#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hij n LYS 2 N 0.00 1.63 -1.81 -1.40 4.76 -1.26 -4.50 118.16 115.59 1hij n LYS 2 Ca 0.00 -0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 1hij n LYS 2 Cb 0.00 -1.33 0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1hij n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hij s ASP 4 N -3.01 5.83 0.07 0.00 2.15 -1.26 -4.93 116.67 115.52 1hij s ASP 4 Ca 0.55 1.57 0.11 0.00 0.43 0.00 0.00 52.55 55.21 1hij s ASP 4 Cb 0.44 -2.49 0.50 0.00 -0.30 0.00 0.00 42.92 41.07 1hij s ASP 4 CO 0.01 -1.14 1.35 2.30 -0.17 0.00 0.00 175.17 177.52 1hij n ILE 5 N -2.74 1.35 0.21 4.11 -6.64 -1.26 -1.77 119.36 112.61 1hij n ILE 5 Ca 0.07 0.39 0.11 0.00 -1.77 0.00 0.00 62.75 61.56 1hij n ILE 5 Cb 0.54 -1.29 0.68 0.00 -1.44 0.00 0.00 39.64 38.13 1hij n ILE 5 CO 0.00 0.00 0.00 0.74 -1.77 0.00 0.00 176.55 175.52 1hij h THR 6 N 0.00 0.89 -0.38 7.28 2.02 -1.98 -0.41 112.91 120.33 1hij h THR 6 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1hij h THR 6 Cb 0.15 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1hij h THR 6 CO 0.00 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 176.02 1hij h LEU 7 N 0.00 0.49 -0.93 2.58 3.38 -1.73 -0.53 115.31 118.57 1hij h LEU 7 Ca 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1hij h LEU 7 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1hij h LEU 7 CO -0.00 0.45 0.25 1.56 0.09 0.00 0.00 178.44 180.79 1hij h GLN 8 N 0.49 1.03 -0.86 1.13 1.08 -1.29 0.23 115.11 116.92 1hij h GLN 8 Ca 0.13 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1hij h GLN 8 Cb 0.08 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1hij h GLN 8 CO -0.02 0.86 0.52 0.93 -0.95 0.00 0.00 178.83 180.17 1hij h GLU 9 N 1.01 1.17 -0.18 1.46 4.39 -0.80 0.41 114.58 122.03 1hij h GLU 9 Ca 0.23 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1hij h GLU 9 Cb 0.22 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1hij h GLU 9 CO -0.02 0.82 -0.12 0.82 -1.16 0.00 0.00 179.01 179.35 1hij h ILE 10 N 1.19 1.32 0.13 3.13 2.04 -0.35 -1.84 117.51 123.13 1hij h ILE 10 Ca 0.31 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1hij h ILE 10 Cb -0.05 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1hij h ILE 10 CO -0.06 0.37 -0.06 0.40 0.00 0.00 0.00 178.15 178.80 1hij h ILE 11 N 0.08 0.99 -0.83 -0.67 2.04 -0.65 0.92 117.51 119.40 1hij h ILE 11 Ca 0.04 -0.54 0.16 0.00 1.00 0.00 0.00 64.86 65.52 1hij h ILE 11 Cb 0.63 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1hij h ILE 11 CO 0.03 0.13 0.55 0.50 0.00 0.00 0.00 178.15 179.36 1hij h LYS 12 N -0.44 0.49 0.13 2.37 3.64 -0.24 -0.37 116.57 122.16 1hij h LYS 12 Ca -0.02 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.05 1hij h LYS 12 Cb 0.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1hij h LYS 12 CO 0.03 0.32 -1.28 1.15 -2.27 0.00 0.00 179.45 177.40 1hij h THR 13 N 0.50 1.46 -0.65 1.00 2.02 -1.11 -3.22 112.91 112.91 1hij h THR 13 Ca 0.42 -3.03 0.03 0.00 0.77 0.00 0.00 66.41 64.60 1hij h THR 13 Cb 0.87 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 70.18 1hij h THR 13 CO -0.16 0.88 0.43 -0.07 0.37 0.00 0.00 175.52 176.97 1hij h LEU 14 N 0.08 0.67 -0.31 2.58 -0.00 0.75 -2.26 115.31 116.82 1hij h LEU 14 Ca -0.15 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 1hij h LEU 14 Cb 1.99 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 42.48 1hij h LEU 14 CO 0.20 0.47 0.01 0.78 -0.00 0.00 0.00 178.44 179.90 1hij h ASN 15 N 0.78 0.52 0.03 -0.43 2.35 -1.19 -0.23 115.58 117.41 1hij h ASN 15 Ca 0.26 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1hij h ASN 15 Cb 0.05 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1hij h ASN 15 CO -0.07 0.69 -0.22 0.28 -1.65 0.00 0.00 177.43 176.47 1hij h SER 16 N 0.34 -0.63 0.22 5.81 0.02 -1.45 -1.29 113.55 116.56 1hij h SER 16 Ca 0.09 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1hij h SER 16 Cb 0.42 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1hij h SER 16 CO 0.01 -0.29 -0.37 -0.07 -1.14 0.00 0.00 176.83 174.97 1hij h LEU 17 N -0.36 -1.06 -2.42 5.07 -0.00 -1.30 -2.01 115.31 113.22 1hij h LEU 17 Ca 0.05 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1hij h LEU 17 Cb 0.43 0.38 -0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1hij h LEU 17 CO -0.18 -0.48 -0.03 0.71 -0.00 0.00 0.00 178.44 178.46 1hij h THR 18 N -0.67 0.33 -0.81 0.22 1.35 -0.92 -2.25 112.91 110.16 1hij h THR 18 Ca 0.00 -0.17 -0.35 0.00 -0.55 0.00 0.00 66.41 65.34 1hij h THR 18 Cb 0.66 1.12 -0.21 0.00 -1.73 0.00 0.00 68.15 67.99 1hij h THR 18 CO -0.16 0.03 0.44 -0.62 -0.25 0.00 0.00 175.52 174.97 1hij n GLU 19 N -3.50 2.79 -4.16 4.72 -0.58 -0.50 -4.94 120.64 114.47 1hij n GLU 19 Ca -0.02 -2.78 -0.10 0.00 -0.42 0.00 0.00 57.16 53.83 1hij n GLU 19 Cb 0.13 -2.11 -0.10 0.00 -0.57 0.00 0.00 31.44 28.79 1hij n GLU 19 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1hij s GLN 20 N -2.91 0.94 0.11 3.49 -2.07 -0.85 -5.02 119.66 113.36 1hij s GLN 20 Ca 0.51 -1.44 0.05 0.00 -1.82 0.00 0.00 55.36 52.66 1hij s GLN 20 Cb 0.42 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 1hij s GLN 20 CO 0.11 -0.23 -0.12 0.21 -1.32 0.00 0.00 175.29 173.94 1hij s LYS 21 N -4.02 0.95 0.19 9.60 2.47 -1.26 -5.02 119.74 122.64 1hij s LYS 21 Ca 0.23 -1.22 -0.24 0.00 -1.56 0.00 0.00 55.97 53.18 1hij s LYS 21 Cb 0.07 -0.72 0.05 0.00 -1.46 0.00 0.00 37.83 35.77 1hij s LYS 21 CO 0.02 0.13 0.84 0.99 0.16 0.00 0.00 175.35 177.48 1hij s THR 22 N -2.37 0.00 -1.05 3.43 2.01 -1.26 -4.91 115.64 111.50 1hij s THR 22 Ca 0.08 -0.69 0.23 0.00 0.31 0.00 0.00 61.69 61.62 1hij s THR 22 Cb -0.03 -1.85 0.22 0.00 0.01 0.00 0.00 72.50 70.84 1hij s THR 22 CO 0.02 0.00 1.75 0.18 -0.69 0.00 0.00 174.62 175.87 1hij n LEU 23 N -0.44 0.00 0.01 4.42 4.77 -1.26 -3.34 117.00 121.16 1hij n LEU 23 Ca -0.06 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1hij n LEU 23 Cb 0.60 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1hij n LEU 23 CO 0.14 -0.10 -0.37 0.00 -1.33 0.00 0.00 177.39 175.73 1hij n THR 25 N -2.04 0.00 0.25 0.00 -2.24 -1.21 -2.77 114.28 106.27 1hij n THR 25 Ca -0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1hij n THR 25 Cb 0.48 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1hij n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hij n GLU 26 N -0.66 3.51 -2.27 -0.78 -0.58 -1.26 -2.72 120.64 115.89 1hij n GLU 26 Ca 0.06 -0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 1hij n GLU 26 Cb 0.03 -0.92 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 1hij n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hij s LEU 27 N -2.64 3.66 0.02 -4.62 1.43 -1.11 -4.69 118.68 110.72 1hij s LEU 27 Ca 0.01 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1hij s LEU 27 Cb 0.05 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1hij s LEU 27 CO 0.29 -0.99 0.36 0.42 0.23 0.00 0.00 176.35 176.67 1hij s THR 28 N -2.23 5.13 0.38 5.49 -4.23 -1.26 -1.74 115.64 117.18 1hij s THR 28 Ca 0.65 0.57 0.08 0.00 -1.18 0.00 0.00 61.69 61.81 1hij s THR 28 Cb -0.16 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1hij s THR 28 CO 0.29 0.46 0.12 0.68 -0.54 0.00 0.00 174.62 175.63 1hij s VAL 29 N -1.21 2.48 0.04 2.29 -7.23 -0.50 -4.89 120.40 111.37 1hij s VAL 29 Ca 0.27 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.34 1hij s VAL 29 Cb -0.15 -2.94 -0.06 0.00 0.56 0.00 0.00 36.38 33.79 1hij s VAL 29 CO 0.14 -0.08 1.39 -0.89 -0.31 0.00 0.00 175.10 175.35 1hij s THR 30 N -2.56 3.60 -1.09 5.32 2.01 -1.26 -0.93 115.64 120.73 1hij s THR 30 Ca 0.38 1.06 -0.21 0.00 0.31 0.00 0.00 61.69 63.23 1hij s THR 30 Cb 0.02 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.91 1hij s THR 30 CO 0.21 0.03 1.51 -0.62 -0.69 0.00 0.00 174.62 175.06 1hij s ASP 31 N 1.62 6.60 0.16 3.53 2.15 -0.12 -4.71 116.67 125.91 1hij s ASP 31 Ca 0.64 -1.76 0.22 0.00 0.43 0.00 0.00 52.55 52.08 1hij s ASP 31 Cb -0.33 -2.56 0.88 0.00 -0.30 0.00 0.00 42.92 40.61 1hij s ASP 31 CO 0.28 -1.39 1.67 2.30 -0.17 0.00 0.00 175.17 177.86 1hij n ILE 32 N 6.66 0.78 -0.73 4.11 -5.35 -1.26 -2.33 119.36 121.24 1hij n ILE 32 Ca 0.37 0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.88 1hij n ILE 32 Cb 0.49 -0.99 0.21 0.00 -1.74 0.00 0.00 39.64 37.61 1hij n ILE 32 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1hij n PHE 33 N -1.98 2.25 0.27 4.28 3.72 -1.26 -3.66 117.46 121.06 1hij n PHE 33 Ca 0.03 -1.27 0.05 0.00 -0.05 0.00 0.00 57.45 56.22 1hij n PHE 33 Cb 0.25 -0.70 0.07 0.00 -0.94 0.00 0.00 39.48 38.16 1hij n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hij n ALA 34 N -0.40 2.39 -1.78 4.37 