00 -2.27 0.00 0.00 179.45 178.11 1yro h LYS 7 N 0.58 0.05 0.06 0.00 1.57 -1.78 0.29 116.57 117.35 1yro h LYS 7 Ca 0.14 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yro h LYS 7 Cb 0.30 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1yro h LYS 7 CO -0.00 0.04 -0.04 0.28 -0.57 0.00 0.00 179.45 179.16 1yro h VAL 8 N 0.06 0.91 -0.95 0.50 2.07 -0.78 0.37 116.25 118.43 1yro h VAL 8 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1yro h VAL 8 Cb 0.08 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 1yro h VAL 8 CO -0.11 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.32 1yro h SER 9 N -0.10 0.77 -0.24 0.57 0.02 -0.63 -0.54 113.55 113.39 1yro h SER 9 Ca -0.00 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1yro h SER 9 Cb 0.09 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1yro h SER 9 CO 0.00 0.37 -0.27 -0.74 -1.14 0.00 0.00 176.83 175.05 1yro h HIS 10 N 0.83 0.74 -0.45 3.45 6.17 -0.56 -3.16 115.15 122.17 1yro h HIS 10 Ca 0.50 -0.23 -0.04 0.00 0.71 0.00 0.00 60.37 61.31 1yro h HIS 10 Cb 0.61 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.36 1yro h HIS 10 CO -0.03 0.95 0.11 0.00 0.71 0.00 0.00 177.93 179.67 1yro h ALA 11 N 0.67 1.36 -0.60 5.26 0.00 0.44 -3.05 119.26 123.34 1yro h ALA 11 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yro h ALA 11 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1yro h ALA 11 CO 0.07 0.46 0.00 0.44 0.00 0.00 0.00 179.25 180.22 1yro n ILE 12 N -4.31 1.53 -0.32 0.00 -5.35 -0.35 -4.63 119.36 105.93 1yro n ILE 12 Ca 0.03 -1.03 0.23 0.00 -0.27 0.00 0.00 62.75 61.71 1yro n ILE 12 Cb 0.20 0.14 0.44 0.00 -1.74 0.00 0.00 39.64 38.68 1yro n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1yro h LYS 13 N 3.74 0.14 0.00 6.28 1.57 -1.49 0.16 116.57 126.97 1yro h LYS 13 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yro h LYS 13 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1yro h LYS 13 CO 0.18 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 178.91 1yro n ASP 14 N -5.22 0.57 0.03 0.86 8.00 -1.26 -1.96 116.55 117.57 1yro n ASP 14 Ca 0.30 0.70 0.12 0.00 0.71 0.00 0.00 54.79 56.62 1yro n ASP 14 Cb 0.98 -0.80 0.18 0.00 -0.02 0.00 0.00 41.12 41.46 1yro n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yro n ILE 15 N -2.19 0.20 -1.65 0.53 3.06 0.56 -4.90 119.36 114.96 1yro n ILE 15 Ca 0.00 -0.17 -0.51 0.00 -2.50 0.00 0.00 62.75 59.58 1yro n ILE 15 Cb 0.13 0.05 -0.05 0.00 0.54 0.00 0.00 39.64 40.31 1yro n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1yro n ASP 16 N -1.86 2.56 0.00 9.51 2.03 -0.83 -1.88 116.55 126.08 1yro n ASP 16 Ca 0.04 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1yro n ASP 16 Cb 0.40 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1yro n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yro n GLY 17 N 3.48 2.58 3.72 0.27 0.00 0.25 -5.01 105.19 110.48 1yro n GLY 17 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1yro n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yro s TYR 18 N -2.17 3.10 -1.46 1.61 1.51 -0.79 -1.15 117.35 118.00 1yro s TYR 18 Ca 0.00 0.77 0.00 0.00 -1.01 0.00 0.00 57.07 56.83 1yro s TYR 18 Cb 0.00 -3.85 0.00 0.00 -0.11 0.00 0.00 41.96 38.00 1yro s TYR 18 CO 0.00 -3.06 0.00 0.94 -1.11 0.00 0.00 175.55 172.32 1yro n GLN 19 N 3.70 -1.29 -1.00 -0.62 -0.06 -1.26 -2.07 117.38 114.77 1yro n GLN 19 Ca 0.12 0.97 -0.00 0.00 -2.00 0.00 0.00 57.00 56.09 1yro n GLN 19 Cb 0.40 -5.20 -0.00 0.00 -4.06 0.00 0.00 30.24 21.38 1yro n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1yro n GLY 20 N -0.62 0.45 3.70 1.69 0.00 -0.30 -4.99 105.19 105.12 1yro n GLY 20 Ca -0.14 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1yro n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yro s ILE 21 N -1.90 5.25 0.62 -0.61 -1.09 -0.88 -4.90 121.20 117.68 1yro s ILE 21 Ca 0.00 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.05 1yro s ILE 21 Cb 0.00 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1yro s ILE 21 CO 0.00 0.31 0.88 -0.94 -1.23 0.00 0.00 174.94 173.96 1yro s SER 22 N 0.80 4.98 0.40 3.58 1.04 -1.26 -0.58 113.70 122.65 1yro s SER 22 Ca 0.18 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.76 1yro s SER 22 Cb -0.14 -0.78 0.82 0.00 0.10 0.00 0.00 66.02 66.02 1yro s SER 22 CO 0.06 -1.39 1.93 -0.07 0.98 0.00 0.00 173.24 174.75 1yro h LEU 23 N -0.21 0.18 -0.28 2.42 3.38 -1.95 -0.50 115.31 118.36 1yro h LEU 23 Ca -0.42 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1yro h LEU 23 Cb 1.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1yro h LEU 23 CO 0.52 0.34 0.07 -0.07 0.09 0.00 0.00 178.44 179.39 1yro h LEU 24 N 0.19 0.42 -0.72 1.67 3.38 -1.90 0.90 115.31 119.25 1yro h LEU 24 Ca 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1yro h LEU 24 Cb 0.36 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1yro h LEU 24 CO 0.02 0.54 0.39 -0.33 0.09 0.00 0.00 178.44 179.15 1yro h GLU 25 N 0.28 1.00 -0.65 1.13 5.08 -1.77 -2.41 114.58 117.23 1yro h GLU 25 Ca 0.09 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1yro h GLU 25 Cb 0.28 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1yro h GLU 25 CO 0.00 0.75 0.11 -1.49 -1.00 0.00 0.00 179.01 177.38 1yro h TRP 26 N 0.99 1.14 -0.76 4.33 4.06 -0.77 0.74 115.95 125.67 1yro h TRP 26 Ca 0.25 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 61.09 1yro h TRP 26 Cb 0.04 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 27.85 1yro h TRP 26 CO -0.00 0.96 0.50 0.00 -3.56 0.00 0.00 178.44 176.34 1yro h ALA 27 N 1.04 1.58 0.01 1.49 0.00 -0.62 0.20 119.26 122.96 1yro h ALA 27 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yro h ALA 27 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yro h ALA 27 CO 0.01 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 1yro h VAL 29 N -0.60 0.88 -0.18 0.00 2.07 -0.51 -2.43 116.25 115.47 1yro h VAL 29 Ca -0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1yro h VAL 29 Cb 0.58 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1yro h VAL 29 CO 0.00 0.01 -0.09 -0.07 0.02 0.00 0.00 177.57 177.44 1yro h LEU 30 N 0.06 0.26 -0.31 2.57 3.38 -0.65 0.24 115.31 120.86 1yro h LEU 30 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1yro h LEU 30 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1yro h LEU 30 CO -0.13 0.39 0.07 0.15 0.09 0.00 0.00 178.44 179.01 1yro h PHE 31 N 0.27 0.53 0.00 1.13 3.57 -0.96 -1.08 116.94 120.40 1yro h PHE 31 Ca 0.06 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1yro h PHE 31 Cb 0.34 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1yro h PHE 31 CO 0.01 0.56 -0.45 0.45 -2.23 0.00 0.00 178.31 176.64 1yro h HIS 32 N 0.34 0.00 0.03 0.41 3.86 -0.95 -0.53 115.15 118.32 1yro h HIS 32 Ca 0.10 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1yro h HIS 32 Cb 0.30 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.78 1yro h HIS 32 CO 0.02 0.45 -0.33 1.15 0.86 0.00 0.00 177.93 180.07 1yro h THR 33 N 0.00 1.59 0.00 2.45 2.02 -0.36 -3.43 112.91 115.19 1yro h THR 33 Ca -0.00 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1yro h THR 33 Cb 1.00 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1yro h THR 33 CO 0.06 0.59 0.00 -1.54 0.37 0.00 0.00 175.52 175.00 1yro n SER 34 N -4.43 0.24 -1.14 4.18 3.41 -0.43 -4.90 113.62 110.55 1yro n SER 34 Ca -0.11 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.40 1yro n SER 34 Cb 0.57 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1yro n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yro n GLY 35 N 0.01 1.40 2.46 5.00 0.00 -0.21 -1.32 105.19 112.53 1yro