#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4y n VAL 3 N 0.00 0.82 -3.77 -3.33 0.24 -1.26 -4.67 118.33 106.35 3h4y n VAL 3 Ca 0.00 -0.83 -0.29 0.00 -2.04 0.00 0.00 64.34 61.18 3h4y n VAL 3 Cb 0.00 0.57 0.02 0.00 -1.47 0.00 0.00 33.84 32.96 3h4y n VAL 3 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3h4y n ASN 4 N -0.43 -4.58 -0.05 -1.34 5.15 -1.26 -0.70 115.26 112.05 3h4y n ASN 4 Ca 0.01 -0.69 -0.01 0.00 -0.60 0.00 0.00 54.58 53.29 3h4y n ASN 4 Cb 0.32 -3.69 -0.00 0.00 -0.53 0.00 0.00 39.78 35.88 3h4y n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h4y n GLY 5 N -1.55 0.40 3.17 8.20 0.00 -1.26 -4.95 105.19 109.20 3h4y n GLY 5 Ca 0.03 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3h4y n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h4y s ILE 6 N -1.75 4.26 0.31 -0.61 1.01 0.12 -4.95 121.20 119.59 3h4y s ILE 6 Ca 0.00 -2.63 0.01 0.00 0.00 0.00 0.00 60.65 58.03 3h4y s ILE 6 Cb 0.00 -3.74 0.28 0.00 0.01 0.00 0.00 42.46 39.01 3h4y s ILE 6 CO 0.00 -0.89 1.94 -0.33 0.00 0.00 0.00 174.94 175.66 3h4y h GLU 7 N 7.47 0.97 0.00 2.79 4.39 -1.94 -1.57 114.58 126.69 3h4y h GLU 7 Ca -0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3h4y h GLU 7 Cb 1.00 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3h4y h GLU 7 CO 0.75 0.64 0.00 1.33 -1.16 0.00 0.00 179.01 180.57 3h4y n VAL 8 N -4.46 1.16 0.19 3.13 0.24 -1.26 -2.08 118.33 115.26 3h4y n VAL 8 Ca 0.12 0.45 0.04 0.00 -2.04 0.00 0.00 64.34 62.90 3h4y n VAL 8 Cb 0.15 -1.38 0.39 0.00 -1.47 0.00 0.00 33.84 31.52 3h4y n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h4y h ALA 9 N 2.17 1.24 0.01 2.33 0.00 -1.64 -3.33 119.26 120.04 3h4y h ALA 9 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3h4y h ALA 9 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3h4y h ALA 9 CO 0.00 0.45 -0.24 0.87 0.00 0.00 0.00 179.25 180.33 3h4y h LYS 10 N 0.00 -0.37 -0.11 0.00 1.57 -1.58 -0.15 116.57 115.93 3h4y h LYS 10 Ca -0.00 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3h4y h LYS 10 Cb 0.71 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3h4y h LYS 10 CO 0.05 -0.25 -0.06 -1.00 -0.57 0.00 0.00 179.45 177.63 3h4y h PRO 11 N -0.38 0.16 -0.34 3.15 0.13 -1.78 -1.26 132.00 131.67 3h4y h PRO 11 Ca 0.06 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 3h4y h PRO 11 Cb 0.46 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 3h4y h PRO 11 CO -0.21 0.23 -0.38 0.74 -0.23 0.00 0.00 178.00 178.16 3h4y h PHE 12 N 0.16 1.03 -0.19 1.56 0.04 -1.56 -0.75 116.94 117.23 3h4y h PHE 12 Ca 0.04 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 3h4y h PHE 12 Cb 0.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3h4y h PHE 12 CO 0.00 1.12 -0.01 0.82 -0.60 0.00 0.00 178.31 179.65 3h4y h ILE 13 N 0.64 1.26 -0.33 -0.55 2.04 -0.71 -0.60 117.51 119.26 3h4y h ILE 13 Ca 0.05 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3h4y h ILE 13 Cb 0.97 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3h4y h ILE 13 CO 0.09 0.27 0.19 0.00 0.00 0.00 0.00 178.15 178.70 3h4y h ALA 14 N 0.77 0.41 -0.31 1.87 0.00 -1.26 -1.33 119.26 119.42 3h4y h ALA 14 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h4y h ALA 14 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3h4y h ALA 14 CO 0.01 -0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.29 3h4y h ALA 15 N 1.15 0.39 -0.30 0.00 0.00 -1.10 -0.52 119.26 118.88 3h4y h ALA 15 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h4y h ALA 15 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h4y h ALA 15 CO -0.06 -0.13 0.17 1.15 0.00 0.00 0.00 179.25 180.38 3h4y h THR 16 N 0.41 1.12 -0.39 0.00 2.02 -0.90 0.36 112.91 115.54 3h4y h THR 16 Ca 0.11 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 3h4y h THR 16 Cb -0.03 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3h4y h THR 16 CO -0.02 0.12 0.02 0.58 0.37 0.00 0.00 175.52 176.59 3h4y h VAL 17 N 0.37 1.25 -0.45 3.16 2.07 -1.17 -1.63 116.25 119.86 3h4y h VAL 17 Ca 0.11 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3h4y h VAL 17 Cb 0.05 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3h4y h VAL 17 CO -0.02 0.33 0.21 0.78 0.02 0.00 0.00 177.57 178.89 3h4y h ASN 18 N 0.51 0.59 -0.04 0.57 2.35 -0.86 -0.87 115.58 117.83 3h4y h ASN 18 Ca 0.11 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3h4y h ASN 18 Cb 0.44 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3h4y h ASN 18 CO 0.02 0.55 -0.06 0.58 -1.65 0.00 0.00 177.43 176.87 3h4y h VAL 19 N 0.58 1.41 -0.71 2.81 2.07 -0.86 -0.92 116.25 120.64 3h4y h VAL 19 Ca 0.15 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3h4y h VAL 19 Cb 0.12 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3h4y h VAL 19 CO -0.02 0.35 0.29 -0.07 0.02 0.00 0.00 177.57 178.14 3h4y h LEU 20 N -0.39 0.97 -0.19 2.57 4.07 -1.30 -3.05 115.31 117.99 3h4y h LEU 20 Ca 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 3h4y h LEU 20 Cb 0.60 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3h4y h LEU 20 CO 0.01 0.88 0.08 0.28 -1.08 0.00 0.00 178.44 178.60 3h4y h SER 21 N 1.01 0.27 0.00 -0.43 0.02 -0.06 -1.08 113.55 113.28 3h4y h SER 21 Ca 0.24 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3h4y h SER 21 Cb 0.