0.00 -0.98 -5.02 120.51 119.08 1hij n ALA 34 Ca 0.40 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.74 1hij n ALA 34 Cb 1.32 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 1hij n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hij s ALA 35 N -0.91 3.14 -0.08 0.00 0.00 -1.24 -4.97 121.76 117.70 1hij s ALA 35 Ca 0.15 0.65 0.11 0.00 0.00 0.00 0.00 51.96 52.87 1hij s ALA 35 Cb 0.09 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 1hij s ALA 35 CO 0.14 -0.08 0.12 -1.13 0.00 0.00 0.00 175.76 174.81 1hij n SER 36 N 0.16 2.04 0.16 0.00 3.41 -1.26 -4.62 113.62 113.51 1hij n SER 36 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1hij n SER 36 Cb 0.50 1.06 0.27 0.00 -0.26 0.00 0.00 64.21 65.78 1hij n SER 36 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hij h LYS 37 N 0.00 0.03 -1.40 4.33 1.79 -2.01 -3.49 116.57 115.83 1hij h LYS 37 Ca -0.22 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.40 1hij h LYS 37 Cb 1.36 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.96 1hij h LYS 37 CO 0.01 0.50 -0.27 0.09 -1.08 0.00 0.00 179.45 178.70 1hij n ASN 38 N -3.98 -3.69 0.00 0.86 5.03 -1.26 -5.10 115.26 107.13 1hij n ASN 38 Ca -0.02 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1hij n ASN 38 Cb 0.49 -1.91 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 1hij n ASN 38 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1hij n THR 39 N -2.65 0.00 -4.42 3.41 -2.24 -1.26 -5.15 114.28 101.98 1hij n THR 39 Ca -0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 1hij n THR 39 Cb 0.28 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 1hij n THR 39 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1hij s THR 40 N 0.23 2.29 0.21 4.28 -1.32 -1.26 -5.00 115.64 115.07 1hij s THR 40 Ca 0.00 -2.09 -0.16 0.00 -1.21 0.00 0.00 61.69 58.23 1hij s THR 40 Cb 0.00 -2.11 0.23 0.00 -1.51 0.00 0.00 72.50 69.10 1hij s THR 40 CO 0.00 -0.21 1.60 -0.08 -2.21 0.00 0.00 174.62 173.72 1hij h GLU 41 N 3.02 -0.06 0.00 7.08 4.81 -2.03 0.40 114.58 127.80 1hij h GLU 41 Ca -0.44 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1hij h GLU 41 Cb 1.22 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1hij h GLU 41 CO 0.51 -0.04 -0.13 0.87 -0.73 0.00 0.00 179.01 179.48 1hij h LYS 42 N -0.07 0.00 0.00 1.92 1.57 -1.90 -1.33 116.57 116.77 1hij h LYS 42 Ca 0.30 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.84 1hij h LYS 42 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1hij h LYS 42 CO -0.74 0.13 -1.38 1.49 -0.57 0.00 0.00 179.45 178.38 1hij h GLU 43 N 0.00 0.00 -0.75 3.15 4.81 -1.22 -1.50 114.58 119.07 1hij h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hij h GLU 43 Cb 0.48 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1hij h GLU 43 CO 0.02 0.65 0.47 1.15 -0.73 0.00 0.00 179.01 180.57 1hij h THR 44 N 0.00 1.20 -0.01 0.32 2.02 0.34 -1.38 112.91 115.39 1hij h THR 44 Ca -0.17 -0.42 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 1hij h THR 44 Cb 1.87 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1hij h THR 44 CO 0.09 0.21 -0.44 -0.26 0.37 0.00 0.00 175.52 175.49 1hij h PHE 45 N 1.03 0.47 -0.78 3.16 0.04 -1.21 -1.78 116.94 117.88 1hij h PHE 45 Ca 0.27 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1hij h PHE 45 Cb -0.07 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1hij h PHE 45 CO 0.00 1.05 0.41 0.00 -0.60 0.00 0.00 178.31 179.17 1hij h ARG 47 N 1.09 0.32 -0.51 0.00 3.08 -1.22 0.47 114.38 117.61 1hij h ARG 47 Ca 0.27 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1hij h ARG 47 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1hij h ARG 47 CO -0.04 0.40 0.05 0.00 -1.07 0.00 0.00 179.97 179.30 1hij h ALA 48 N 0.91 0.68 -0.80 0.04 0.00 -1.04 -1.64 119.26 117.40 1hij h ALA 48 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1hij h ALA 48 Cb 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1hij h ALA 48 CO -0.00 0.45 0.53 0.00 0.00 0.00 0.00 179.25 180.22 1hij h ALA 49 N 0.96 1.59 0.62 0.00 0.00 0.21 -2.16 119.26 120.49 1hij h ALA 49 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1hij h ALA 49 Cb 0.45 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hij h ALA 49 CO 0.02 0.30 -0.30 1.15 0.00 0.00 0.00 179.25 180.41 1hij h THR 50 N 0.91 0.00 -0.70 0.00 2.02 -0.08 -2.28 