#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e n ARG 2 N 0.00 0.00 0.00 0.03 1.74 -1.26 -5.15 116.66 112.02 3i9e n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9e n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i9e n ARG 2 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i9e n HIS 3 N 0.00 0.00 0.00 -1.55 8.25 -1.26 -4.42 115.22 116.24 3i9e n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9e n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i9e n HIS 3 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i9e n LEU 4 N 0.00 0.00 -4.81 2.41 7.99 -1.26 -4.67 117.00 116.67 3i9e n LEU 4 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 3i9e n LEU 4 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 3i9e n LEU 4 CO 0.00 0.00 0.71 -0.54 -1.51 0.00 0.00 177.39 176.05 3i9e s LYS 5 N -0.06 3.37 -0.07 3.23 1.02 -1.26 -5.05 119.74 120.92 3i9e s LYS 5 Ca 0.00 1.17 -0.03 0.00 0.02 0.00 0.00 55.97 57.13 3i9e s LYS 5 Cb 0.00 -2.04 0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3i9e s LYS 5 CO 0.00 -0.77 0.15 -1.12 -0.92 0.00 0.00 175.35 172.69 3i9e s SER 6 N -2.86 -0.09 0.00 2.83 0.01 -1.26 -5.08 113.70 107.25 3i9e s SER 6 Ca 0.63 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.19 3i9e s SER 6 Cb -0.15 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3i9e s SER 6 CO 0.37 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3i9e n GLY 7 N 4.23 1.84 3.49 3.44 0.00 -1.26 -5.11 105.19 111.82 3i9e n GLY 7 Ca -0.26 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 3i9e n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e n ARG 8 N 0.00 0.72 -3.86 1.61 1.74 -1.26 -4.96 116.66 110.66 3i9e n ARG 8 Ca 0.00 0.26 -0.36 0.00 -0.77 0.00 0.00 57.85 56.98 3i9e n ARG 8 Cb 0.00 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.80 3i9e n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i9e s LYS 9 N -1.46 3.74 -0.91 5.56 2.20 -1.26 -5.03 119.74 122.58 3i9e s LYS 9 Ca 0.62 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3i9e s LYS 9 Cb -0.70 -3.28 0.29 0.00 -1.51 0.00 0.00 37.83 32.63 3i9e s LYS 9 CO 0.58 -0.05 1.23 1.28 -0.36 0.00 0.00 175.35 178.03 3i9e n LEU 10 N 4.51 5.51 -3.22 5.43 4.77 -1.26 -4.78 117.00 127.96 3i9e n LEU 10 Ca -0.16 -5.32 -0.24 0.00 -0.03 0.00 0.00 56.01 50.26 3i9e n LEU 10 Cb 0.52 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 3i9e n LEU 10 CO 0.32 1.85 -0.09 0.59 -1.33 0.00 0.00 177.39 178.74 3i9e n ASN 11 N 1.05 -1.08 -3.96 -1.43 3.02 -1.26 -4.82 115.26 106.78 3i9e n ASN 11 Ca 0.28 -0.67 -0.09 0.00 -0.03 0.00 0.00 54.58 54.07 3i9e n ASN 11 Cb 0.36 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 3i9e n ASN 11 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3i9e s ARG 12 N -4.68 0.44 0.71 3.52 0.52 -1.26 -5.07 118.95 113.13 3i9e s ARG 12 Ca 0.47 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 3i9e s ARG 12 Cb -0.27 0.17 0.13 0.00 0.52 0.00 0.00 34.95 35.49 3i9e s ARG 12 CO 0.58 -0.09 0.97 -3.38 0.02 0.00 0.00 175.30 173.40 3i9e s HIS 13 N -2.00 1.26 0.00 -0.53 -3.43 -1.26 -4.68 115.29 104.65 3i9e s HIS 13 Ca -0.11 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 53.68 3i9e s HIS 13 Cb -0.05 -2.79 0.00 0.00 -1.43 0.00 0.00 32.58 28.31 3i9e s HIS 13 CO -0.02 -1.70 0.20 0.43 -2.00 0.00 0.00 174.74 171.64 3i9e n SER 14 N -2.75 0.00 -0.38 7.38 7.64 -1.26 -0.13 113.62 124.13 3i9e n SER 14 Ca 0.17 0.20 0.31 0.00 1.01 0.00 0.00 58.87 60.56 3i9e n SER 14 Cb 0.61 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.43 3i9e n SER 14 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3i9e h SER 15 N 0.00 0.27 0.03 6.43 4.64 -1.99 -0.33 113.55 122.60 3i9e h SER 15 Ca 0.00 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3i9e h SER 15 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3i9e h SER 15 CO 0.00 -0.02 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.19 3i9e h HIS 16 N 0.20 -0.04 -1.00 4.77 -0.00 -1.85 -1.07 115.15 116.16 3i9e h HIS 16 Ca 0.67 -0.00 0.40 0.00 -0.00 0.00 0.00 60.37 61.44 3i9e h HIS 16 Cb 