n GLY 35 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1yro n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yro n TYR 36 N -2.66 0.00 -2.81 1.61 4.01 -1.23 -4.72 117.16 111.36 1yro n TYR 36 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.17 1yro n TYR 36 Cb 0.48 -2.39 -0.04 0.00 -0.31 0.00 0.00 39.34 37.09 1yro n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1yro s ASP 37 N -2.72 6.27 0.01 7.72 -1.08 -0.44 -1.23 116.67 125.21 1yro s ASP 37 Ca 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 52.55 51.51 1yro s ASP 37 Cb 0.00 -2.45 0.14 0.00 -1.46 0.00 0.00 42.92 39.16 1yro s ASP 37 CO 0.00 -1.36 1.10 0.35 0.52 0.00 0.00 175.17 175.78 1yro n THR 38 N 6.14 1.80 -0.72 1.71 -2.24 -0.46 -1.73 114.28 118.78 1yro n THR 38 Ca 0.00 0.46 0.08 0.00 -2.27 0.00 0.00 64.05 62.32 1yro n THR 38 Cb 0.47 -1.42 0.24 0.00 -2.10 0.00 0.00 70.33 67.52 1yro n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yro n GLN 39 N -1.53 3.05 -1.78 -0.78 6.02 -1.26 -4.12 117.38 116.99 1yro n GLN 39 Ca 0.01 -2.62 -0.42 0.00 -0.01 0.00 0.00 57.00 53.96 1yro n GLN 39 Cb 0.03 -1.69 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 1yro n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yro s ALA 40 N -2.21 3.82 -0.16 -1.58 0.00 -0.71 -4.75 121.76 116.17 1yro s ALA 40 Ca 0.38 1.56 -0.01 0.00 0.00 0.00 0.00 51.96 53.88 1yro s ALA 40 Cb 0.28 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1yro s ALA 40 CO 0.12 -0.94 -0.01 0.08 0.00 0.00 0.00 175.76 175.01 1yro s VAL 41 N 0.50 0.78 -0.06 0.00 1.01 -1.26 -0.52 120.40 120.85 1yro s VAL 41 Ca 0.68 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1yro s VAL 41 Cb -0.48 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1yro s VAL 41 CO 0.41 0.04 -0.10 -0.69 0.00 0.00 0.00 175.10 174.76 1yro s VAL 42 N 1.77 1.00 0.41 2.92 1.01 -0.44 -4.96 120.40 122.11 1yro s VAL 42 Ca 0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1yro s VAL 42 Cb -0.15 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 1yro s VAL 42 CO -0.07 0.32 0.97 0.20 0.00 0.00 0.00 175.10 176.52 1yro s ASN 43 N 0.71 6.92 -0.44 3.32 0.01 -1.26 -0.06 114.94 124.14 1yro s ASN 43 Ca -0.14 1.78 0.06 0.00 -0.71 0.00 0.00 52.86 53.85 1yro s ASN 43 Cb -0.15 -2.55 0.20 0.00 0.41 0.00 0.00 41.25 39.15 1yro s ASN 43 CO 0.03 -0.37 0.52 -0.67 -1.51 0.00 0.00 177.10 175.10 1yro n ASP 44 N -0.41 -1.29 -3.10 -1.22 -0.08 0.80 -4.90 116.55 106.36 1yro n ASP 44 Ca 0.06 -2.65 -0.19 0.00 -1.51 0.00 0.00 54.79 50.51 1yro n ASP 44 Cb 0.53 0.20 0.02 0.00 2.34 0.00 0.00 41.12 44.20 1yro n ASP 44 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1yro n ASN 45 N 2.47 -6.99 0.00 1.67 3.02 -1.26 -3.28 115.26 110.89 1yro n ASN 45 Ca 0.23 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 1yro n ASN 45 Cb 0.52 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1yro n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yro n GLY 46 N -0.09 2.99 3.55 7.41 0.00 -1.26 -4.98 105.19 112.81 1yro n GLY 46 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1yro n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yro s SER 47 N -1.52 3.05 -0.01 1.61 1.04 -1.21 -5.02 113.70 111.65 1yro s SER 47 Ca 0.00 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 54.96 1yro s SER 47 Cb 0.00 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1yro s SER 47 CO 0.00 -0.71 -0.10 -0.89 0.98 0.00 0.00 173.24 172.52 1yro s THR 48 N -3.10 0.78 -0.06 2.02 2.01 -1.26 -0.14 115.64 115.89 1yro s THR 48 Ca 0.27 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1yro s THR 48 Cb 0.06 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1yro s THR 48 CO 0.13 0.21 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.59 1yro s GLU 49 N -0.26 2.72 -0.04 4.92 2.02 0.91 -1.02 118.70 