112.91 112.78 1hij h THR 50 Ca 0.34 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1hij h THR 50 Cb 0.18 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.52 1hij h THR 50 CO -0.12 0.00 0.33 -0.37 0.37 0.00 0.00 175.52 175.74 1hij h VAL 51 N -1.01 0.83 -0.90 3.16 -1.51 -1.15 0.86 116.25 116.53 1hij h VAL 51 Ca -0.09 -0.20 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 1hij h VAL 51 Cb 0.64 0.21 -0.06 0.00 -2.13 0.00 0.00 31.29 29.95 1hij h VAL 51 CO 0.14 0.10 0.57 -0.07 -1.23 0.00 0.00 177.57 177.08 1hij h LEU 52 N 0.57 0.91 -0.58 4.19 -0.00 -1.44 -1.81 115.31 117.14 1hij h LEU 52 Ca 0.34 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 58.08 1hij h LEU 52 Cb 0.38 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1hij h LEU 52 CO -0.28 0.59 -0.66 -0.09 -0.00 0.00 0.00 178.44 178.00 1hij h ARG 53 N 1.05 0.21 -0.37 1.13 2.43 -0.31 -2.44 114.38 116.09 1hij h ARG 53 Ca 0.39 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1hij h ARG 53 Cb 0.14 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1hij h ARG 53 CO -0.16 0.80 -0.19 0.37 -1.51 0.00 0.00 179.97 179.28 1hij h GLN 54 N 0.15 0.69 0.20 0.20 4.15 -0.56 -3.02 115.11 116.92 1hij h GLN 54 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 1hij h GLN 54 Cb 1.19 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1hij h GLN 54 CO 0.10 0.83 -0.10 0.35 -1.93 0.00 0.00 178.83 178.09 1hij h PHE 55 N 0.61 -0.25 -0.84 3.99 3.04 -0.91 -1.03 116.94 121.55 1hij h PHE 55 Ca 0.09 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.15 1hij h PHE 55 Cb 0.66 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.19 1hij h PHE 55 CO 0.03 -0.16 0.55 0.10 -2.02 0.00 0.00 178.31 176.81 1hij h TYR 56 N -0.34 0.83 -0.18 0.41 -0.00 -1.58 0.38 116.97 116.49 1hij h TYR 56 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1hij h TYR 56 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 36.73 36.66 1hij h TYR 56 CO 0.13 0.37 -0.23 0.66 -0.00 0.00 0.00 178.16 179.08 1hij h SER 57 N 0.76 0.33 1.53 0.10 4.64 -1.56 0.35 113.55 119.69 1hij h SER 57 Ca 0.40 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1hij h SER 57 Cb 0.51 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1hij h SER 57 CO -0.17 0.57 -0.48 0.45 -0.87 0.00 0.00 176.83 176.34 1hij h HIS 58 N 0.30 0.00 0.00 4.77 3.86 0.68 -3.37 115.15 121.39 1hij h HIS 58 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1hij h HIS 58 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1hij h HIS 58 CO 0.01 0.08 0.00 0.72 0.86 0.00 0.00 177.93 179.61 1hij n HIS 59 N -2.96 0.00 -0.17 2.45 8.25 0.10 -4.65 115.22 118.24 1hij n HIS 59 Ca 0.02 -0.36 -0.07 0.00 -0.26 0.00 0.00 57.72 57.04 1hij n HIS 59 Cb 0.58 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.67 1hij n HIS 59 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1hij h GLU 60 N 0.00 0.69 -0.65 -0.41 4.81 -0.50 -3.03 114.58 115.49 1hij h GLU 60 Ca 0.00 -0.06 -0.48 0.00 -0.13 0.00 0.00 59.36 58.70 1hij h GLU 60 Cb 0.42 -0.15 -0.37 0.00 0.63 0.00 0.00 28.75 29.28 1hij h GLU 60 CO 0.00 0.49 -0.77 1.63 -0.73 0.00 0.00 179.01 179.63 1hij n LYS 61 N -4.70 3.34 -2.64 1.92 4.76 -1.26 -4.89 118.16 114.69 1hij n LYS 61 Ca 0.02 -4.05 -0.42 0.00 -2.87 0.00 0.00 58.31 51.00 1hij n LYS 61 Cb 0.05 -2.19 -0.03 0.00 -1.84 0.00 0.00 35.03 31.02 1hij n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1hij s ASP 62 N -3.54 7.31 0.28 4.39 -1.08 -1.15 -4.94 116.67 117.95 1hij s ASP 62 Ca 0.49 1.76 0.01 0.00 -0.52 0.00 0.00 52.55 54.30 1hij s ASP 62 Cb 0.41 -2.57 0.54 0.00 -1.46 0.00 0.00 42.92 39.83 1hij s ASP 62 CO 0.02 -0.29 1.85 0.74 0.52 0.00 0.00 175.17 178.01 1hij h THR 63 N 4.64 0.95 0.00 1.71 2.02 -1.96 -0.43 112.91 119.84 1hij h THR 63 Ca -0.41 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1hij h THR 63 Cb 1.22 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1hij h THR 63 CO 0.76 0.19 0.00 0.54 0.37 0.00 0.00 175.52 177.38 1hij n ARG 64 N -4.59 0.12 0.00 6.66 3.00 -1.26 -3.73 116.66 116.87 1hij n ARG 64 Ca 0.18 0.21 0.00 0.00 -0.01 0.00 0.00 57.85 58.23 1hij n ARG 64 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.28 1hij n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hij h LEU 66 N 0.00 0.35 0.00 0.00 3.38 -1.38 -3.44 115.31 114.22 1hij h LEU 66 