2.11 0.01 -0.18 0.00 -0.00 0.00 0.00 27.41 29.35 3i9e h HIS 16 CO -0.00 -0.02 0.51 -0.09 -0.00 0.00 0.00 177.93 178.33 3i9e h ARG 17 N -0.07 0.03 0.38 5.26 2.43 -0.14 0.60 114.38 122.87 3i9e h ARG 17 Ca -0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3i9e h ARG 17 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3i9e h ARG 17 CO 0.01 0.02 -0.18 1.25 -1.51 0.00 0.00 179.97 179.56 3i9e h LEU 18 N 0.04 -0.44 -1.99 3.80 7.12 -1.12 -2.74 115.31 119.98 3i9e h LEU 18 Ca 0.82 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.85 3i9e h LEU 18 Cb 2.13 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 42.37 3i9e h LEU 18 CO -0.76 -0.13 0.32 0.00 -0.13 0.00 0.00 178.44 177.74 3i9e h ALA 19 N -1.39 1.32 0.41 1.25 0.00 0.18 -0.40 119.26 120.63 3i9e h ALA 19 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i9e h ALA 19 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i9e h ALA 19 CO 0.09 -0.32 -0.20 1.25 0.00 0.00 0.00 179.25 180.07 3i9e h LEU 20 N 0.00 -0.47 -0.66 0.00 5.85 0.28 -3.01 115.31 117.30 3i9e h LEU 20 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3i9e h LEU 20 Cb 0.64 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 3i9e h LEU 20 CO 0.00 -0.20 -0.21 1.88 -0.34 0.00 0.00 178.44 179.57 3i9e h TYR 21 N -0.82 -0.49 -0.11 1.25 0.99 -0.79 0.70 116.97 117.70 3i9e h TYR 21 Ca -0.06 0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.77 3i9e h TYR 21 Cb 0.42 0.32 -0.00 0.00 1.00 0.00 0.00 36.73 38.47 3i9e h TYR 21 CO 0.05 -0.32 0.27 0.00 -0.00 0.00 0.00 178.16 178.16 3i9e h ARG 22 N -0.04 0.00 0.00 4.88 3.08 -1.49 0.33 114.38 121.14 3i9e h ARG 22 Ca 0.31 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.09 3i9e h ARG 22 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3i9e h ARG 22 CO -0.70 0.00 -1.62 -0.91 -1.07 0.00 0.00 179.97 175.67 3i9e h ASN 23 N 0.00 0.00 -0.19 7.04 -0.26 0.52 -2.83 115.58 119.87 3i9e h ASN 23 Ca 0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 3i9e h ASN 23 Cb 0.59 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3i9e h ASN 23 CO -0.00 0.92 -0.12 1.56 -1.06 0.00 0.00 177.43 178.73 3i9e h GLN 24 N 0.00 0.41 0.04 0.81 1.08 0.20 -2.71 115.11 114.95 3i9e h GLN 24 Ca -0.25 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3i9e h GLN 24 Cb 1.92 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.34 3i9e h GLN 24 CO 0.07 0.73 -0.11 0.00 -0.95 0.00 0.00 178.83 178.58 3i9e h ALA 25 N 0.67 -0.69 -0.97 3.87 0.00 -0.60 0.85 119.26 122.39 3i9e h ALA 25 Ca 0.04 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.23 3i9e h ALA 25 Cb 0.62 0.49 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 3i9e h ALA 25 CO 0.03 -0.71 0.25 0.87 0.00 0.00 0.00 179.25 179.69 3i9e h LYS 26 N -0.17 0.06 0.24 0.00 1.57 -1.56 -0.36 116.57 116.36 3i9e h LYS 26 Ca -0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i9e h LYS 26 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3i9e h LYS 26 CO -0.05 0.04 -0.12 0.77 -0.57 0.00 0.00 179.45 179.53 3i9e h SER 27 N 0.07 -0.28 -1.18 0.86 0.02 -1.11 -3.24 113.55 108.69 3i9e h SER 27 Ca 0.67 0.01 0.39 0.00 -0.84 0.00 0.00 61.79 62.02 3i9e h SER 27 Cb 1.54 0.07 -0.14 0.00 0.14 0.00 0.00 62.40 64.01 3i9e h SER 27 CO -0.81 -0.18 0.73 0.25 -1.14 0.00 0.00 176.83 175.69 3i9e h LEU 28 N -0.37 0.33 -3.51 5.07 7.12 0.37 0.25 115.31 124.57 3i9e h LEU 28 Ca -0.03 0.16 -0.40 0.00 0.13 0.00 0.00 57.88 57.74 3i9e h LEU 28 Cb 0.25 0.14 -0.22 0.00 -0.53 0.00 0.00 40.66 40.30 3i9e h LEU 28 CO 0.06 -0.18 0.51 0.18 -0.13 0.00 0.00 178.44 178.87 3i9e n LEU 29 N -4.84 5.98 0.00 2.25 4.32 -0.26 -1.20 117.00 123.24 3i9e n LEU 29 Ca 0.35 -3.18 0.00 0.00 -0.02 0.00 0.00 56.01 53.16 3i9e n LEU 29 Cb 1.26 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3i9e n LEU 29 CO 0.16 0.98 0.00 0.41 -1.22 0.00 0.00 177.39 177.72 3i9e n THR 30 N -0.62 0.00 0.19 -5.08 -1.04 0.78 -4.81 114.28 103.70 3i9e n THR 30 Ca 0.44 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.47 3i9e n THR 30 Cb 1.22 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.73 