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3h4y h SER 21 CO -0.02 0.36 0.00 0.41 -1.14 0.00 0.00 176.83 176.44 3h4y n THR 22 N -4.83 0.00 0.00 -2.27 -1.04 -0.35 -1.86 114.28 103.93 3h4y n THR 22 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3h4y n THR 22 Cb 0.13 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3h4y n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h4y n ALA 24 N -0.22 0.00 -2.10 2.41 0.00 -0.45 -5.05 120.51 115.10 3h4y n ALA 24 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3h4y n ALA 24 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 3h4y n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4y n GLY 25 N -0.20 0.15 3.35 0.00 0.00 -0.78 -4.50 105.19 103.22 3h4y n GLY 25 Ca 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3h4y n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h4y s ILE 26 N -2.71 3.04 -0.55 -0.61 1.01 -0.96 -4.94 121.20 115.47 3h4y s ILE 26 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 3h4y s ILE 26 Cb 0.00 -2.29 0.14 0.00 0.01 0.00 0.00 42.46 40.32 3h4y s ILE 26 CO 0.00 0.52 0.47 -1.10 0.00 0.00 0.00 174.94 174.83 3h4y s GLN 27 N 0.49 2.87 0.34 2.79 -1.52 -1.26 -1.52 119.66 121.86 3h4y s GLN 27 Ca -0.09 -1.84 -0.25 0.00 -1.95 0.00 0.00 55.36 51.23 3h4y s GLN 27 Cb -0.16 -4.17 -0.10 0.00 -0.22 0.00 0.00 33.01 28.36 3h4y s GLN 27 CO 0.04 -1.28 0.95 -1.25 -0.25 0.00 0.00 175.29 173.51 3h4y s PRO 28 N 1.31 4.51 -0.31 2.91 0.04 -1.26 -4.88 135.00 137.32 3h4y s PRO 28 Ca 0.06 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.33 3h4y s PRO 28 Cb -0.26 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 3h4y s PRO 28 CO 0.00 0.21 0.14 -1.14 0.04 0.00 0.00 177.00 176.26 3h4y s GLN 29 N -2.23 3.27 0.44 4.56 2.00 -0.20 -4.86 119.66 122.64 3h4y s GLN 29 Ca 0.52 -0.76 -0.24 0.00 -2.00 0.00 0.00 55.36 52.88 3h4y s GLN 29 Cb -0.18 -3.54 -0.08 0.00 0.80 0.00 0.00 33.01 30.02 3h4y s GLN 29 CO 0.23 -0.43 1.17 -1.25 -0.50 0.00 0.00 175.29 174.50 3h4y s PRO 30 N 1.59 3.86 0.00 1.67 0.04 -1.26 -1.04 135.00 139.86 3h4y s PRO 30 Ca 0.04 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.89 3h4y s PRO 30 Cb -0.17 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3h4y s PRO 30 CO 0.06 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3h4y n GLY 31 N 0.51 1.31 3.64 0.56 0.00 0.82 -4.92 105.19 107.11 3h4y n GLY 31 Ca 0.06 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3h4y n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h4y s LYS 32 N 2.31 4.18 0.53 1.61 2.20 -1.26 -4.78 119.74 124.53 3h4y s LYS 32 Ca 0.00 0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 56.32 3h4y s LYS 32 Cb 0.00 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3h4y s LYS 32 CO 0.00 -0.50 1.19 -2.14 -0.36 0.00 0.00 175.35 173.54 3h4y s PRO 33 N 2.80 3.35 0.15 4.03 0.02 -1.26 -4.60 135.00 139.49 3h4y s PRO 33 Ca 0.34 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 3h4y s PRO 33 Cb -0.15 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.24 3h4y s PRO 33 CO 0.07 -0.90 0.37 1.52 -0.33 0.00 0.00 177.00 177.74 3h4y s TYR 34 N -1.59 0.03 -0.02 6.54 1.13 -0.80 -4.67 117.35 117.96 3h4y s TYR 34 Ca 0.71 -0.38 0.07 0.00 -1.41 0.00 0.00 57.07 56.06 3h4y s TYR 34 Cb -0.29 0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 3h4y s TYR 34 CO 0.34 -0.74 -0.24 0.14 -2.51 0.00 0.00 175.55 172.53 3h4y s VAL 35 N -3.87 1.90 -0.16 -3.49 -7.23 -1.26 -1.04 120.40 105.23 3h4y s VAL 35 Ca 0.09 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 59.11 3h4y s VAL 35 Cb 0.02 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.44 3h4y s VAL 35 CO -0.06 0.54 0.42 -0.75 -0.31 0.00 0.00 175.10 174.93 3h4y s LYS 36 N -0.57 0.44 0.28 4.82 2.20 -0.33 -4.89 119.74 121.70 3h4y s LYS 36 Ca 0.09 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 3h4y s LYS 36 Cb -0.09 0.10 -0.11 0.00 -1.51 0.00 0.00 37.83 36.22 3h4y s LYS 36 CO -0.01 -0.11 1.58 0.21 -0.36 0.00 0.00 175.35 176.66 3h4y s LYS 37 N 0.85 4.14 -1.43 4.03 2.47 -1.26 -1.51 119.74 127.03 3h4y s LYS 37 Ca -0.05 2.54 -0.02 0.00 -1.56 0.00 0.00 55.97 56.88 3h4y s LYS 37 Cb -0.06 -3.04 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 3h4y s LYS 37 CO -0.07 -0.61 0.16 0.09 0.16 0.00 0.00 175.35 175.08 3h4y n ASN 38 N 2.32 -5.01 -4.73 1.43 3.02 -1.26 -4.92 115.26 106.11 3h4y n ASN 38 Ca 0.08 -0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3h4y n ASN 38 Cb 0.38 -4.17 0.01 0.00 -0.61 0.00 0.00 39.78 35.39 3h4y n ASN 38 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3h4y n ASN 39 N -2.06 2.92 -4.21 6.41 5.15 -1.04 -5.00 115.26 117.43 3h4y n ASN 39 Ca -0.16 1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 54.66 3h4y n ASN 39 Cb 0.63 -1.54 -0.16 0.00 -0.53 0.00 0.00 39.78 38.18 3h4y n ASN 39 