#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hp4 s ASN 3 N 0.00 4.38 -0.27 1.67 0.01 -1.26 -4.89 114.94 114.59 3hp4 s ASN 3 Ca 0.00 -3.48 -0.09 0.00 -0.71 0.00 0.00 52.86 48.58 3hp4 s ASN 3 Cb 0.00 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.11 3hp4 s ASN 3 CO 0.00 -0.14 0.11 -0.89 -1.51 0.00 0.00 177.10 174.67 3hp4 s THR 4 N -0.91 4.61 -0.23 1.60 2.01 -1.26 -1.28 115.64 120.17 3hp4 s THR 4 Ca 0.23 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 3hp4 s THR 4 Cb -0.11 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.21 3hp4 s THR 4 CO -0.11 0.27 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.40 3hp4 s ILE 5 N 1.65 3.01 -0.23 1.82 1.01 0.25 -1.86 121.20 126.84 3hp4 s ILE 5 Ca 0.06 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 3hp4 s ILE 5 Cb -0.16 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3hp4 s ILE 5 CO 0.06 0.30 0.93 -0.22 0.00 0.00 0.00 174.94 176.01 3hp4 s LEU 6 N 1.38 4.10 -0.37 2.97 2.96 -0.21 -0.69 118.68 128.82 3hp4 s LEU 6 Ca 0.03 1.23 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 3hp4 s LEU 6 Cb -0.15 -3.37 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 3hp4 s LEU 6 CO -0.05 -0.58 0.30 -0.63 -1.32 0.00 0.00 176.35 174.08 3hp4 s ILE 7 N 2.92 5.24 -0.85 6.68 1.01 0.23 -0.60 121.20 135.83 3hp4 s ILE 7 Ca 0.40 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 3hp4 s ILE 7 Cb -0.15 -3.83 0.22 0.00 0.01 0.00 0.00 42.46 38.70 3hp4 s ILE 7 CO 0.07 -0.16 0.75 -0.22 0.00 0.00 0.00 174.94 175.38 3hp4 s LEU 8 N 1.80 5.95 0.00 2.97 2.96 0.06 -0.76 118.68 131.66 3hp4 s LEU 8 Ca 0.07 -3.19 0.00 0.00 -0.22 0.00 0.00 54.13 50.80 3hp4 s LEU 8 Cb -0.18 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 3hp4 s LEU 8 CO 0.11 -0.36 0.01 0.61 -1.32 0.00 0.00 176.35 175.40 3hp4 n GLY 9 N 3.15 3.98 0.95 7.98 0.00 -1.26 -1.01 105.19 118.99 3hp4 n GLY 9 Ca 0.16 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3hp4 n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hp4 n ASP 10 N -1.27 0.00 0.00 1.61 5.68 -1.16 -2.00 116.55 119.41 3hp4 n ASP 10 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 3hp4 n ASP 10 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3hp4 n ASP 10 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hp4 n LEU 12 N -2.40 0.00 0.00 -2.12 4.77 -1.26 -1.76 117.00 114.23 3hp4 n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hp4 n LEU 12 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hp4 n LEU 12 CO 0.00 0.00 0.14 -1.20 -1.33 0.00 0.00 177.39 175.00 3hp4 n SER 13 N 0.00 0.54 -1.60 -1.43 7.64 -1.26 -4.71 113.62 112.80 3hp4 n SER 13 Ca 0.00 -0.78 0.08 0.00 1.01 0.00 0.00 58.87 59.18 3hp4 n SER 13 Cb 0.00 0.41 0.35 0.00 -1.01 0.00 0.00 64.21 63.96 3hp4 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hp4 n ALA 14 N -0.41 3.31 -3.74 -0.43 0.00 -0.72 -4.73 120.51 113.79 3hp4 n ALA 14 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 53.44 51.61 3hp4 n ALA 14 Cb 0.01 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.45 3hp4 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hp4 n ALA 15 N 0.89 -1.29 -1.68 0.00 0.00 -1.26 -4.87 120.51 112.29 3hp4 n ALA 15 Ca 0.25 0.32 -0.45 0.00 0.00 0.00 0.00 53.44 53.55 3hp4 n ALA 15 Cb 0.94 -5.08 -0.04 0.00 0.00 0.00 0.00 19.45 15.27 3hp4 n ALA 15 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3hp4 n TYR 16 N -4.87 2.42 -0.98 0.00 9.36 -1.26 -1.69 117.16 120.14 3hp4 n TYR 16 Ca 0.03 0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.39 3hp4 n TYR 16 Cb 0.54 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 3hp4 n TYR 16 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hp4 n GLY 17 N 3.71 0.44 3.37 2.98 0.00 -1.26 -4.96 105.19 109.47 3hp4 n GLY 17 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3hp4 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hp4 s LEU 18 N 0.00 1.78 0.40 0.99 1.43 -0.68 -4.99 118.68 117.61 3hp4 s LEU 18 Ca 0.00 -1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 51.40 3hp4 s LEU 18 Cb 0.00 -0.01 -0.10 0.00 0.03 