3i9e n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3i9e n HIS 31 N -0.68 0.00 0.00 -1.42 8.25 -0.71 -5.00 115.22 115.66 3i9e n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9e n HIS 31 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i9e n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9e n GLY 32 N 0.61 0.25 2.77 -1.41 0.00 -0.35 -4.80 105.19 102.26 3i9e n GLY 32 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3i9e n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9e s ARG 33 N 0.00 -0.03 0.09 1.61 3.52 -1.25 -2.39 118.95 120.49 3i9e s ARG 33 Ca 0.00 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 3i9e s ARG 33 Cb 0.00 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 3i9e s ARG 33 CO 0.00 -0.20 -0.11 0.42 -0.81 0.00 0.00 175.30 174.60 3i9e s ILE 34 N 1.29 0.96 -0.15 4.11 -1.09 0.82 -4.93 121.20 122.21 3i9e s ILE 34 Ca -0.07 -1.50 0.02 0.00 -2.23 0.00 0.00 60.65 56.87 3i9e s ILE 34 Cb -0.13 -1.22 0.01 0.00 -1.58 0.00 0.00 42.46 39.54 3i9e s ILE 34 CO -0.03 -0.45 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.14 3i9e s THR 35 N -2.03 2.24 0.00 2.92 2.01 -1.26 0.17 115.64 119.69 3i9e s THR 35 Ca 0.02 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.11 3i9e s THR 35 Cb -0.05 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.54 3i9e s THR 35 CO 0.01 0.54 0.00 0.35 -0.69 0.00 0.00 174.62 174.83 3i9e n THR 36 N 4.14 0.00 -2.32 -0.82 -2.24 -0.99 -4.99 114.28 107.06 3i9e n THR 36 Ca -0.20 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 3i9e n THR 36 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3i9e n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i9e s THR 37 N -2.21 3.19 0.28 4.28 2.01 -1.26 -0.62 115.64 121.31 3i9e s THR 37 Ca 0.00 1.08 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 3i9e s THR 37 Cb 0.00 -3.64 0.36 0.00 0.01 0.00 0.00 72.50 69.23 3i9e s THR 37 CO 0.00 0.17 1.60 0.58 -0.69 0.00 0.00 174.62 176.28 3i9e h VAL 38 N 2.65 0.16 -0.11 3.82 2.07 -1.69 -1.72 116.25 121.44 3i9e h VAL 38 Ca -0.48 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3i9e h VAL 38 Cb 1.23 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3i9e h VAL 38 CO 0.64 0.01 -0.01 -0.65 0.02 0.00 0.00 177.57 177.58 3i9e h PRO 39 N 0.06 0.19 -0.09 1.57 0.11 -1.90 -1.54 132.00 130.40 3i9e h PRO 39 Ca 0.52 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.59 3i9e h PRO 39 Cb 1.01 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3i9e h PRO 39 CO -0.81 0.46 0.37 0.87 -0.21 0.00 0.00 178.00 178.68 3i9e h LYS 40 N -0.10 0.00 0.00 1.05 1.57 -1.69 -2.14 116.57 115.26 3i9e h LYS 40 Ca 0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3i9e h LYS 40 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i9e h LYS 40 CO 0.01 0.00 -1.09 0.00 -0.57 0.00 0.00 179.45 177.80 3i9e n ALA 41 N -1.98 0.70 0.17 3.86 0.00 -1.06 -3.39 120.51 118.82 3i9e n ALA 41 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.95 3i9e n ALA 41 Cb 0.45 -0.30 0.14 0.00 0.00 0.00 0.00 19.45 19.73 3i9e n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i9e h LYS 42 N -1.00 0.00 0.01 0.00 1.57 -0.60 0.85 116.57 117.40 3i9e h LYS 42 Ca -0.25 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.12 3i9e h LYS 42 Cb 1.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 3i9e h LYS 42 CO -0.15 0.00 -2.41 -1.91 -0.57 0.00 0.00 179.45 174.41 3i9e n GLU 43 N -1.87 0.62 -0.42 3.15 4.07 -1.14 -4.46 120.64 120.59 3i9e n GLU 43 Ca -0.00 0.24 0.34 0.00 -0.06 0.00 0.00 57.16 57.67 3i9e n GLU 43 Cb 0.60 -1.53 0.62 0.00 -0.06 0.00 0.00 31.44 31.07 3i9e n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i9e h LEU 44 N -0.56 0.28 0.00 4.31 6.46 0.73 -3.04 115.31 123.48 3i9e h LEU 44 Ca -0.62 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 3i9e h LEU 44 Cb 1.73 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 3i9e h LEU 44 CO -0.26 -0.11 0.00 0.54 -0.62 0.00 0.00 178.44 178.00 3i9e n ARG 45 N -4.64 0.00 -0.38 1.25 1.74 -1.12 -1.65 116.66 111.86 3i9e n ARG 45 Ca 0.34 0.45 0.29 