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3h4y s VAL 40 N -1.18 1.78 -0.11 3.44 1.01 -1.26 -4.44 120.40 119.63 3h4y s VAL 40 Ca 0.60 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3h4y s VAL 40 Cb -0.49 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3h4y s VAL 40 CO 0.59 0.50 0.03 0.00 0.00 0.00 0.00 175.10 176.21 3h4y s ALA 41 N -0.14 3.36 -0.06 5.51 0.00 -0.79 -4.96 121.76 124.68 3h4y s ALA 41 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3h4y s ALA 41 Cb -0.12 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3h4y s ALA 41 CO 0.02 0.51 -0.18 0.21 0.00 0.00 0.00 175.76 176.32 3h4y s LYS 42 N -0.63 2.06 0.00 0.00 2.20 -1.26 -0.50 119.74 121.60 3h4y s LYS 42 Ca 0.11 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3h4y s LYS 42 Cb -0.12 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 3h4y s LYS 42 CO 0.02 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.63 3h4y n GLY 43 N 3.32 1.34 0.05 5.54 0.00 -0.61 -4.91 105.19 109.91 3h4y n GLY 43 Ca -0.19 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 3h4y n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h4y n ASP 44 N -0.09 2.95 -3.75 1.61 8.00 -0.06 -1.32 116.55 123.89 3h4y n ASP 44 Ca 0.00 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 3h4y n ASP 44 Cb 0.00 0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 41.42 3h4y n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h4y s VAL 45 N -2.21 -0.07 0.22 2.53 0.11 -0.92 -2.56 120.40 117.50 3h4y s VAL 45 Ca -0.07 0.25 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3h4y s VAL 45 Cb 0.03 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.73 3h4y s VAL 45 CO 0.33 0.10 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.73 3h4y s SER 46 N 1.27 1.90 0.03 3.54 0.01 -0.21 -0.22 113.70 120.01 3h4y s SER 46 Ca -0.07 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.04 3h4y s SER 46 Cb -0.13 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 3h4y s SER 46 CO -0.03 -0.46 -0.09 0.00 0.41 0.00 0.00 173.24 173.06 3h4y s ALA 47 N -3.37 0.74 -0.02 1.44 0.00 0.11 -0.30 121.76 120.37 3h4y s ALA 47 Ca 0.26 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.60 3h4y s ALA 47 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3h4y s ALA 47 CO 0.07 0.09 -0.15 0.14 0.00 0.00 0.00 175.76 175.91 3h4y s VAL 48 N -0.92 1.23 -0.04 0.00 -7.23 -0.14 -1.54 120.40 111.76 3h4y s VAL 48 Ca -0.03 -0.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3h4y s VAL 48 Cb -0.07 -1.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.83 3h4y s VAL 48 CO 0.01 0.35 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.36 3h4y s ILE 49 N -0.20 1.31 0.04 -0.62 1.01 0.18 -1.05 121.20 121.87 3h4y s ILE 49 Ca 0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 3h4y s ILE 49 Cb -0.08 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 3h4y s ILE 49 CO 0.00 0.38 0.51 -0.83 0.00 0.00 0.00 174.94 175.01 3h4y s GLY 50 N 0.10 2.60 0.06 6.18 0.00 -1.26 -0.70 107.32 114.30 3h4y s GLY 50 Ca -0.04 -0.06 0.09 0.00 0.00 0.00 0.00 44.72 44.72 3h4y s GLY 50 CO 0.02 0.37 -0.26 -0.26 0.00 0.00 0.00 173.10 172.97 3h4y s ILE 51 N -1.03 2.11 0.11 0.90 -4.36 -0.18 -0.92 121.20 117.83 3h4y s ILE 51 Ca 0.27 -1.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 3h4y s ILE 51 Cb -0.18 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3h4y s ILE 51 CO 0.17 0.28 -0.01 0.42 0.24 0.00 0.00 174.94 176.03 3h4y s THR 52 N -0.87 0.45 -5.00 8.37 -4.23 -0.42 -0.94 115.64 113.00 3h4y s THR 52 Ca 0.12 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3h4y s THR 52 Cb -0.10 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3h4y s THR 52 CO 0.03 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 3h4y n GLY 53 N -0.07 -0.14 0.36 3.99 0.00 -1.26 -0.87 105.19 107.19 3h4y n GLY 53 Ca -0.10 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 44.97 3h4y n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3h4y h HIS 54 N 0.00 0.81 -3.62 1.61 -0.00 -1.98 -3.40 115.15 108.58 3h4y h HIS 54 Ca 0.00 0.02 -0.67 0.00 -0.00 0.00 0.00 60.37 59.72 3h4y h HIS 54 Cb 0.00 -0.27 -0.18 0.00 -0.00 0.00 0.00 27.41 26.97 3h4y h HIS 54 CO 0.00 0.42 -0.78 0.15 -0.00 0.00 0.00 177.93 177.72 3h4y s LYS 55 N -5.71 1.87 0.03 5.26 -0.14 -1.26 -5.05 119.74 114.74 3h4y s LYS 55 Ca -0.10 -1.16 0.04 0.00 -1.36 0.00 0.00 55.97 53.39 3h4y s LYS 55 Cb 0.20 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 34.18 3h4y s LYS 55 CO 0.78 0.48 -0.13 -0.80 -0.76 0.00 0.00 175.35 174.92 3h4y s ASN 56 N -2.23 1.51 0.00 2.83 0.01 -0.42 -4.38 114.94 112.26 3h4y s ASN 56 Ca 0.19 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3h4y s ASN 56 Cb -0.10 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.45 3h4y s ASN 56 CO 0.11 0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3h4y n GLY 57 N 2.06 1.29 3.14 0.66 0.00 -0.12 -1.09 105.19 111.13 3h4y n GLY 57 Ca -0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3h4y n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h4y