127.95 1yro s GLU 49 Ca 0.04 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.52 1yro s GLU 49 Cb -0.04 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1yro s GLU 49 CO -0.00 0.66 -0.25 0.71 0.02 0.00 0.00 175.26 176.40 1yro s TYR 50 N -0.83 2.29 0.00 1.61 1.51 0.39 -1.33 117.35 120.99 1yro s TYR 50 Ca 0.13 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1yro s TYR 50 Cb -0.11 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1yro s TYR 50 CO 0.02 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1yro n GLY 51 N 2.71 -1.13 0.26 0.71 0.00 0.32 -1.85 105.19 106.21 1yro n GLY 51 Ca -0.17 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.72 1yro n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yro h LEU 52 N 0.00 -0.27 -0.18 0.99 5.85 -1.71 -1.25 115.31 118.74 1yro h LEU 52 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1yro h LEU 52 Cb 0.00 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1yro h LEU 52 CO 0.00 -0.13 -0.28 0.49 -0.34 0.00 0.00 178.44 178.18 1yro n PHE 53 N -5.29 0.00 -3.60 1.25 3.72 -1.26 -4.19 117.46 108.08 1yro n PHE 53 Ca 0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.25 1yro n PHE 53 Cb 0.42 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 1yro n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yro n GLN 54 N -1.15 -1.99 -2.75 -1.08 1.13 -0.47 -4.94 117.38 106.13 1yro n GLN 54 Ca 0.10 0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 1yro n GLN 54 Cb 0.33 -4.64 -0.03 0.00 0.11 0.00 0.00 30.24 26.00 1yro n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yro s ILE 55 N -3.49 4.89 0.08 5.09 1.01 -0.77 -4.42 121.20 123.58 1yro s ILE 55 Ca 0.39 1.98 -0.21 0.00 0.00 0.00 0.00 60.65 62.81 1yro s ILE 55 Cb -0.12 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 1yro s ILE 55 CO 0.83 0.16 0.64 -0.55 0.00 0.00 0.00 174.94 176.02 1yro s SER 56 N 0.99 7.14 0.00 3.58 0.15 -1.26 -0.46 113.70 123.84 1yro s SER 56 Ca 0.50 1.36 0.25 0.00 0.70 0.00 0.00 55.95 58.76 1yro s SER 56 Cb -0.20 -2.40 1.47 0.00 -1.71 0.00 0.00 66.02 63.18 1yro s SER 56 CO 0.26 0.22 1.86 -0.90 1.20 0.00 0.00 173.24 175.88 1yro n ASP 57 N 1.91 0.00 -0.10 5.45 5.75 -0.19 -2.03 116.55 127.33 1yro n ASP 57 Ca -0.08 -0.69 -0.14 0.00 -0.01 0.00 0.00 54.79 53.86 1yro n ASP 57 Cb 0.50 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.52 1yro n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1yro h ARG 58 N 0.00 0.92 0.00 0.11 2.43 -1.82 -3.42 114.38 112.60 1yro h ARG 58 Ca 0.00 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1yro h ARG 58 Cb 0.03 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1yro h ARG 58 CO 0.00 1.18 -0.40 1.19 -1.51 0.00 0.00 179.97 180.43 1yro n PHE 59 N -4.03 0.00 -0.06 2.20 3.72 -1.24 -4.11 117.46 113.94 1yro n PHE 59 Ca -0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.15 1yro n PHE 59 Cb 0.59 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.00 1yro n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1yro n TRP 60 N -0.96 0.81 -4.37 1.38 7.02 -0.86 -1.45 117.44 119.01 1yro n TRP 60 Ca 0.00 0.22 -0.19 0.00 -1.02 0.00 0.00 57.50 56.51 1yro n TRP 60 Cb 0.14 -1.10 -0.10 0.00 -2.42 0.00 0.00 31.31 27.84 1yro n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yro s LYS 62 N -3.68 4.09 0.49 0.00 2.20 0.15 -4.36 119.74 118.62 1yro s LYS 62 Ca 0.25 0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.94 1yro s LYS 62 Cb 0.01 -3.59 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1yro s LYS 62 CO 0.08 -0.12 0.31 -1.13 -0.36 0.00 0.00 175.35 174.13 1yro n SER 63 N 4.80 2.68 0.13 1.43 3.41 -1.26 -1.39 113.62 123.42 1yro n SER 63 Ca -0.10 -2.74 0.13 0.00 -0.26 0.00 0.00 58.87 55.90 1yro n SER 63 Cb 0.51 0.02 0.44 0.00 -0.26 0.00 0.00 64.21 64.92 1yro n SER 63 