0.00 -0.77 0.00 0.00 57.85 58.16 3i9e n ARG 45 Cb 1.30 -1.04 0.57 0.00 -1.02 0.00 0.00 32.46 32.28 3i9e n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3i9e h GLY 46 N 0.00 1.30 1.07 -0.13 0.00 -1.83 0.21 103.07 103.68 3i9e h GLY 46 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3i9e h GLY 46 CO 0.00 -0.28 0.10 -2.75 0.00 0.00 0.00 176.54 173.62 3i9e h PHE 47 N 0.25 1.17 0.03 5.60 3.57 -1.53 -2.48 116.94 123.55 3i9e h PHE 47 Ca 0.70 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 3i9e h PHE 47 Cb 2.00 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.42 3i9e h PHE 47 CO -0.00 0.98 -0.02 0.28 -2.23 0.00 0.00 178.31 177.32 3i9e h VAL 48 N 1.02 1.09 -0.92 1.41 2.07 0.02 -3.08 116.25 117.85 3i9e h VAL 48 Ca 0.20 -1.69 0.17 0.00 0.82 0.00 0.00 66.70 66.20 3i9e h VAL 48 Cb 0.44 2.01 -0.16 0.00 -1.52 0.00 0.00 31.29 32.06 3i9e h VAL 48 CO 0.01 0.35 -0.30 0.44 0.02 0.00 0.00 177.57 178.09 3i9e h ASP 49 N -0.96 -1.11 -0.27 0.57 5.19 -0.75 0.97 116.42 120.06 3i9e h ASP 49 Ca -0.00 0.29 0.06 0.00 -0.62 0.00 0.00 57.03 56.75 3i9e h ASP 49 Cb 0.61 0.65 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 3i9e h ASP 49 CO 0.01 -0.30 -0.13 -0.74 -3.12 0.00 0.00 179.24 174.96 3i9e h HIS 50 N -0.02 -0.31 -0.85 4.55 2.76 -1.54 0.83 115.15 120.57 3i9e h HIS 50 Ca 0.39 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.72 3i9e h HIS 50 Cb 0.64 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.69 3i9e h HIS 50 CO -0.77 -0.19 0.45 -0.07 -1.30 0.00 0.00 177.93 176.04 3i9e h LEU 51 N -0.09 0.57 -0.02 0.26 -0.00 0.86 0.15 115.31 117.04 3i9e h LEU 51 Ca 0.14 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 3i9e h LEU 51 Cb 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 3i9e h LEU 51 CO -0.33 0.26 -0.03 0.40 -0.00 0.00 0.00 178.44 178.74 3i9e h ILE 52 N 0.67 1.45 -0.75 1.22 2.04 0.17 -2.97 117.51 119.33 3i9e h ILE 52 Ca 0.45 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3i9e h ILE 52 Cb 0.59 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3i9e h ILE 52 CO -0.34 0.36 0.50 -0.74 0.00 0.00 0.00 178.15 177.93 3i9e h HIS 53 N -0.50 0.87 0.00 1.37 2.76 0.10 0.74 115.15 120.49 3i9e h HIS 53 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3i9e h HIS 53 Cb 0.61 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.28 3i9e h HIS 53 CO 0.12 0.49 0.00 1.25 -1.30 0.00 0.00 177.93 178.50 3i9e h LEU 54 N 0.89 0.00 0.25 0.26 5.85 -0.72 -2.59 115.31 119.25 3i9e h LEU 54 Ca 0.31 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.69 3i9e h LEU 54 Cb 0.10 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.17 3i9e h LEU 54 CO -0.09 0.00 -1.51 0.00 -0.34 0.00 0.00 178.44 176.50 3i9e h ALA 55 N 2.05 -0.12 0.33 1.25 0.00 0.64 -2.95 119.26 120.45 3i9e h ALA 55 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 3i9e h ALA 55 Cb 0.25 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i9e h ALA 55 CO 0.00 0.73 -0.22 0.87 0.00 0.00 0.00 179.25 180.63 3i9e h LYS 56 N 0.13 -0.50 -0.10 0.00 1.57 -0.99 0.15 116.57 116.83 3i9e h LYS 56 Ca -0.27 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3i9e h LYS 56 Cb 2.16 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 34.58 3i9e h LYS 56 CO 0.26 -0.33 0.64 -0.09 -0.57 0.00 0.00 179.45 179.36 3i9e h ARG 57 N -0.52 0.00 0.00 3.15 1.12 -1.70 -3.44 114.38 112.99 3i9e h ARG 57 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3i9e h ARG 57 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 3i9e h ARG 57 CO 0.03 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.30 3i9e n GLY 58 N -1.37 0.00 0.00 2.80 0.00 0.52 -4.95 105.19 102.19 3i9e n GLY 58 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i9e n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i9e n ASP 59 N 0.00 0.00 -0.09 1.61 5.68 -1.26 -4.97 116.55 117.52 3i9e n ASP 59 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 3i9e n ASP 59 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 3i9e n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3i9e n LEU 60 N 0.00 1.84 -0.25 -2.12 7.94 -1.26 -3.16 117.00 120.00 3i9e n LEU 60 Ca 0.00 0.52 0.17 0.00 -1.11 0.00 0.00 56.01 55.59 3i9e n LEU 60 Cb 0.00 -0.90 0.47 0.00 0.53 0.00 0.00 43.42 43.51 3i9e n LEU 60 CO 0.00 -0.10 1.22 -0.74 -1.11 0.00 0.00 177.39 176.66 3i9e h HIS 61 N -1.00 0.63 -0.22 1.96 2.76 -1.99 0.18 115.15 117.47 3i9e h HIS 61 Ca -0.18 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.85 3i9e h HIS 61 Cb 0.92 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3i9e h HIS 61 CO -0.09 0.19 -0.48 0.00 -1.30 0.00 0.00 177.93 176.25 3i9e h ALA 62 N 1.61 0.35 -0.80 5.26 0.00 -1.87 -1.56 119.26 122.27 3i9e h ALA 62 Ca 0.46 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3i9e h ALA 62 Cb 1.01 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3i9e h ALA 62 CO -0.19 0.52 0.42 -0.09 0.00 0.00 0.00 179.25 179.90 3i9e h ARG 63 N 0.43 0.64 0.20 0.00 2.43 -0.65 -2.19 114.38 115.23 3i9e h ARG 63 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3i9e h ARG 63 Cb 1.09 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3i9e h ARG 63 CO 0.11 0.43 -0.10 0.00 -1.51 0.00 0.00 179.97 178.90 3i9e h ARG 64 N 0.66 -0.26 -0.42 0.20 3.08 -1.09 -1.07 114.38 115.49 3i9e h ARG 64 Ca 0.41 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.60 3i9e h ARG 64 Cb 0.47 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3i9e h ARG 64 CO -0.30 0.09 0.57 -0.07 -1.07 0.00 0.00 179.97 179.19 3i9e h LEU 65 N -0.95 0.00 0.17 3.04 4.07 -1.25 0.64 115.31 121.03 3i9e h LEU 65 Ca -0.03 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.58 3i9e h LEU 65 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 3i9e h LEU 65 CO 0.04 0.00 -1.80 0.58 -1.08 0.00 0.00 178.44 176.19 3i9e h VAL 66 N 0.00 0.88 -1.00 1.22 2.07 -1.40 -3.32 116.25 114.69 3i9e h VAL 66 Ca 0.20 -2.49 0.05 0.00 0.82 0.00 0.00 66.70 65.28 3i9e h VAL 66 Cb 1.34 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 33.75 3i9e h VAL 66 CO -0.00 0.87 0.65 0.25 0.02 0.00 0.00 177.57 179.36 3i9e h LEU 67 N 0.10 1.07 -1.66 2.57 5.85 0.16 -1.32 115.31 122.07 3i9e h LEU 67 Ca -0.36 -0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.64 3i9e h LEU 67 Cb 2.08 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.84 3i9e h LEU 67 CO 0.16 0.71 0.91 0.03 -0.34 0.00 0.00 178.44 179.91 3i9e h ARG 68 N 1.22 0.00 0.00 1.25 3.08 -1.13 1.11 114.38 119.91 3i9e h ARG 68 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3i9e h ARG 68 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3i9e h ARG 68 CO -0.15 0.00 -1.29 -0.25 -1.07 0.00 0.00 179.97 177.21 3i9e n ASP 69 N -3.66 0.75 -0.00 7.04 10.43 -0.51 -4.57 116.55 126.03 3i9e n ASP 69 Ca 0.21 -0.57 0.01 0.00 2.57 0.00 0.00 54.79 57.02 3i9e n ASP 69 Cb 1.23 1.36 -0.03 0.00 1.84 0.00 0.00 41.12 45.52 3i9e n ASP 69 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3i9e n LEU 70 N -1.74 0.00 0.00 0.64 4.77 0.78 -4.76 117.00 116.70 3i9e n LEU 70 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i9e n LEU 70 Cb 0.38 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i9e n LEU 70 CO 0.39 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 3i9e n GLN 71 N -1.68 0.00 -3.08 3.23 3.00 0.35 -4.85 117.38 114.35 3i9e n GLN 71 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 3i9e n GLN 71 Cb 0.15 -2.78 -0.06 0.00 0.00 0.00 0.00 30.24 27.54 3i9e n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i9e s ASP 72 N -0.64 6.38 0.13 1.08 3.68 -1.26 -4.98 116.67 121.06 3i9e s ASP 72 Ca 0.00 -0.13 -0.29 0.00 2.13 0.00 0.00 52.55 54.26 3i9e s ASP 72 Cb 0.00 -2.33 -0.06 0.00 -1.45 0.00 0.00 42.92 39.08 3i9e s ASP 72 CO 0.00 -0.75 1.59 0.58 0.13 0.00 0.00 175.17 176.72 3i9e h VAL 73 N 5.83 0.18 -3.52 1.11 2.07 -1.97 -2.87 116.25 117.08 3i9e h VAL 73 Ca -0.26 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 66.81 3i9e h VAL 73 Cb 1.10 0.18 0.20 0.00 -1.52 0.00 0.00 31.29 31.24 3i9e h VAL 73 CO 0.89 0.00 0.08 -0.54 0.02 0.00 0.00 177.57 178.01 3i9e s LYS 74 N -5.92 -0.39 0.00 1.57 1.02 -1.26 -0.30 119.74 114.47 3i9e s LYS 74 Ca -0.16 0.86 