s SER 58 N 2.00 0.17 -0.03 1.61 0.01 -0.76 -1.01 113.70 115.68 3h4y s SER 58 Ca 0.00 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.74 3h4y s SER 58 Cb 0.00 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.48 3h4y s SER 58 CO 0.00 -0.56 -0.15 -0.63 0.41 0.00 0.00 173.24 172.31 3h4y s ILE 59 N -2.92 1.25 0.05 1.44 1.01 0.12 -1.65 121.20 120.50 3h4y s ILE 59 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 3h4y s ILE 59 Cb 0.01 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3h4y s ILE 59 CO -0.06 0.36 0.05 -0.94 0.00 0.00 0.00 174.94 174.36 3h4y s SER 60 N -0.00 0.30 -0.05 3.58 1.04 -0.55 -0.65 113.70 117.38 3h4y s SER 60 Ca -0.02 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3h4y s SER 60 Cb -0.10 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3h4y s SER 60 CO 0.01 -0.58 -0.04 -0.69 0.98 0.00 0.00 173.24 172.92 3h4y s VAL 61 N -3.38 0.51 -0.13 5.02 1.01 -0.59 -0.74 120.40 122.11 3h4y s VAL 61 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3h4y s VAL 61 Cb 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3h4y s VAL 61 CO -0.08 0.23 -0.13 -0.89 0.00 0.00 0.00 175.10 174.23 3h4y s THR 62 N 1.06 1.42 0.04 3.92 2.01 -0.25 -0.71 115.64 123.12 3h4y s THR 62 Ca -0.09 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.40 3h4y s THR 62 Cb -0.14 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 3h4y s THR 62 CO -0.01 0.43 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.91 3h4y s PHE 63 N 1.37 2.82 0.62 4.92 0.40 0.69 -0.48 117.98 128.31 3h4y s PHE 63 Ca 0.01 -0.09 -0.16 0.00 -0.60 0.00 0.00 56.93 56.09 3h4y s PHE 63 Cb -0.13 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 3h4y s PHE 63 CO -0.07 0.38 1.10 0.95 0.70 0.00 0.00 175.22 178.28 3h4y s THR 64 N -1.06 3.34 0.19 0.64 -4.23 -0.69 -0.88 115.64 112.94 3h4y s THR 64 Ca 0.18 0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 61.25 3h4y s THR 64 Cb -0.11 -3.20 0.10 0.00 1.34 0.00 0.00 72.50 70.62 3h4y s THR 64 CO 0.09 -0.33 1.76 0.50 -0.54 0.00 0.00 174.62 176.10 3h4y h LYS 65 N 0.41 0.41 -0.32 3.99 3.64 -1.92 -0.89 116.57 121.89 3h4y h LYS 65 Ca -0.48 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 3h4y h LYS 65 Cb 1.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3h4y h LYS 65 CO 0.55 0.27 -0.07 0.66 -2.27 0.00 0.00 179.45 178.60 3h4y h SER 66 N 0.43 0.50 -0.37 4.20 4.64 -1.93 -0.37 113.55 120.65 3h4y h SER 66 Ca 0.25 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3h4y h SER 66 Cb 0.23 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3h4y h SER 66 CO -0.22 0.62 -0.06 0.00 -0.87 0.00 0.00 176.83 176.30 3h4y h ALA 68 N 0.84 0.65 -0.55 0.00 0.00 -0.75 -0.96 119.26 118.49 3h4y h ALA 68 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3h4y h ALA 68 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3h4y h ALA 68 CO 0.03 0.53 0.35 0.82 0.00 0.00 0.00 179.25 180.98 3h4y h ILE 69 N 0.74 1.11 -0.35 0.00 2.04 -1.03 -0.68 117.51 119.35 3h4y h ILE 69 Ca 0.12 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3h4y h ILE 69 Cb 0.63 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3h4y h ILE 69 CO 0.04 0.13 -0.20 0.00 0.00 0.00 0.00 178.15 178.12 3h4y h ALA 70 N 1.21 0.99 -0.14 1.87 0.00 -1.27 -1.42 119.26 120.50 3h4y h ALA 70 Ca 0.21 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h4y h ALA 70 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3h4y h ALA 70 CO -0.06 0.60 0.03 1.25 0.00 0.00 0.00 179.25 181.06 3h4y h LEU 71 N 0.60 0.00 -0.62 0.00 5.85 -0.73 -0.25 115.31 120.17 3h4y h LEU 71 Ca 0.09 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3h4y h LEU 71 Cb 0.67 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3h4y h LEU 71 CO 0.05 0.02 0.11 0.58 -0.34 0.00 0.00 178.44 178.86 3h4y h VAL 72 N 0.08 1.26 -0.67 1.05 2.07 -0.87 -2.34 116.25 116.83 3h4y h VAL 72 Ca 0.06 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3h4y h VAL 72 Cb 0.06 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3h4y h VAL 72 CO -0.09 0.37 0.43 0.11 0.02 0.00 0.00 177.57 178.42 3h4y h LYS 73 N 0.93 0.90 -0.39 1.57 1.57 -1.15 -0.25 116.57 119.75 3h4y h LYS 73 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3h4y h LYS 73 Cb 0.42 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3h4y h LYS 73 CO 0.01 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 3h4y n GLY 74 N -1.25 0.23 0.00 3.86 0.00 -0.11 -0.71 105.19 107.22 3h4y n GLY 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3h4y n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h4y n LEU 76 N 0.50 0.00 0.00 0.99 4.77 -0.10 -4.56 117.00 118.59 3h4y n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3h4y n LEU 76 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3h4y n LEU 76 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3h4y n GLY 77 N -0.34 -3.22 0.49 -0.72 0.00 0.12 -4.56 105.19 96.95 3h4y n GLY 77 Ca 0.00 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.21 3h4y