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1yro h SER 64 N 0.67 0.00 0.77 4.04 0.87 -1.99 -3.29 113.55 114.61 1yro h SER 64 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1yro h SER 64 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1yro h SER 64 CO 0.51 0.00 -0.98 -0.62 -0.53 0.00 0.00 176.83 175.21 1yro n GLU 65 N -2.36 0.46 -3.89 2.24 4.71 -1.26 -4.76 120.64 115.78 1yro n GLU 65 Ca 0.04 0.06 -0.30 0.00 -0.01 0.00 0.00 57.16 56.95 1yro n GLU 65 Cb 0.36 -1.72 -0.12 0.00 -1.01 0.00 0.00 31.44 28.95 1yro n GLU 65 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1yro s PHE 66 N -3.29 3.38 0.26 -0.32 0.08 -1.24 -4.90 117.98 111.95 1yro s PHE 66 Ca 0.02 -3.17 -0.01 0.00 0.12 0.00 0.00 56.93 53.88 1yro s PHE 66 Cb 0.12 -2.86 0.52 0.00 -0.57 0.00 0.00 43.02 40.24 1yro s PHE 66 CO 0.78 -0.69 1.76 -1.35 -0.10 0.00 0.00 175.22 175.63 1yro h PRO 67 N 6.17 0.61 -0.58 0.24 0.11 -1.86 -1.24 132.00 135.44 1yro h PRO 67 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1yro h PRO 67 Cb 0.85 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1yro h PRO 67 CO 0.71 0.40 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 1yro n GLU 68 N -4.87 2.51 -2.16 1.05 0.00 -1.26 -4.95 120.64 110.97 1yro n GLU 68 Ca 0.17 -1.59 -0.40 0.00 0.00 0.00 0.00 57.16 55.34 1yro n GLU 68 Cb 0.42 -1.60 -0.02 0.00 0.00 0.00 0.00 31.44 30.24 1yro n GLU 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1yro s SER 69 N -0.73 6.74 0.39 -1.84 0.15 -0.47 -4.90 113.70 113.06 1yro s SER 69 Ca 0.28 2.62 0.28 0.00 0.70 0.00 0.00 55.95 59.83 1yro s SER 69 Cb 0.18 -2.64 1.12 0.00 -1.71 0.00 0.00 66.02 62.97 1yro s SER 69 CO 0.14 -0.55 1.83 -0.33 1.20 0.00 0.00 173.24 175.54 1yro h GLU 70 N 3.28 0.00 -6.71 5.44 3.07 -1.71 -3.47 114.58 114.47 1yro h GLU 70 Ca -0.49 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.83 1yro h GLU 70 Cb 1.23 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.04 1yro h GLU 70 CO 0.65 0.00 -0.93 -1.71 -1.40 0.00 0.00 179.01 175.62 1yro n ASN 71 N -2.66 -0.38 -0.33 1.42 4.05 -0.81 -4.82 115.26 111.74 1yro n ASN 71 Ca 0.02 -1.12 0.11 0.00 0.45 0.00 0.00 54.58 54.03 1yro n ASN 71 Cb 0.29 -2.49 0.31 0.00 1.23 0.00 0.00 39.78 39.13 1yro n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1yro h ILE 72 N -1.87 0.83 0.00 -1.44 2.04 -1.15 0.36 117.51 116.28 1yro h ILE 72 Ca -0.65 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1yro h ILE 72 Cb 1.38 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1yro h ILE 72 CO 0.64 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1yro n GLY 74 N 0.57 -0.41 3.09 0.00 0.00 0.13 -4.97 105.19 103.60 1yro n GLY 74 Ca 0.04 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1yro n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yro s ILE 75 N -3.31 0.09 0.19 -0.61 2.07 -1.26 -5.05 121.20 113.32 1yro s ILE 75 Ca 0.39 -0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 58.61 1yro s ILE 75 Cb -0.17 -0.42 -0.08 0.00 0.13 0.00 0.00 42.46 41.92 1yro s ILE 75 CO 0.68 -0.40 1.15 -0.55 -1.91 0.00 0.00 174.94 173.91 1yro s SER 76 N -1.41 7.17 0.59 4.50 0.15 -1.26 -0.68 113.70 122.76 1yro s SER 76 Ca -0.15 2.18 0.28 0.00 0.70 0.00 0.00 55.95 58.97 1yro s SER 76 Cb -0.08 -2.61 1.59 0.00 -1.71 0.00 0.00 66.02 63.21 1yro s SER 76 CO 0.01 -0.29 2.04 0.00 1.20 0.00 0.00 173.24 176.21 1yro h ASP 78 N 0.00 0.00 0.51 0.00 3.32 -1.90 -0.45 116.42 117.90 1yro h ASP 78 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1yro h ASP 78 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1yro h ASP 78 CO -0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1yro n LYS 79 N -3.09 0.18 -0.21 3.56 4.76 0.14 -1.78 118.16 121.71 1yro n LYS 79 Ca -0.01 0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 1yro n LYS 79 Cb 0.21 