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3i9e s LYS 74 Cb 0.09 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 3i9e s LYS 74 CO 0.64 -3.38 0.00 -0.11 -0.92 0.00 0.00 175.35 171.59 3i9e n LEU 75 N -4.67 0.00 0.23 3.17 -0.00 -1.26 -3.87 117.00 110.59 3i9e n LEU 75 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.11 3i9e n LEU 75 Cb 0.55 0.00 0.53 0.00 -0.00 0.00 0.00 43.42 44.49 3i9e n LEU 75 CO 0.56 0.00 0.91 1.62 -0.00 0.00 0.00 177.39 180.49 3i9e h VAL 76 N 0.00 1.08 0.16 1.96 3.04 -1.18 0.78 116.25 122.09 3i9e h VAL 76 Ca 0.00 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 3i9e h VAL 76 Cb 0.00 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3i9e h VAL 76 CO 0.00 0.17 -0.08 -0.09 -1.01 0.00 0.00 177.57 176.56 3i9e h ARG 77 N 0.00 -0.20 0.00 4.17 2.43 -0.76 -3.06 114.38 116.95 3i9e h ARG 77 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i9e h ARG 77 Cb 0.31 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3i9e h ARG 77 CO 0.02 -0.14 0.37 -0.22 -1.51 0.00 0.00 179.97 178.50 3i9e h LYS 78 N -1.06 0.00 0.17 0.20 3.64 -1.64 -0.28 116.57 117.60 3i9e h LYS 78 Ca -0.02 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.03 3i9e h LYS 78 Cb 0.16 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3i9e h LYS 78 CO 0.04 0.00 -1.66 1.25 -2.27 0.00 0.00 179.45 176.81 3i9e h LEU 79 N 0.00 0.55 -0.56 5.20 6.46 0.50 -2.91 115.31 124.55 3i9e h LEU 79 Ca 0.00 -0.92 -0.15 0.00 -0.12 0.00 0.00 57.88 56.69 3i9e h LEU 79 Cb 0.75 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 3i9e h LEU 79 CO 0.00 1.74 -0.72 -0.26 -0.62 0.00 0.00 178.44 178.58 3i9e h PHE 80 N -0.01 0.02 0.00 1.25 0.05 -0.98 0.20 116.94 117.46 3i9e h PHE 80 Ca -0.33 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.45 3i9e h PHE 80 Cb 2.00 -0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.95 3i9e h PHE 80 CO 0.11 0.73 -1.12 -0.25 -0.18 0.00 0.00 178.31 177.60 3i9e n ASP 81 N -3.69 0.82 0.00 2.17 10.43 -0.61 -4.46 116.55 121.22 3i9e n ASP 81 Ca -0.01 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.55 3i9e n ASP 81 Cb 0.70 1.10 0.00 0.00 1.84 0.00 0.00 41.12 44.76 3i9e n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3i9e n GLU 82 N -1.62 5.02 -0.12 -1.24 1.02 -1.11 -4.82 120.64 117.77 3i9e n GLU 82 Ca 0.03 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 3i9e n GLU 82 Cb 0.37 -0.51 -0.08 0.00 -0.02 0.00 0.00 31.44 31.20 3i9e n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i9e n ILE 83 N -0.15 1.51 -0.17 -3.67 2.08 -1.00 -4.44 119.36 113.52 3i9e n ILE 83 Ca 0.00 -0.15 -0.05 0.00 0.56 0.00 0.00 62.75 63.11 3i9e n ILE 83 Cb 0.00 -2.07 0.01 0.00 -0.75 0.00 0.00 39.64 36.83 3i9e n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9e h ALA 84 N -0.92 0.01 -1.64 -1.39 0.00 -0.83 -2.96 119.26 111.53 3i9e h ALA 84 Ca -0.41 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i9e h ALA 84 Cb 1.32 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3i9e h ALA 84 CO -0.25 -0.64 0.00 -2.30 0.00 0.00 0.00 179.25 176.06 3i9e n PRO 85 N -5.43 0.00 0.09 0.00 -0.02 -1.26 -1.35 135.00 127.03 3i9e n PRO 85 Ca 0.04 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3i9e n PRO 85 Cb 0.34 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3i9e n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i9e n ARG 86 N -1.88 0.01 0.00 -0.52 1.74 -1.12 0.14 116.66 115.03 3i9e n ARG 86 Ca 0.00 0.25 0.01 0.00 -0.77 0.00 0.00 57.85 57.33 3i9e n ARG 86 Cb 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3i9e n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i9e n TYR 87 N -1.02 0.00 -0.23 -1.55 4.01 -0.46 -4.77 117.16 113.13 3i9e n TYR 87 Ca 0.00 0.00 0.32 0.00 -0.16 0.00 0.00 57.90 58.06 3i9e n TYR 87 Cb 0.38 0.00 0.68 0.00 -0.31 0.00 0.00 39.34 40.09 3i9e n TYR 87 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3i9e h ARG 88 N 0.22 0.00 -0.38 -0.72 1.12 0.13 0.57 114.38 115.32 3i9e h ARG 88 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.74 3i9e h ARG 88 Cb 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 