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hij h LEU 66 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1hij h LEU 66 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1hij n GLY 67 N -1.54 2.37 0.06 0.83 0.00 -1.26 -3.42 105.19 102.22 1hij n GLY 67 Ca 0.21 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 1hij n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hij h ALA 68 N 0.00 0.01 -3.16 4.61 0.00 -1.93 -3.43 119.26 115.36 1hij h ALA 68 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1hij h ALA 68 Cb 0.00 0.18 0.04 0.00 0.00 0.00 0.00 17.79 18.00 1hij h ALA 68 CO 0.00 0.18 0.08 0.25 0.00 0.00 0.00 179.25 179.75 1hij n THR 69 N -4.70 0.00 -0.08 0.00 -2.24 -1.26 -4.94 114.28 101.05 1hij n THR 69 Ca -0.04 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1hij n THR 69 Cb 0.15 -1.81 -0.11 0.00 -2.10 0.00 0.00 70.33 66.45 1hij n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hij h ALA 70 N -1.98 0.10 -0.64 6.98 0.00 -1.98 -3.08 119.26 118.67 1hij h ALA 70 Ca -0.09 -0.75 0.17 0.00 0.00 0.00 0.00 54.91 54.25 1hij h ALA 70 Cb 0.24 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1hij h ALA 70 CO 0.06 0.28 0.45 0.37 0.00 0.00 0.00 179.25 180.41 1hij h GLN 71 N -1.00 0.09 0.12 0.00 -0.00 -1.98 0.16 115.11 112.50 1hij h GLN 71 Ca -0.13 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1hij h GLN 71 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.51 1hij h GLN 71 CO -0.08 0.06 -0.06 1.96 0.00 0.00 0.00 178.83 180.71 1hij h GLN 72 N 0.10 -0.16 -0.84 1.69 4.20 -1.93 -1.78 115.11 116.39 1hij h GLN 72 Ca 0.31 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.05 1hij h GLN 72 Cb 1.08 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.84 1hij h GLN 72 CO -0.03 0.31 0.55 0.35 -0.67 0.00 0.00 178.83 179.34 1hij h PHE 73 N -0.75 1.03 -0.36 2.96 3.57 -1.13 -1.36 116.94 120.90 1hij h PHE 73 Ca -0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1hij h PHE 73 Cb 0.54 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1hij h PHE 73 CO 0.09 0.61 0.14 1.25 -2.23 0.00 0.00 178.31 178.17 1hij h HIS 74 N 1.08 0.25 -0.54 0.41 2.76 -0.78 -0.56 115.15 117.77 1hij h HIS 74 Ca 0.33 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1hij h HIS 74 Cb -0.04 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1hij h HIS 74 CO -0.02 0.11 0.29 -0.09 -1.30 0.00 0.00 177.93 176.92 1hij h ARG 75 N 0.29 0.55 -0.55 5.26 2.43 -0.37 -0.98 114.38 121.02 1hij h ARG 75 Ca 0.16 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1hij h ARG 75 Cb 0.13 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1hij h ARG 75 CO -0.16 0.36 -0.07 1.25 -1.51 0.00 0.00 179.97 179.85 1hij h HIS 76 N 0.57 1.12 -0.95 2.20 2.76 -0.93 0.14 115.15 120.05 1hij h HIS 76 Ca 0.23 -0.22 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1hij h HIS 76 Cb 0.11 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 28.71 1hij h HIS 76 CO -0.09 1.03 0.59 -0.22 -1.30 0.00 0.00 177.93 177.94 1hij h LYS 77 N 0.89 0.94 -0.09 5.26 3.64 -0.69 -1.28 116.57 125.24 1hij h LYS 77 Ca 0.15 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 1hij h LYS 77 Cb 0.63 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1hij h LYS 77 CO 0.04 0.62 -0.76 -0.56 -2.27 0.00 0.00 179.45 176.52 1hij h GLN 78 N 0.97 0.50 -0.88 1.90 3.07 -0.76 -2.67 115.11 117.23 1hij h GLN 78 Ca 0.45 -0.41 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1hij h GLN 78 Cb 0.39 0.09 -0.04 0.00 0.08 0.00 0.00 27.48 27.99 1hij h GLN 78 CO -0.24 1.05 0.56 1.25 0.09 0.00 0.00 178.83 181.54 1hij h LEU 79 N 0.33 1.03 -0.23 0.06 7.12 0.36 -2.50 115.31 121.48 1hij h LEU 79 Ca -0.04 -0.04 -0.14 0.00 0.13 0.00 0.00 57.88 57.79 1hij h LEU 79 Cb 1.35 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 1hij h LEU 79 CO 0.14 0.77 -0.67 0.40 -0.13 0.00 0.00 178.44 178.95 1hij h ILE 80 N 1.20 1.22 -0.45 4.05 1.08 -1.28 -2.35 117.51 120.99 1hij h ILE 80 Ca 0.32 -2.52 -0.05 0.00 -0.39 0.00 0.00 64.86 62.22 1hij h ILE 80 Cb -0.10 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1hij h ILE 80 CO -0.07 0.65 0.09 -0.09 -0.69 0.00 0.00 178.15 178.05 1hij h ARG 81 N 0.00 0.74 -0.24 2.37 1.12 -1.15 -2.37 114.38 114.85 1hij h ARG 81 Ca -0.01 -0.19 -0.15 0.00 -1.11 0.00 0.00 59.98 58.53 1hij h ARG 81 Cb 1.41 