n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h4y n ASP 78 N -0.11 1.52 -4.06 1.61 9.92 -1.26 -4.31 116.55 119.86 3h4y n ASP 78 Ca 0.00 -1.54 -0.43 0.00 -0.53 0.00 0.00 54.79 52.29 3h4y n ASP 78 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 3h4y n ASP 78 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3h4y n ASP 79 N 0.19 5.18 -3.82 -2.24 9.92 -1.26 -4.92 116.55 119.61 3h4y n ASP 79 Ca 0.18 -3.08 -0.24 0.00 -0.53 0.00 0.00 54.79 51.12 3h4y n ASP 79 Cb 0.35 -1.50 -0.17 0.00 -0.64 0.00 0.00 41.12 39.16 3h4y n ASP 79 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3h4y s ILE 80 N 0.62 0.59 -0.23 0.53 -4.36 -1.26 -5.03 121.20 112.04 3h4y s ILE 80 Ca 0.40 -0.01 0.03 0.00 -0.26 0.00 0.00 60.65 60.81 3h4y s ILE 80 Cb 0.05 -0.70 -0.16 0.00 1.25 0.00 0.00 42.46 42.91 3h4y s ILE 80 CO 0.01 0.29 -0.20 0.00 0.24 0.00 0.00 174.94 175.29 3h4y n GLN 81 N 5.07 0.61 -2.98 0.37 3.00 -1.26 -4.71 117.38 117.47 3h4y n GLN 81 Ca -0.09 0.13 -0.44 0.00 -0.01 0.00 0.00 57.00 56.59 3h4y n GLN 81 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.27 3h4y n GLN 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3h4y n ASP 82 N -3.16 5.80 -0.14 1.08 -0.08 -1.26 -4.85 116.55 113.93 3h4y n ASP 82 Ca -0.41 -3.20 0.07 0.00 -1.51 0.00 0.00 54.79 49.74 3h4y n ASP 82 Cb 0.95 -1.37 0.39 0.00 2.34 0.00 0.00 41.12 43.43 3h4y n ASP 82 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3h4y h ILE 83 N 3.69 1.00 0.47 5.18 6.09 -1.98 -0.14 117.51 131.82 3h4y h ILE 83 Ca 0.24 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 3h4y h ILE 83 Cb 0.72 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.31 3h4y h ILE 83 CO 1.28 0.12 -0.22 0.25 -3.07 0.00 0.00 178.15 176.51 3h4y h LEU 84 N 0.66 -0.53 -0.78 2.19 5.85 -1.99 0.59 115.31 121.29 3h4y h LEU 84 Ca 0.29 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 3h4y h LEU 84 Cb 0.29 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3h4y h LEU 84 CO -0.09 -0.21 -0.32 -0.61 -0.34 0.00 0.00 178.44 176.87 3h4y h GLN 85 N -0.87 0.55 -0.80 1.25 5.75 -1.95 -2.37 115.11 116.66 3h4y h GLN 85 Ca -0.06 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.15 3h4y h GLN 85 Cb 0.58 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3h4y h GLN 85 CO 0.11 0.81 0.33 -0.44 -2.65 0.00 0.00 178.83 176.98 3h4y h ASP 86 N 0.47 1.10 -0.53 -0.69 3.32 -1.00 0.50 116.42 119.59 3h4y h ASP 86 Ca 0.06 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3h4y h ASP 86 Cb 0.79 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3h4y h ASP 86 CO 0.06 0.97 0.13 0.74 -1.72 0.00 0.00 179.24 179.42 3h4y h THR 87 N 1.17 1.24 0.30 0.35 2.02 -0.68 -0.22 112.91 117.09 3h4y h THR 87 Ca 0.27 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3h4y h THR 87 Cb 0.21 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3h4y h THR 87 CO -0.02 0.32 -0.14 0.11 0.37 0.00 0.00 175.52 176.15 3h4y h LYS 88 N 0.75 -0.39 -0.64 6.66 1.57 -1.06 -0.74 116.57 122.72 3h4y h LYS 88 Ca 0.17 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3h4y h LYS 88 Cb 0.34 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3h4y h LYS 88 CO 0.00 -0.26 0.14 -0.44 -0.57 0.00 0.00 179.45 178.32 3h4y h ASP 89 N -0.40 0.98 0.19 0.86 3.32 -0.86 0.26 116.42 120.77 3h4y h ASP 89 Ca -0.04 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3h4y h ASP 89 Cb 0.31 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3h4y h ASP 89 CO 0.07 0.97 -0.09 0.00 -1.72 0.00 0.00 179.24 178.47 3h4y h ALA 90 N 1.05 -0.26 -0.65 3.45 0.00 -0.98 0.85 119.26 122.72 3h4y h ALA 90 Ca 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h4y h ALA 90 Cb 0.39 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3h4y h ALA 90 CO 0.01 -0.56 0.43 0.28 0.00 0.00 0.00 179.25 179.41 3h4y h VAL 91 N -0.44 1.16 -0.35 0.00 2.07 -1.09 0.43 116.25 118.03 3h4y h VAL 91 Ca -0.03 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3h4y h VAL 91 Cb 0.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3h4y h VAL 91 CO 0.04 0.16 0.21 1.23 0.02 0.00 0.00 177.57 179.24 3h4y h GLY 92 N 0.87 0.49 0.89 2.17 0.00 -0.83 -1.59 103.07 105.08 3h4y h GLY 92 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3h4y h GLY 92 CO -0.05 0.15 0.09 0.83 0.00 0.00 0.00 176.54 177.55 3h4y h GLU 93 N 0.43 0.40 -0.61 4.80 5.08 -0.47 0.92 114.58 125.14 3h4y h GLU 93 Ca 0.14 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3h4y h GLU 93 Cb -0.01 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3h4y h GLU 93 CO -0.06 0.46 0.36 0.28 -1.00 0.00 0.00 179.01 179.05 3h4y h VAL 94 N 0.25 1.04 -0.45 3.13 2.07 -0.86 -2.92 116.25 118.52 3h4y h VAL 94 Ca 0.08 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3h4y h VAL 94 Cb 0.22 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3h4y h VAL 94 CO -0.00 0.13 0.07 0.74 0.02 0.00 0.00 177.57 178.52 3h4y h THR 95 N 0.70 1.25 0.00 2.57 2.02 -1.07 -0.57 112.91 117.80 3h4y h THR 95 Ca 0.25 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3h4y h THR 95 Cb 0.06 