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.15 1yro n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1yro n LEU 80 N -1.37 3.34 -0.56 -0.35 4.77 -0.18 -4.10 117.00 118.55 1yro n LEU 80 Ca 0.08 -1.49 0.05 0.00 -0.03 0.00 0.00 56.01 54.62 1yro n LEU 80 Cb 0.19 -0.28 0.14 0.00 -2.33 0.00 0.00 43.42 41.14 1yro n LEU 80 CO 0.17 0.75 0.62 0.18 -1.33 0.00 0.00 177.39 177.77 1yro n LEU 81 N 1.39 2.86 0.00 2.23 4.77 -0.73 -3.40 117.00 124.12 1yro n LEU 81 Ca 0.20 -2.09 -0.06 0.00 -0.03 0.00 0.00 56.01 54.03 1yro n LEU 81 Cb 0.57 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1yro n LEU 81 CO 0.16 0.70 0.03 -0.90 -1.33 0.00 0.00 177.39 176.04 1yro n ASP 82 N 0.28 1.22 -0.80 -1.43 5.68 -1.26 -4.47 116.55 115.76 1yro n ASP 82 Ca 0.11 -1.45 0.11 0.00 -0.50 0.00 0.00 54.79 53.06 1yro n ASP 82 Cb 0.44 -0.03 0.29 0.00 -1.14 0.00 0.00 41.12 40.68 1yro n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1yro n ASP 83 N -2.16 2.39 -4.47 -1.12 9.92 -1.26 -4.75 116.55 115.11 1yro n ASP 83 Ca 0.01 -1.85 -0.43 0.00 -0.53 0.00 0.00 54.79 51.98 1yro n ASP 83 Cb 0.15 -0.18 -0.06 0.00 -0.64 0.00 0.00 41.12 40.39 1yro n ASP 83 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1yro s GLU 84 N -1.64 3.17 0.00 -1.24 2.56 -1.26 -4.95 118.70 115.35 1yro s GLU 84 Ca 0.34 -0.74 0.26 0.00 0.00 0.00 0.00 54.97 54.83 1yro s GLU 84 Cb 0.19 -4.07 0.76 0.00 2.00 0.00 0.00 34.13 33.00 1yro s GLU 84 CO 0.27 -1.23 1.57 1.28 -0.56 0.00 0.00 175.26 176.60 1yro n LEU 85 N 6.35 0.69 -0.25 2.70 4.32 -1.26 -4.35 117.00 125.20 1yro n LEU 85 Ca -0.05 -0.08 -0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1yro n LEU 85 Cb 0.46 -0.20 0.22 0.00 -1.62 0.00 0.00 43.42 42.28 1yro n LEU 85 CO 0.55 0.14 1.25 0.44 -1.22 0.00 0.00 177.39 178.55 1yro h ASP 86 N 0.59 0.92 0.53 -1.43 3.45 -1.92 0.74 116.42 119.31 1yro h ASP 86 Ca 0.00 -0.03 -0.18 0.00 0.43 0.00 0.00 57.03 57.25 1yro h ASP 86 Cb 0.48 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1yro h ASP 86 CO 0.00 0.67 -0.81 -2.24 -1.57 0.00 0.00 179.24 175.30 1yro h ASP 87 N 1.09 0.26 -0.43 6.45 3.04 -1.93 -1.50 116.42 123.40 1yro h ASP 87 Ca 0.29 -0.19 -0.01 0.00 -3.24 0.00 0.00 57.03 53.88 1yro h ASP 87 Cb -0.12 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 38.07 1yro h ASP 87 CO -0.06 0.96 0.23 0.44 -2.04 0.00 0.00 179.24 178.77 1yro h ASP 88 N 0.13 0.54 -0.48 4.15 3.45 -1.63 -1.36 116.42 121.22 1yro h ASP 88 Ca -0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1yro h ASP 88 Cb 1.41 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 1yro h ASP 88 CO 0.12 0.48 0.23 0.40 -1.57 0.00 0.00 179.24 178.91 1yro h ILE 89 N 0.56 1.19 -0.96 0.35 2.04 -0.83 0.40 117.51 120.26 1yro h ILE 89 Ca 0.15 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1yro h ILE 89 Cb 0.07 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1yro h ILE 89 CO -0.02 0.21 0.63 0.00 0.00 0.00 0.00 178.15 178.97 1yro h ALA 90 N 1.07 1.35 -0.31 1.87 0.00 -0.94 0.13 119.26 122.44 1yro h ALA 90 Ca 0.17 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1yro h ALA 90 Cb 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1yro h ALA 90 CO -0.02 0.57 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 1yro h ALA 92 N 0.71 1.58 -0.60 0.00 0.00 -0.28 -0.87 119.26 119.80 1yro h ALA 92 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1yro h ALA 92 Cb 0.93 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1yro h ALA 92 CO 0.08 0.33 0.04 0.87 0.00 0.00 0.00 179.25 180.58 1yro h LYS 93 N 0.89 1.01 -0.55 0.00 1.57 -0.78 0.72 116.57 119.43 1yro h LYS 93 Ca 0.30 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1yro h LYS 93 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1yro h LYS 93 CO -0.09 0.97 0.05 0.87 -0.57 0.00 0.00 179.45 180.68 