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1hij h ARG 81 CO 0.09 0.75 -0.42 0.74 -3.11 0.00 0.00 179.97 178.01 1hij h PHE 82 N 0.61 0.88 -0.84 2.20 0.04 -1.36 -2.49 116.94 115.98 1hij h PHE 82 Ca 0.14 -0.31 0.08 0.00 2.80 0.00 0.00 57.97 60.68 1hij h PHE 82 Cb 0.35 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1hij h PHE 82 CO 0.02 1.09 0.50 -0.07 -0.60 0.00 0.00 178.31 179.25 1hij h LEU 83 N 0.43 0.74 -0.80 1.54 4.07 -1.35 0.30 115.31 120.23 1hij h LEU 83 Ca 0.01 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1hij h LEU 83 Cb 1.02 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 1hij h LEU 83 CO 0.10 0.44 0.33 0.11 -1.08 0.00 0.00 178.44 178.33 1hij h LYS 84 N 0.86 1.19 -0.02 1.13 1.57 -1.33 -0.63 116.57 119.34 1hij h LYS 84 Ca 0.39 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1hij h LYS 84 Cb 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1hij h LYS 84 CO -0.22 0.96 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.43 1hij h ARG 85 N 1.16 0.10 -1.00 3.15 9.65 -0.84 0.06 114.38 126.66 1hij h ARG 85 Ca 0.27 -0.08 0.10 0.00 -1.10 0.00 0.00 59.98 59.17 1hij h ARG 85 Cb 0.21 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.72 1hij h ARG 85 CO -0.02 0.74 0.64 1.25 2.80 0.00 0.00 179.97 185.37 1hij h LEU 86 N -0.52 0.97 -0.26 3.80 6.46 -0.42 -2.06 115.31 123.27 1hij h LEU 86 Ca -0.01 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 1hij h LEU 86 Cb 0.76 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1hij h LEU 86 CO 0.02 0.56 -0.52 -0.78 -0.62 0.00 0.00 178.44 177.09 1hij h ASP 87 N 1.06 0.91 -0.95 1.25 3.58 -1.10 -2.22 116.42 118.95 1hij h ASP 87 Ca 0.47 -0.54 0.10 0.00 0.42 0.00 0.00 57.03 57.48 1hij h ASP 87 Cb 0.37 -0.26 -0.08 0.00 1.72 0.00 0.00 39.33 41.08 1hij h ASP 87 CO -0.23 1.28 0.59 -0.61 -2.88 0.00 0.00 179.24 177.39 1hij h GLN 88 N 0.57 0.94 -0.07 0.28 4.15 -0.32 -1.77 115.11 118.87 1hij h GLN 88 Ca 0.01 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 1hij h GLN 88 Cb 1.13 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 28.62 1hij h GLN 88 CO 0.12 0.62 -0.62 -0.91 -1.93 0.00 0.00 178.83 176.11 1hij h ASN 89 N 0.96 0.68 -0.56 -0.69 2.35 -1.29 -3.04 115.58 113.99 1hij h ASN 89 Ca 0.46 -0.68 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1hij h ASN 89 Cb 0.40 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1hij h ASN 89 CO -0.25 1.25 0.31 -0.07 -1.65 0.00 0.00 177.43 177.03 1hij h LEU 90 N 0.15 0.47 -1.10 1.61 3.38 -1.05 -1.27 115.31 117.50 1hij h LEU 90 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1hij h LEU 90 Cb 1.28 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1hij h LEU 90 CO 0.13 0.32 0.43 -0.50 0.09 0.00 0.00 178.44 178.91 1hij h TRP 91 N 0.60 1.03 -0.34 1.13 -0.00 -1.39 0.16 115.95 117.15 1hij h TRP 91 Ca 0.24 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 59.06 1hij h TRP 91 Cb 0.10 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 28.92 1hij h TRP 91 CO -0.08 0.71 -0.02 0.78 -0.00 0.00 0.00 178.44 179.83 1hij h GLY 92 N 1.10 0.67 2.00 1.49 0.00 -1.25 0.22 103.07 107.29 1hij h GLY 92 Ca 0.27 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1hij h GLY 92 CO -0.05 0.47 -0.74 -2.00 0.00 0.00 0.00 176.54 174.22 1hij h LEU 93 N 0.42 0.00 -0.25 3.11 5.85 -1.07 -3.18 115.31 120.18 1hij h LEU 93 Ca 0.09 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 1hij h LEU 93 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1hij h LEU 93 CO 0.02 0.74 -0.79 0.00 -0.34 0.00 0.00 178.44 178.08 1hij h ALA 94 N 1.26 0.42 -6.88 1.25 0.00 -0.61 -3.47 119.26 111.24 1hij h ALA 94 Ca -0.01 -0.62 -0.58 0.00 0.00 0.00 0.00 54.91 53.71 1hij h ALA 94 Cb 1.33 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1hij h ALA 94 CO 0.10 0.73 -0.95 0.41 0.00 0.00 0.00 179.25 179.53 1hij n GLY 95 N 0.68 -0.27 3.15 0.00 0.00 0.76 -4.84 105.19 104.68 1hij n GLY 95 Ca -0.06 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1hij n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hij s LEU 96 N -7.25 -0.86 -0.18 0.99 0.20 -1.26 -5.07 118.68 105.25 1hij s LEU 96 Ca 0.08 0.47 0.16 0.00 0.69 0.00 0.00 54.13 55.53 1hij s LEU 96 Cb -0.04 1.69 0.75 0.00 -0.43 0.00 0.00 46.19 48.16 1hij s LEU 96 CO 0.96 -0.16 1.67 0.59 -0.29 0.00 0.00 176.35 179.12 1hij n ASN 97 N 5.43 5.16 -4.19 