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3h4y h THR 95 CO -0.12 0.32 0.00 -3.20 0.37 0.00 0.00 175.52 172.89 3h4y n ASN 96 N -4.46 0.00 0.00 4.18 2.85 0.30 -0.87 115.26 117.26 3h4y n ASN 96 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3h4y n ASN 96 Cb 0.25 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.27 3h4y n ASN 96 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3h4y n ILE 98 N 0.47 0.00 -0.12 -1.44 5.41 -0.22 -0.96 119.36 122.50 3h4y n ILE 98 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 3h4y n ILE 98 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 3h4y n ILE 98 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3h4y h SER 99 N 0.00 0.36 0.04 4.38 0.87 -1.25 0.14 113.55 118.08 3h4y h SER 99 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3h4y h SER 99 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3h4y h SER 99 CO 0.00 0.26 -0.02 1.23 -0.53 0.00 0.00 176.83 177.77 3h4y h GLY 100 N 0.46 -0.06 1.12 5.77 0.00 -1.30 -0.20 103.07 108.86 3h4y h GLY 100 Ca 0.15 0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.32 3h4y h GLY 100 CO -0.07 -0.02 -0.54 1.46 0.00 0.00 0.00 176.54 177.37 3h4y h GLN 101 N -0.08 0.85 -0.62 4.80 4.20 -1.82 -1.78 115.11 120.66 3h4y h GLN 101 Ca -0.01 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 3h4y h GLN 101 Cb 0.07 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3h4y h GLN 101 CO 0.01 1.18 0.30 0.00 -0.67 0.00 0.00 178.83 179.65 3h4y h ALA 102 N 0.66 0.80 -0.23 3.87 0.00 -0.67 -1.61 119.26 122.07 3h4y h ALA 102 Ca 0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3h4y h ALA 102 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h4y h ALA 102 CO 0.12 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 3h4y h ARG 103 N 0.85 0.41 -0.52 0.00 3.08 -1.00 0.19 114.38 117.38 3h4y h ARG 103 Ca 0.21 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3h4y h ARG 103 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3h4y h ARG 103 CO -0.03 0.57 0.29 0.00 -1.07 0.00 0.00 179.97 179.73 3h4y h ALA 104 N 1.45 0.66 -0.36 0.04 0.00 -0.96 -0.14 119.26 119.94 3h4y h ALA 104 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h4y h ALA 104 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h4y h ALA 104 CO 0.03 0.18 0.04 0.78 0.00 0.00 0.00 179.25 180.28 3h4y h GLY 105 N 0.69 0.66 0.94 0.00 0.00 -0.68 -2.66 103.07 102.02 3h4y h GLY 105 Ca 0.18 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.08 3h4y h GLY 105 CO -0.03 0.42 0.66 1.41 0.00 0.00 0.00 176.54 179.00 3h4y h LEU 106 N 0.45 1.13 -1.01 3.11 3.38 -0.49 -2.49 115.31 119.38 3h4y h LEU 106 Ca 0.11 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3h4y h LEU 106 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h4y h LEU 106 CO 0.01 0.79 0.01 0.00 0.09 0.00 0.00 178.44 179.34 3h4y h ALA 107 N 1.39 1.19 0.00 1.53 0.00 -0.91 -2.23 119.26 120.23 3h4y h ALA 107 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h4y h ALA 107 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3h4y h ALA 107 CO -0.10 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.07 3h4y n GLU 108 N -4.24 0.17 -3.27 0.00 1.02 -0.94 -4.77 120.64 108.62 3h4y n GLU 108 Ca 0.02 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 3h4y n GLU 108 Cb 0.28 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3h4y n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h4y n GLY 110 N 1.47 4.12 3.26 0.62 0.00 -0.84 -5.12 105.19 108.70 3h4y n GLY 110 Ca 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 46.02 43.79 3h4y n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h4y s VAL 112 N -2.24 -0.22 -0.01 1.61 1.01 -1.26 -5.18 120.40 114.11 3h4y s VAL 112 Ca 0.39 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.43 3h4y s VAL 112 Cb 0.19 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3h4y s VAL 112 CO -0.07 0.00 -0.19 -0.36 0.00 0.00 0.00 175.10 174.49 3h4y s PHE 113 N 2.22 1.68 0.25 5.22 0.08 -1.26 -4.40 117.98 121.76 3h4y s PHE 113 Ca -0.01 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.65 3h4y s PHE 113 Cb -0.03 -1.08 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 3h4y s PHE 113 CO -0.17 -0.03 0.54 -0.65 -0.10 0.00 0.00 175.22 174.82 3h4y s GLN 114 N -0.43 3.72 0.07 0.44 1.11 -0.05 -4.90 119.66 119.62 3h4y s GLN 114 Ca 0.07 0.15 0.08 0.00 0.01 0.00 0.00 55.36 55.67 3h4y s GLN 114 Cb -0.07 -2.66 -0.03 0.00 -1.01 0.00 0.00 33.01 29.24 3h4y s GLN 114 CO -0.01 0.28 -0.22 0.20 0.01 0.00 0.00 175.29 175.55 3h4y s GLY 115 N -2.68 1.25 0.87 3.09 0.00 -1.26 -1.30 107.32 107.28 3h4y s GLY 115 Ca 0.46 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.88 3h4y s GLY 115 CO 0.25 -1.14 1.20 -1.35 0.00 0.00 0.00 173.10 172.06 3h4y s SER 116 N -1.50 3.69 0.65 1.64 1.04 -0.10 -5.02 113.70 114.11 3h4y s SER 116 Ca 0.08 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 3h4y s SER 116 Cb -0.09 -0.40 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3h4y s SER 116 CO 0.03 -2.34 1.05 0.42 0.98 0.00 0.00 