1yro h LYS 94 N 0.94 0.89 -0.43 3.15 1.57 -0.88 0.55 116.57 122.36 1yro h LYS 94 Ca 0.18 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1yro h LYS 94 Cb 0.49 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1yro h LYS 94 CO 0.02 0.85 0.17 0.82 -0.57 0.00 0.00 179.45 180.74 1yro h ILE 95 N 0.84 1.20 -0.80 1.86 2.04 -0.65 -0.59 117.51 121.41 1yro h ILE 95 Ca 0.17 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1yro h ILE 95 Cb 0.42 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1yro h ILE 95 CO 0.01 0.23 0.50 -0.07 0.00 0.00 0.00 178.15 178.83 1yro h LEU 96 N 0.56 0.81 -0.70 1.44 3.38 -0.36 0.32 115.31 120.76 1yro h LEU 96 Ca 0.14 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1yro h LEU 96 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yro h LEU 96 CO -0.01 0.54 -0.45 0.00 0.09 0.00 0.00 178.44 178.61 1yro h ALA 97 N 1.36 0.88 0.00 1.53 0.00 -0.56 -2.42 119.26 120.05 1yro h ALA 97 Ca 0.33 -0.46 -0.36 0.00 0.00 0.00 0.00 54.91 54.43 1yro h ALA 97 Cb 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1yro h ALA 97 CO -0.14 0.65 -1.95 -0.89 0.00 0.00 0.00 179.25 176.92 1yro n ILE 98 N -4.00 1.54 -0.11 0.00 5.41 -0.26 -4.76 119.36 117.18 1yro n ILE 98 Ca -0.02 -0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.33 1yro n ILE 98 Cb 0.53 -1.93 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 1yro n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1yro n LYS 99 N -4.27 0.65 0.00 0.38 3.00 0.95 -5.09 118.16 113.78 1yro n LYS 99 Ca -0.44 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.99 1yro n LYS 99 Cb 0.81 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.36 1yro n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yro n GLY 100 N 2.29 0.95 0.30 3.14 0.00 -0.14 -4.65 105.19 107.08 1yro n GLY 100 Ca -0.40 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 43.65 1yro n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yro h ILE 101 N 0.00 0.59 0.00 -0.61 6.09 -1.87 -2.13 117.51 119.58 1yro h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1yro h ILE 101 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1yro h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1yro n ASP 102 N -3.95 0.00 -0.21 2.19 10.43 -1.26 -1.11 116.55 122.64 1yro n ASP 102 Ca -0.02 -0.41 0.03 0.00 2.57 0.00 0.00 54.79 56.97 1yro n ASP 102 Cb 0.13 -0.04 0.29 0.00 1.84 0.00 0.00 41.12 43.34 1yro n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1yro h TYR 103 N 0.00 0.89 -2.43 1.24 3.20 -1.68 -3.34 116.97 114.86 1yro h TYR 103 Ca 0.00 0.02 -0.62 0.00 3.14 0.00 0.00 58.73 61.27 1yro h TYR 103 Cb 0.02 -0.30 -0.14 0.00 1.54 0.00 0.00 36.73 37.86 1yro h TYR 103 CO 0.00 0.51 0.76 -1.58 -1.64 0.00 0.00 178.16 176.21 1yro s TRP 104 N -5.79 2.68 0.65 -3.82 0.51 -0.27 -4.89 118.94 108.01 1yro s TRP 104 Ca -0.11 -0.65 0.34 0.00 -2.12 0.00 0.00 56.10 53.57 1yro s TRP 104 Cb 0.19 -4.38 1.88 0.00 -0.81 0.00 0.00 33.47 30.35 1yro s TRP 104 CO 0.78 -1.71 2.09 0.87 -0.51 0.00 0.00 176.95 178.46 1yro h LYS 105 N 9.53 0.00 0.00 4.98 1.57 -1.84 -2.13 116.57 128.69 1yro h LYS 105 Ca -0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1yro h LYS 105 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1yro h LYS 105 CO 1.21 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 179.95 1yro h ALA 106 N 1.61 0.93 0.31 3.86 0.00 -1.92 -3.38 119.26 120.67 1yro h ALA 106 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yro h ALA 106 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1yro h ALA 106 CO -0.00 0.17 -0.34 -0.92 0.00 0.00 0.00 179.25 178.15 1yro h TYR 107 N 0.00 -0.93 0.90 0.00 3.20 -1.71 -0.46 116.97 117.97 1yro h TYR 107 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1yro h TYR 107 Cb 1.01 0.37 0.01 0.00 1.54 0.00 0.00 