3.68 4.13 -1.26 -4.65 115.26 123.56 1hij n ASN 97 Ca -0.03 -2.73 -0.32 0.00 1.68 0.00 0.00 54.58 53.18 1hij n ASN 97 Cb 0.53 -0.62 -0.17 0.00 -1.54 0.00 0.00 39.78 37.98 1hij n ASN 97 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1hij s SER 98 N -0.95 3.06 -0.05 6.41 0.15 -1.26 -5.12 113.70 115.94 1hij s SER 98 Ca 0.52 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 1hij s SER 98 Cb 0.37 -1.41 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 1hij s SER 98 CO 0.19 0.12 0.10 0.00 1.20 0.00 0.00 173.24 174.84 1hij s PRO 100 N 1.96 3.91 -1.23 0.00 0.04 -1.26 -4.94 135.00 133.48 1hij s PRO 100 Ca 0.01 -2.20 -0.19 0.00 0.04 0.00 0.00 61.00 58.66 1hij s PRO 100 Cb -0.12 -5.09 0.07 0.00 0.04 0.00 0.00 34.50 29.39 1hij s PRO 100 CO -0.04 -1.85 1.67 0.08 0.04 0.00 0.00 177.00 176.90 1hij s VAL 101 N 2.38 4.08 -2.00 -0.36 1.01 -1.26 -4.80 120.40 119.45 1hij s VAL 101 Ca 0.41 -1.65 0.23 0.00 0.00 0.00 0.00 61.98 60.97 1hij s VAL 101 Cb -0.02 -5.16 0.65 0.00 0.00 0.00 0.00 36.38 31.84 1hij s VAL 101 CO -0.02 -2.00 1.76 0.29 0.00 0.00 0.00 175.10 175.12 1hij n LYS 102 N 8.49 0.80 -3.33 2.72 5.02 -1.26 -4.93 118.16 125.67 1hij n LYS 102 Ca 0.45 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.40 1hij n LYS 102 Cb 0.47 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1hij n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hij s GLU 103 N -2.00 3.94 -0.27 1.97 0.41 -1.26 -5.02 118.70 116.47 1hij s GLU 103 Ca 0.34 0.46 -0.14 0.00 -0.41 0.00 0.00 54.97 55.22 1hij s GLU 103 Cb 0.16 -2.77 -0.13 0.00 -1.78 0.00 0.00 34.13 29.60 1hij s GLU 103 CO 0.26 0.38 -0.29 0.00 -0.49 0.00 0.00 175.26 175.12 1hij n ALA 104 N 0.34 1.17 -1.73 5.21 0.00 -1.26 -4.91 120.51 119.32 1hij n ALA 104 Ca -0.02 -1.04 -0.39 0.00 0.00 0.00 0.00 53.44 51.99 1hij n ALA 104 Cb 0.52 0.05 0.04 0.00 0.00 0.00 0.00 19.45 20.06 1hij n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1hij n ASN 105 N -4.23 2.62 -4.21 0.00 5.15 -1.26 -4.89 115.26 108.44 1hij n ASN 105 Ca -0.52 0.99 -0.28 0.00 -0.60 0.00 0.00 54.58 54.16 1hij n ASN 105 Cb 0.87 -1.56 -0.16 0.00 -0.53 0.00 0.00 39.78 38.40 1hij n ASN 105 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1hij s GLN 106 N -2.78 2.04 0.21 1.20 -1.52 -1.26 -0.94 119.66 116.60 1hij s GLN 106 Ca 0.70 -0.76 0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1hij s GLN 106 Cb -0.43 -1.80 0.04 0.00 -0.22 0.00 0.00 33.01 30.60 1hij s GLN 106 CO 0.50 0.36 0.29 0.43 -0.25 0.00 0.00 175.29 176.62 1hij n SER 107 N 2.90 0.75 -4.92 5.90 7.64 -0.10 -4.79 113.62 121.00 1hij n SER 107 Ca -0.17 -1.55 -0.30 0.00 1.01 0.00 0.00 58.87 57.86 1hij n SER 107 Cb 0.52 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 1hij n SER 107 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hij s THR 108 N -0.30 5.28 0.21 0.44 -4.23 -1.26 -1.41 115.64 114.37 1hij s THR 108 Ca 0.22 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1hij s THR 108 Cb -0.02 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.38 1hij s THR 108 CO 0.14 0.02 1.65 0.25 -0.54 0.00 0.00 174.62 176.14 1hij h LEU 109 N 2.68 -0.40 -0.31 4.79 5.85 -1.48 -0.25 115.31 126.19 1hij h LEU 109 Ca -0.46 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1hij h LEU 109 Cb 1.17 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 1hij h LEU 109 CO 0.73 -0.16 0.16 -0.08 -0.34 0.00 0.00 178.44 178.74 1hij h GLU 110 N 0.07 0.32 0.00 1.25 4.81 -1.81 0.16 114.58 119.37 1hij h GLU 110 Ca 0.32 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1hij h GLU 110 Cb 0.51 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1hij h GLU 110 CO -0.58 0.21 -0.40 -0.91 -0.73 0.00 0.00 179.01 176.60 1hij h ASN 111 N 0.33 0.00 -0.05 1.04 4.21 -1.75 -2.19 115.58 117.17 1hij h ASN 111 Ca 0.13 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.42 1hij h ASN 111 Cb 0.05 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1hij h ASN 111 CO -0.09 0.40 -0.80 0.15 -1.29 0.00 0.00 177.43 175.79 1hij h PHE 112 N 0.00 0.97 -0.31 1.19 3.04 -0.22 -3.16 116.94 118.46 1hij h PHE 112 Ca -0.00 -0.44 -0.08 0.00 3.98 0.00 0.00 57.97 61.42 1hij h PHE 112 Cb 0.86 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1hij h PHE 112 CO 0.00 1.26 -0.15 -0.07 -2.02 0.00 0.00 178.31 177.33 1hij h LEU 113 N 0.48 0.54 0.13 0.59 3.38 -0.41 -1.54 115.31 118.47 1hij h LEU 113 Ca -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1hij h LEU 113 Cb 1.