29.94 3i9e h ARG 88 CO 0.00 0.00 0.03 -0.25 -3.11 0.00 0.00 179.97 176.64 3i9e n ASP 89 N -3.79 3.31 -3.98 -3.80 8.00 -1.26 -4.90 116.55 110.12 3i9e n ASP 89 Ca 0.22 -3.40 -0.29 0.00 0.71 0.00 0.00 54.79 52.03 3i9e n ASP 89 Cb 1.25 -0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 41.56 3i9e n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i9e s ARG 90 N -3.06 2.03 -0.38 -1.24 3.52 0.20 -5.10 118.95 114.93 3i9e s ARG 90 Ca 0.45 -0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 55.51 3i9e s ARG 90 Cb 0.39 -1.91 0.05 0.00 -1.56 0.00 0.00 34.95 31.91 3i9e s ARG 90 CO 0.05 -0.23 0.19 1.14 -0.81 0.00 0.00 175.30 175.64 3i9e s GLN 91 N 1.52 2.68 0.00 5.12 0.00 -1.26 -4.96 119.66 122.76 3i9e s GLN 91 Ca 0.04 -1.23 0.00 0.00 -0.00 0.00 0.00 55.36 54.17 3i9e s GLN 91 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 33.01 29.22 3i9e s GLN 91 CO -0.09 -0.77 0.00 0.41 0.00 0.00 0.00 175.29 174.84 3i9e n GLY 92 N 4.91 1.22 4.01 2.60 0.00 -1.26 -5.01 105.19 111.65 3i9e n GLY 92 Ca -0.11 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3i9e n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 93 N 1.26 -0.92 0.21 -0.02 0.00 -1.26 -4.79 105.19 99.66 3i9e n GLY 93 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 46.02 46.44 3i9e n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i9e n TYR 94 N -4.37 0.14 -3.93 1.61 0.53 -1.26 -4.77 117.16 105.11 3i9e n TYR 94 Ca -0.16 -0.07 -0.12 0.00 -1.02 0.00 0.00 57.90 56.53 3i9e n TYR 94 Cb 0.57 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.75 3i9e n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3i9e s THR 95 N -1.86 0.09 0.18 -0.72 -1.32 -1.26 -2.79 115.64 107.95 3i9e s THR 95 Ca 0.11 -0.19 0.10 0.00 -1.21 0.00 0.00 61.69 60.50 3i9e s THR 95 Cb 0.06 -0.11 -0.04 0.00 -1.51 0.00 0.00 72.50 70.89 3i9e s THR 95 CO 0.08 -0.06 -0.15 -0.60 -2.21 0.00 0.00 174.62 171.67 3i9e s ARG 96 N -0.26 1.84 -0.14 7.08 3.52 0.36 -4.75 118.95 126.59 3i9e s ARG 96 Ca -0.02 -1.36 -0.04 0.00 -0.13 0.00 0.00 55.73 54.18 3i9e s ARG 96 Cb -0.02 -2.04 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 3i9e s ARG 96 CO -0.00 0.42 0.07 0.08 -0.81 0.00 0.00 175.30 175.06 3i9e s VAL 97 N -1.67 0.03 -0.19 7.11 1.01 -1.26 -2.84 120.40 122.59 3i9e s VAL 97 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3i9e s VAL 97 Cb -0.09 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.78 3i9e s VAL 97 CO 0.13 -0.13 -0.16 -0.76 0.00 0.00 0.00 175.10 174.19 3i9e s LEU 98 N 2.09 2.26 0.44 3.92 1.43 -0.56 -4.92 118.68 123.33 3i9e s LEU 98 Ca 0.02 -0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 3i9e s LEU 98 Cb -0.15 -1.38 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 3i9e s LEU 98 CO -0.07 -0.07 1.38 -0.54 0.23 0.00 0.00 176.35 177.28 3i9e s LYS 99 N 1.32 3.78 0.28 1.70 1.02 -1.26 0.20 119.74 126.78 3i9e s LYS 99 Ca 0.02 2.32 0.02 0.00 0.02 0.00 0.00 55.97 58.35 3i9e s LYS 99 Cb -0.15 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3i9e s LYS 99 CO -0.11 -0.70 0.44 -0.51 -0.92 0.00 0.00 175.35 173.56 3i9e s LEU 100 N -2.63 4.18 0.00 3.17 2.01 0.08 -4.83 118.68 120.67 3i9e s LEU 100 Ca 0.60 0.29 0.20 0.00 0.01 0.00 0.00 54.13 55.23 3i9e s LEU 100 Cb -0.41 -3.10 0.58 0.00 0.01 0.00 0.00 46.19 43.26 3i9e s LEU 100 CO 0.53 -0.16 1.48 0.00 1.01 0.00 0.00 176.35 179.22 3i9e n ALA 101 N -1.42 2.40 -2.54 4.21 0.00 -1.26 -4.57 120.51 117.32 3i9e n ALA 101 Ca -0.06 -1.15 -0.24 0.00 0.00 0.00 0.00 53.44 51.99 3i9e n ALA 101 Cb 0.56 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 3i9e n ALA 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i9e s GLU 102 N -1.13 1.17 -0.11 0.00 2.02 -1.26 -5.09 118.70 114.30 3i9e s GLU 102 Ca 0.44 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 3i9e s GLU 102 Cb 0.23 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 3i9e s GLU 102 CO 0.30 0.32 -0.07 1.03 0.02 0.00 0.00 175.26 176.86 3i9e s ARG 103 N -1.61 3.16 0.03 1.61 0.52 -1.26 -3.87 118.95 117.54 3i9e s ARG 103 Ca 0.06 -0.56 -0.38 0.00 -0.52 0.00 