36.73 39.66 1yro h TYR 107 CO 0.00 -0.48 -0.43 -0.22 -1.64 0.00 0.00 178.16 175.39 1yro h LYS 108 N -0.69 -1.16 -0.02 1.82 3.64 -1.79 0.51 116.57 118.89 1yro h LYS 108 Ca -0.01 0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1yro h LYS 108 Cb 0.64 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1yro h LYS 108 CO -0.08 -0.77 -0.35 -1.00 -2.27 0.00 0.00 179.45 174.98 1yro h PRO 109 N -1.24 0.03 0.00 1.90 0.13 -1.77 -3.32 132.00 127.73 1yro h PRO 109 Ca -0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1yro h PRO 109 Cb 0.93 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1yro h PRO 109 CO 0.20 0.37 -1.04 -1.33 -0.23 0.00 0.00 178.00 175.98 1yro n MET 110 N -4.12 1.79 -0.76 0.86 2.81 -0.18 -4.67 117.12 112.85 1yro n MET 110 Ca -0.02 -0.05 0.06 0.00 -1.81 0.00 0.00 57.70 55.87 1yro n MET 110 Cb 0.39 -1.16 0.16 0.00 -0.71 0.00 0.00 33.22 31.90 1yro n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yro n SER 112 N -0.74 0.83 -3.13 0.00 7.64 -1.23 -4.93 113.62 112.05 1yro n SER 112 Ca 0.15 -0.64 -0.11 0.00 1.01 0.00 0.00 58.87 59.29 1yro n SER 112 Cb 0.79 0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1yro n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1yro s GLU 113 N -2.72 2.08 -1.26 1.43 -1.05 -1.26 -5.00 118.70 110.92 1yro s GLU 113 Ca 0.18 -1.51 -0.14 0.00 -0.15 0.00 0.00 54.97 53.36 1yro s GLU 113 Cb 0.18 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.44 1yro s GLU 113 CO 0.60 -0.93 0.62 1.63 0.95 0.00 0.00 175.26 178.13 1yro n LYS 114 N -0.53 -1.99 0.09 -4.83 5.02 -1.26 -4.90 118.16 109.76 1yro n LYS 114 Ca -0.05 0.39 0.02 0.00 -2.02 0.00 0.00 58.31 56.65 1yro n LYS 114 Cb 0.60 -4.12 -0.03 0.00 -0.02 0.00 0.00 35.03 31.47 1yro n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yro h LEU 115 N -1.95 0.00 -1.63 -0.35 3.38 -1.94 -3.36 115.31 109.46 1yro h LEU 115 Ca -0.66 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.33 1yro h LEU 115 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1yro h LEU 115 CO 0.55 0.51 0.28 -0.08 0.09 0.00 0.00 178.44 179.79 1yro h GLU 116 N 0.00 0.48 0.00 1.13 4.57 -1.96 0.53 114.58 119.32 1yro h GLU 116 Ca -0.08 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1yro h GLU 116 Cb 1.46 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1yro h GLU 116 CO 0.05 0.32 0.00 -0.56 -1.18 0.00 0.00 179.01 177.64 1yro h GLN 117 N 0.49 0.00 -0.11 1.92 3.07 -1.98 -1.77 115.11 116.73 1yro h GLN 117 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1yro h GLN 117 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1yro h GLN 117 CO -0.04 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.79 1yro n TRP 118 N -2.67 0.14 -2.60 0.06 7.02 0.18 -4.90 117.44 114.66 1yro n TRP 118 Ca -0.01 -0.07 -0.36 0.00 -1.02 0.00 0.00 57.50 56.04 1yro n TRP 118 Cb 0.14 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 1yro n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1yro s ARG 119 N -1.86 4.21 0.05 -0.99 3.52 -0.67 -4.75 118.95 118.45 1yro s ARG 119 Ca 0.33 1.44 -0.31 0.00 -0.13 0.00 0.00 55.73 57.06 1yro s ARG 119 Cb 0.17 -2.51 -0.06 0.00 -1.56 0.00 0.00 34.95 30.99 1yro s ARG 119 CO 0.27 -0.09 1.29 0.00 -0.81 0.00 0.00 175.30 175.96 1yro n GLU 121 N 4.36 1.34 -0.43 0.00 0.00 -1.26 -4.83 120.64 119.83 1yro n GLU 121 Ca 0.11 -1.49 -0.14 0.00 0.00 0.00 0.00 57.16 55.63 1yro n GLU 121 Cb 0.45 -2.64 -0.00 0.00 0.00 0.00 0.00 31.44 29.25 1yro n GLU 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1yro n LYS 122 N 6.09 0.00 0.00 3.44 4.76 -1.26 -5.04 118.16 126.15 1yro n LYS 122 Ca 0.43 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 56.03 1yro n LYS 122 Cb 0.28 -0.32 0.94 0.00 -1.84 0.00 0.00 35.03 34.09 1yro n LYS 122 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73