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1hij h LEU 113 CO 0.16 0.72 -0.06 -0.08 0.09 0.00 0.00 178.44 179.27 1hij h GLU 114 N 0.50 -0.16 -0.69 1.13 4.22 -1.46 0.03 114.58 118.15 1hij h GLU 114 Ca 0.09 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.54 1hij h GLU 114 Cb 0.56 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1hij h GLU 114 CO 0.04 -0.04 0.45 -0.09 -2.18 0.00 0.00 179.01 177.18 1hij h ARG 115 N -0.25 0.91 -0.44 1.92 9.65 -1.45 0.14 114.38 124.86 1hij h ARG 115 Ca -0.02 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.72 1hij h ARG 115 Cb 0.20 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1hij h ARG 115 CO 0.03 0.61 -0.05 1.25 2.80 0.00 0.00 179.97 184.61 1hij h LEU 116 N 0.93 0.79 -1.51 3.80 6.46 -1.11 -0.28 115.31 124.39 1hij h LEU 116 Ca 0.25 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1hij h LEU 116 Cb -0.10 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 1hij h LEU 116 CO -0.05 0.94 0.16 0.50 -0.62 0.00 0.00 178.44 179.37 1hij h LYS 117 N 0.63 0.49 0.22 1.25 3.64 0.48 0.26 116.57 123.54 1hij h LYS 117 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1hij h LYS 117 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1hij h LYS 117 CO 0.03 0.39 -0.10 1.15 -2.27 0.00 0.00 179.45 178.65 1hij h THR 118 N 0.50 0.48 -0.83 1.00 2.02 -0.47 -2.34 112.91 113.28 1hij h THR 118 Ca 0.13 -0.98 0.18 0.00 0.77 0.00 0.00 66.41 66.50 1hij h THR 118 Cb 0.07 0.83 -0.11 0.00 -1.74 0.00 0.00 68.15 67.19 1hij h THR 118 CO -0.02 0.13 0.34 0.40 0.37 0.00 0.00 175.52 176.74 1hij h ILE 119 N -0.98 0.57 -0.65 3.11 2.04 -0.79 -0.91 117.51 119.89 1hij h ILE 119 Ca -0.03 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1hij h ILE 119 Cb 0.44 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1hij h ILE 119 CO 0.05 0.08 0.28 0.24 0.00 0.00 0.00 178.15 178.80 1hij h MET 120 N 0.43 0.95 -0.08 2.37 2.86 -0.99 -0.17 114.93 120.30 1hij h MET 120 Ca 0.48 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.85 1hij h MET 120 Cb 0.82 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1hij h MET 120 CO -0.47 0.78 -0.47 0.00 1.06 0.00 0.00 176.91 177.82 1hij h ARG 121 N 0.91 0.19 -0.44 1.72 2.47 -0.66 -0.63 114.38 117.92 1hij h ARG 121 Ca 0.22 -0.10 -0.14 0.00 -1.26 0.00 0.00 59.98 58.70 1hij h ARG 121 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1hij h ARG 121 CO -0.02 0.62 -0.29 1.49 0.56 0.00 0.00 179.97 182.33 1hij h GLU 122 N 0.15 0.98 -0.08 0.04 4.57 -0.84 -0.46 114.58 118.94 1hij h GLU 122 Ca 0.01 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1hij h GLU 122 Cb 0.88 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1hij h GLU 122 CO 0.07 1.13 -0.11 -0.22 -1.18 0.00 0.00 179.01 178.70 1hij h LYS 123 N 0.82 0.13 -0.02 1.92 3.11 -0.67 -2.44 116.57 119.40 1hij h LYS 123 Ca 0.09 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.82 1hij h LYS 123 Cb 0.88 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1hij h LYS 123 CO 0.08 0.24 -0.31 -0.92 -2.81 0.00 0.00 179.45 175.73 1hij h TYR 124 N 0.12 0.35 -0.50 1.91 5.03 -0.73 -3.28 116.97 119.88 1hij h TYR 124 Ca 0.03 -0.18 0.10 0.00 2.58 0.00 0.00 58.73 61.26 1hij h TYR 124 Cb 0.28 -0.05 -0.10 0.00 1.55 0.00 0.00 36.73 38.41 1hij h TYR 124 CO 0.00 0.95 -0.19 1.03 -1.32 0.00 0.00 178.16 178.63 1hij h SER 125 N -0.34 -0.67 0.01 -2.11 0.87 -0.63 0.12 113.55 110.79 1hij h SER 125 Ca -0.03 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1hij h SER 125 Cb 1.02 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1hij h SER 125 CO 0.06 -0.22 0.00 0.29 -0.53 0.00 0.00 176.83 176.43 1hij n LYS 126 N -5.40 0.12 0.03 2.24 5.02 -1.00 -0.48 118.16 118.69 1hij n LYS 126 Ca 0.04 0.62 -0.03 0.00 -2.02 0.00 0.00 58.31 56.92 1hij n LYS 126 Cb 0.30 -1.89 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 1hij n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hij n SER 128 N -3.01 2.47 0.00 0.00 3.41 -0.21 -5.09 113.62 111.19 1hij n SER 128 Ca -0.10 0.01 0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1hij n SER 128 Cb 0.90 -0.09 0.61 0.00 -0.26 0.00 0.00 64.21 65.37 1hij n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34