0.00 55.73 54.32 3i9e s ARG 103 Cb -0.09 -2.70 -0.19 0.00 0.52 0.00 0.00 34.95 32.48 3i9e s ARG 103 CO 0.03 0.45 1.11 -2.13 0.02 0.00 0.00 175.30 174.78 3i9e n ARG 104 N 2.88 0.30 -1.91 3.54 3.00 -1.03 -4.71 116.66 118.72 3i9e n ARG 104 Ca -0.18 0.11 -0.29 0.00 -0.00 0.00 0.00 57.85 57.49 3i9e n ARG 104 Cb 0.53 -1.62 0.07 0.00 0.00 0.00 0.00 32.46 31.44 3i9e n ARG 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3i9e s ARG 105 N 0.05 2.40 -1.52 -0.14 1.70 -1.26 0.13 118.95 120.32 3i9e s ARG 105 Ca 0.88 0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 56.23 3i9e s ARG 105 Cb -1.17 -2.00 0.14 0.00 -0.57 0.00 0.00 34.95 31.36 3i9e s ARG 105 CO 0.54 -1.31 0.62 0.41 -1.08 0.00 0.00 175.30 174.49 3i9e n GLY 106 N -3.15 -0.45 0.93 3.88 0.00 -1.26 -4.15 105.19 101.00 3i9e n GLY 106 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i9e n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i9e n ASP 107 N -2.44 -0.69 -0.19 1.61 4.64 -1.25 -5.07 116.55 113.16 3i9e n ASP 107 Ca 0.06 0.24 -0.02 0.00 -1.38 0.00 0.00 54.79 53.69 3i9e n ASP 107 Cb 0.49 0.87 -0.00 0.00 -1.04 0.00 0.00 41.12 41.44 3i9e n ASP 107 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i9e n GLY 108 N -1.22 0.34 3.68 0.27 0.00 0.35 -5.02 105.19 103.59 3i9e n GLY 108 Ca 0.00 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 3i9e n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9e s ALA 109 N -2.09 3.45 0.06 4.61 0.00 -1.22 -4.73 121.76 121.84 3i9e s ALA 109 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.02 3i9e s ALA 109 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3i9e s ALA 109 CO 0.00 -0.68 1.63 -1.25 0.00 0.00 0.00 175.76 175.46 3i9e s PRO 110 N 2.19 4.20 0.34 0.00 0.04 -1.26 -2.48 135.00 138.04 3i9e s PRO 110 Ca 0.48 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.89 3i9e s PRO 110 Cb -0.18 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 3i9e s PRO 110 CO 0.17 -0.72 0.48 -0.51 0.04 0.00 0.00 177.00 176.46 3i9e s LEU 111 N 2.64 3.95 0.30 -3.56 1.43 -1.25 -2.27 118.68 119.91 3i9e s LEU 111 Ca 0.73 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.59 3i9e s LEU 111 Cb -0.39 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.06 3i9e s LEU 111 CO 0.32 -0.46 0.45 0.00 0.23 0.00 0.00 176.35 176.89 3i9e s ALA 112 N -2.20 0.43 0.10 4.21 0.00 0.21 -0.74 121.76 123.78 3i9e s ALA 112 Ca 0.46 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3i9e s ALA 112 Cb -0.10 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 3i9e s ALA 112 CO 0.31 -0.80 -0.20 -1.17 0.00 0.00 0.00 175.76 173.91 3i9e s LEU 113 N -3.15 2.31 -0.13 0.00 2.96 0.13 -2.35 118.68 118.45 3i9e s LEU 113 Ca 0.28 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3i9e s LEU 113 Cb 0.00 -0.82 0.06 0.00 0.50 0.00 0.00 46.19 45.92 3i9e s LEU 113 CO 0.16 0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.65 3i9e s VAL 114 N -1.26 -0.17 0.09 1.68 1.01 0.13 -1.49 120.40 120.39 3i9e s VAL 114 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3i9e s VAL 114 Cb -0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3i9e s VAL 114 CO 0.04 -0.07 -0.11 -1.83 0.00 0.00 0.00 175.10 173.13 3i9e s GLU 115 N 2.21 0.83 -0.23 2.72 -1.05 -1.13 -0.13 118.70 121.92 3i9e s GLU 115 Ca 0.04 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.46 3i9e s GLU 115 Cb -0.14 -0.58 -0.00 0.00 -0.44 0.00 0.00 34.13 32.97 3i9e s GLU 115 CO -0.08 0.10 1.20 -0.51 0.95 0.00 0.00 175.26 176.93 3i9e s LEU 116 N -2.28 4.06 0.95 1.83 1.43 -1.01 -0.49 118.68 123.18 3i9e s LEU 116 Ca 0.03 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 3i9e s LEU 116 Cb -0.04 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.77 3i9e s LEU 116 CO 0.01 -0.83 0.21 0.55 0.23 0.00 0.00 176.35 176.51 3i9e n VAL 117 N 5.62 0.00 -0.59 -1.59 3.14 -1.12 -4.87 118.33 118.91 3i9e n VAL 117 Ca 0.13 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3i9e n VAL 117 Cb 0.46 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 3i9e n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58