173.24 173.37 3h4y s THR 117 N -3.62 4.21 0.49 2.02 -4.23 -1.26 -4.75 115.64 108.49 3h4y s THR 117 Ca 0.70 0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 61.85 3h4y s THR 117 Cb -0.05 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 70.17 3h4y s THR 117 CO 0.50 -0.87 0.94 -2.16 -0.54 0.00 0.00 174.62 172.49 3h4y s PRO 118 N -4.86 3.90 -0.15 3.99 0.04 -1.26 -4.63 135.00 132.03 3h4y s PRO 118 Ca 0.58 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.48 3h4y s PRO 118 Cb -0.13 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3h4y s PRO 118 CO 0.50 -0.22 -0.21 -1.12 0.04 0.00 0.00 177.00 175.99 3h4y s SER 119 N -3.12 3.17 -0.11 6.66 0.01 -0.21 -4.94 113.70 115.16 3h4y s SER 119 Ca 0.57 -0.60 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 3h4y s SER 119 Cb -0.10 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 3h4y s SER 119 CO 0.32 0.06 0.35 -0.69 0.41 0.00 0.00 173.24 173.69 3h4y s VAL 120 N 0.95 5.22 0.45 3.43 1.01 -1.26 -0.97 120.40 129.24 3h4y s VAL 120 Ca -0.03 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.70 3h4y s VAL 120 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3h4y s VAL 120 CO -0.05 0.44 0.26 -0.63 0.00 0.00 0.00 175.10 175.11 3h4y s ILE 121 N 0.03 2.14 0.00 2.22 -1.09 0.59 -4.98 121.20 120.10 3h4y s ILE 121 Ca 0.20 -1.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 3h4y s ILE 121 Cb -0.14 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3h4y s ILE 121 CO 0.08 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 3h4y n GLY 123 N -1.42 1.66 3.72 6.18 0.00 -1.06 -1.05 105.19 113.24 3h4y n GLY 123 Ca -0.02 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3h4y n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h4y s ASP 124 N 0.00 6.52 -1.07 1.61 1.01 -1.26 -2.50 116.67 120.98 3h4y s ASP 124 Ca 0.00 2.71 0.00 0.00 0.71 0.00 0.00 52.55 55.97 3h4y s ASP 124 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3h4y s ASP 124 CO 0.00 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.14 3h4y n GLY 125 N 3.45 0.94 3.76 0.21 0.00 -0.64 -4.97 105.19 107.93 3h4y n GLY 125 Ca 0.13 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3h4y n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h4y s HIS 126 N -2.42 2.55 0.10 1.61 -3.43 -0.43 -4.66 115.29 108.60 3h4y s HIS 126 Ca 0.00 1.41 0.10 0.00 -0.80 0.00 0.00 55.06 55.77 3h4y s HIS 126 Cb 0.00 -3.08 -0.04 0.00 -1.43 0.00 0.00 32.58 28.03 3h4y s HIS 126 CO 0.00 -1.96 -0.26 0.95 -2.00 0.00 0.00 174.74 171.47 3h4y s THR 127 N -2.95 2.17 -0.19 -5.38 -4.23 -1.26 -1.57 115.64 102.23 3h4y s THR 127 Ca 0.62 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3h4y s THR 127 Cb -0.17 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3h4y s THR 127 CO 0.56 0.17 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.06 3h4y s ILE 128 N -0.98 2.78 -0.35 2.99 -1.09 0.34 -4.99 121.20 119.91 3h4y s ILE 128 Ca 0.13 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3h4y s ILE 128 Cb -0.10 -2.22 0.11 0.00 -1.58 0.00 0.00 42.46 38.67 3h4y s ILE 128 CO 0.05 0.48 0.12 -0.44 -1.23 0.00 0.00 174.94 173.92 3h4y s SER 129 N 1.26 4.14 0.23 3.58 0.01 -1.26 -1.89 113.70 119.76 3h4y s SER 129 Ca 0.03 -1.98 -0.30 0.00 1.31 0.00 0.00 55.95 55.01 3h4y s SER 129 Cb -0.14 -1.09 -0.10 0.00 0.21 0.00 0.00 66.02 64.90 3h4y s SER 129 CO -0.06 -0.37 1.42 -1.00 0.41 0.00 0.00 173.24 173.64 3h4y s HIS 130 N 1.16 3.07 -0.44 2.43 3.76 -1.26 -4.97 115.29 119.05 3h4y s HIS 130 Ca 0.12 1.03 -0.10 0.00 -0.15 0.00 0.00 55.06 55.96 3h4y s HIS 130 Cb -0.19 -3.78 0.08 0.00 1.11 0.00 0.00 32.58 29.80 3h4y s HIS 130 CO -0.16 -2.56 0.30 0.08 -0.85 0.00 0.00 174.74 171.55 3h4y s VAL 131 N 0.13 4.43 0.02 -0.90 1.01 -1.26 -4.84 120.40 119.00 3h4y s VAL 131 Ca 0.60 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3h4y s VAL 131 Cb -0.41 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3h4y s VAL 131 CO 0.41 -0.57 0.45 0.28 0.00 0.00 0.00 175.10 175.67 3h4y s THR 132 N 1.46 0.04 -0.20 3.92 -1.32 -1.26 -5.03 115.64 113.25 3h4y s THR 132 Ca 0.04 -0.37 0.29 0.00 -1.21 0.00 0.00 61.69 60.44 3h4y s THR 132 Cb -0.24 -0.90 0.35 0.00 -1.51 0.00 0.00 72.50 70.20 3h4y s THR 132 CO 0.03 -0.20 1.82 0.11 -2.21 0.00 0.00 174.62 174.17 3h4y h LYS 133 N 3.12 0.00 -6.71 7.08 1.57 -1.96 -3.46 116.57 116.21 3h4y h LYS 133 Ca -0.30 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.99 3h4y h LYS 133 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.52 3h4y h LYS 133 CO 0.42 0.00 -0.04 -1.12 -0.57 0.00 0.00 179.45 178.14 3h4y s SER 134 N -5.61 6.31 0.76 0.86 0.01 -1.26 -5.05 113.70 109.71 3h4y s SER 134 Ca 0.04 0.72 -0.13 0.00 1.31 0.00 0.00 55.95 57.89 3h4y s SER 134 Cb 0.08 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 64.21 3h4y s SER 134 CO 0.57 -0.41 1.13 -2.84 0.41 0.00 0.00 173.24 172.10 3h4y s PRO 135 N -4.41 2.15 0.00 12.44 0.02 -1.26 -4.63 135.00 139.31 3h4y s PRO 135 Ca 0.44 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.89 3h4y s PRO 135 Cb -0.10 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3h4y s PRO 135 CO 0.39 -1.76 0.00 -0.89 -0.33 0.00 0.00 177.00 174.41 3h4y n ILE 136 N -3.18 0.00 0.00 2.83 5.41 -0.57 -4.70 119.36 119.15 3h4y n ILE 136 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3h4y n ILE 136 Cb 0.52 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 3h4y n ILE 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h4y n ALA 138 N -3.00 0.00 -3.74 -1.39 0.00 -0.21 -1.19 120.51 110.98 3h4y n ALA 138 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3h4y n ALA 138 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3h4y n ALA 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h4y s ILE 139 N -1.33 0.42 0.40 0.00 1.01 0.28 -1.91 121.20 120.07 3h4y s ILE 139 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 3h4y s ILE 139 Cb 0.00 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.58 3h4y s ILE 139 CO 0.00 -0.02 1.00 -2.16 0.00 0.00 0.00 174.94 173.76 3h4y s PRO 140 N 1.93 4.21 0.05 2.79 0.04 -1.26 -1.09 135.00 141.66 3h4y s PRO 140 Ca 0.02 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.47 3h4y s PRO 140 Cb -0.15 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 3h4y s PRO 140 CO -0.07 -0.07 -0.17 -0.06 0.04 0.00 0.00 177.00 176.67 3h4y s PHE 141 N -1.83 1.52 0.02 0.56 0.40 0.12 -0.13 117.98 118.64 3h4y s PHE 141 Ca 0.59 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.58 3h4y s PHE 141 Cb -0.17 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.43 3h4y s PHE 141 CO 0.22 0.08 -0.07 -0.51 0.70 0.00 0.00 175.22 175.64 3h4y s LEU 142 N -1.26 3.15 0.36 -0.37 1.43 -0.20 -1.44 118.68 120.35 3h4y s LEU 142 Ca 0.04 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3h4y s LEU 142 Cb -0.09 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3h4y s LEU 142 CO 0.02 0.26 0.10 0.42 0.23 0.00 0.00 176.35 177.38 3h4y s THR 143 N -1.04 0.84 0.58 5.49 -4.23 0.44 -1.03 115.64 116.68 3h4y s THR 143 Ca 0.18 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.06 3h4y s THR 143 Cb -0.11 -2.55 0.40 0.00 1.34 0.00 0.00 72.50 71.58 3h4y s THR 143 CO 0.09 0.00 2.28 0.78 -0.54 0.00 0.00 174.62 177.23 3h4y h ASN 144 N 1.97 0.00 -0.29 3.99 2.35 -2.01 -2.82 115.58 118.77 3h4y h ASN 144 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3h4y h ASN 144 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3h4y h ASN 144 CO 0.63 0.01 0.00 1.41 -1.65 0.00 0.00 177.43 177.83 3h4y n HIS 145 N -3.39 0.73 -0.37 1.19 8.25 -1.26 -5.09 115.22 115.27 3h4y n HIS 145 Ca -0.03 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 3h4y n HIS 145 Cb 0.11 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.03 3h4y n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h4y n GLY 146 N -0.09 0.78 3.34 -1.41 0.00 -1.06 -2.15 105.19 104.60 3h4y n GLY 146 Ca 0.17 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 3h4y n GLY 146 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h4y s GLU 147 N -2.00 1.31 0.06 1.61 8.01 -1.26 -0.42 118.70 126.01 3h4y s GLU 147 Ca 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 54.97 53.32 3h4y s GLU 147 Cb 0.00 -1.12 0.01 0.00 -4.31 0.00 0.00 34.13 28.71 3h4y s GLU 147 CO 0.00 0.19 0.22 -0.59 0.01 0.00 0.00 175.26 175.09 3h4y s PHE 148 N -2.88 0.05 -0.09 1.61 -0.71 -0.52 -1.70 117.98 113.73 3h4y s PHE 148 Ca 0.21 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.80 3h4y s PHE 148 Cb -0.01 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3h4y s PHE 148 CO 0.07 -0.49 -0.16 0.99 -1.34 0.00 0.00 175.22 174.28 3h4y s THR 149 N -3.06 1.52 -0.19 -4.49 2.01 0.37 0.11 115.64 111.90 3h4y s THR 149 Ca -0.01 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 3h4y s THR 149 Cb 0.01 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 3h4y s THR 149 CO -0.07 0.44 0.18 -0.69 -0.69 0.00 0.00 174.62 173.80 3h4y s VAL 150 N 0.72 5.38 0.19 3.82 1.01 -0.25 -1.09 120.40 130.17 3h4y s VAL 150 Ca -0.12 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.26 3h4y s VAL 150 Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3h4y s VAL 150 CO 0.03 0.42 -0.20 -1.61 0.00 0.00 0.00 175.10 173.74 3h4y s GLU 151 N 0.38 1.39 -0.19 2.72 2.02 0.08 -0.56 118.70 124.54 3h4y s GLU 151 Ca 0.11 -1.48 -0.15 0.00 0.02 0.00 0.00 54.97 53.47 3h4y s GLU 151 Cb -0.12 -1.51 0.05 0.00 0.10 0.00 0.00 34.13 32.66 3h4y s GLU 151 CO -0.00 0.31 0.49 0.12 0.02 0.00 0.00 175.26 176.19 3h4y s PHE 152 N -2.03 -0.60 0.08 1.61 5.36 -1.26 -1.48 117.98 119.67 3h4y s PHE 152 Ca 0.19 1.37 -0.15 0.00 -0.96 0.00 0.00 56.93 57.39 3h4y s PHE 152 Cb -0.06 0.24 0.03 0.00 -0.34 0.00 0.00 43.02 42.89 3h4y s PHE 152 CO 0.08 -0.30 0.34 0.00 -1.46 0.00 0.00 175.22 173.88 3h4y s PHE 154 N -3.27 -0.27 0.00 0.00 -0.12 -1.26 -1.83 117.98 111.23 3h4y s PHE 154 Ca -0.00 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 3h4y s PHE 154 Cb 0.01 0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 3h4y s PHE 154 CO -0.08 -0.68 0.00 -0.85 -0.05 0.00 0.00 175.22 173.56