0.00 0.00 46.19 46.11 3hp4 s LEU 18 CO 0.00 -0.78 0.96 -1.10 0.23 0.00 0.00 176.35 175.66 3hp4 s GLN 19 N -3.90 4.30 0.25 1.70 -1.52 -1.26 -4.96 119.66 114.26 3hp4 s GLN 19 Ca 0.35 1.21 -0.04 0.00 -1.95 0.00 0.00 55.36 54.93 3hp4 s GLN 19 Cb 0.06 -2.36 0.39 0.00 -0.22 0.00 0.00 33.01 30.89 3hp4 s GLN 19 CO 0.15 0.02 1.83 0.37 -0.25 0.00 0.00 175.29 177.42 3hp4 h GLN 20 N 2.26 0.86 0.00 2.91 4.15 -1.92 -0.39 115.11 122.98 3hp4 h GLN 20 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3hp4 h GLN 20 Cb 1.19 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.68 3hp4 h GLN 20 CO 0.62 0.57 0.00 0.39 -1.93 0.00 0.00 178.83 178.48 3hp4 n GLU 21 N -4.68 0.15 0.01 1.69 4.71 -1.26 -1.65 120.64 119.62 3hp4 n GLU 21 Ca 0.14 0.49 0.12 0.00 -0.01 0.00 0.00 57.16 57.90 3hp4 n GLU 21 Cb 0.25 -1.85 0.25 0.00 -1.01 0.00 0.00 31.44 29.08 3hp4 n GLU 21 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3hp4 n GLU 22 N -2.14 0.07 -2.09 3.49 1.02 -0.16 -4.59 120.64 116.24 3hp4 n GLU 22 Ca 0.01 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.84 3hp4 n GLU 22 Cb 0.14 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3hp4 n GLU 22 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hp4 s GLY 23 N -3.16 2.09 0.48 0.62 0.00 -0.66 -4.78 107.32 101.91 3hp4 s GLY 23 Ca 0.10 0.33 0.15 0.00 0.00 0.00 0.00 44.72 45.30 3hp4 s GLY 23 CO 0.69 0.64 2.07 0.11 0.00 0.00 0.00 173.10 176.61 3hp4 h TRP 24 N 0.47 0.00 -0.22 1.90 5.08 -1.87 -0.87 115.95 120.44 3hp4 h TRP 24 Ca -0.47 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.48 3hp4 h TRP 24 Cb 1.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 3hp4 h TRP 24 CO 0.60 0.09 0.03 0.28 -1.28 0.00 0.00 178.44 178.16 3hp4 h VAL 25 N 0.00 1.23 -0.52 0.12 2.07 -1.91 0.26 116.25 117.50 3hp4 h VAL 25 Ca -0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3hp4 h VAL 25 Cb 0.16 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3hp4 h VAL 25 CO 0.01 0.24 0.21 0.50 0.02 0.00 0.00 177.57 178.55 3hp4 h LYS 26 N 0.16 0.77 -0.42 1.57 1.63 -1.68 -0.88 116.57 117.72 3hp4 h LYS 26 Ca 0.07 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 3hp4 h LYS 26 Cb 0.33 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3hp4 h LYS 26 CO 0.01 0.67 0.03 -0.07 -3.45 0.00 0.00 179.45 176.64 3hp4 h LEU 27 N 0.70 0.63 -0.49 5.20 3.38 -0.94 -0.78 115.31 123.01 3hp4 h LEU 27 Ca 0.17 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3hp4 h LEU 27 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hp4 h LEU 27 CO -0.02 0.68 -0.16 0.25 0.09 0.00 0.00 178.44 179.28 3hp4 h LEU 28 N 0.64 1.00 -1.07 1.67 5.85 -0.10 -1.64 115.31 121.66 3hp4 h LEU 28 Ca 0.13 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3hp4 h LEU 28 Cb 0.35 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hp4 h LEU 28 CO 0.01 1.15 0.32 -0.61 -0.34 0.00 0.00 178.44 178.97 3hp4 h GLN 29 N 0.84 0.98 -0.83 1.25 5.75 -0.70 -0.46 115.11 121.94 3hp4 h GLN 29 Ca 0.12 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3hp4 h GLN 29 Cb 0.73 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 3hp4 h GLN 29 CO 0.06 0.77 0.54 -0.44 -2.65 0.00 0.00 178.83 177.10 3hp4 h ASP 30 N 0.98 0.90 -0.27 -0.69 3.32 -0.81 0.33 116.42 120.18 3hp4 h ASP 30 Ca 0.24 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3hp4 h ASP 30 Cb 0.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3hp4 h ASP 30 CO -0.03 0.63 0.08 0.50 -1.72 0.00 0.00 179.24 178.70 3hp4 h LYS 31 N 1.06 0.43 -0.42 3.56 3.64 -0.49 -1.86 116.57 122.49 3hp4 h LYS 31 Ca 0.32 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3hp4 h LYS 31 Cb -0.04 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3hp4 h LYS 31 CO -0.10 0.50 0.19 1.88 -2.27 0.00 0.00 179.45 179.65 3hp4 h TYR 32 N 0.27 0.35 -0.02 1.91 0.05 -0.75 -2.01 116.97 116.78 3hp4 h TYR 32 Ca 0.09 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3hp4 h TYR 32 Cb 0.25 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3hp4 h TYR 32 CO 0.01 0.17 -0.00 -0.44 -1.05 0.00 0.00 178.16 176.84 3hp4 h ASP 33 N 0.39 0.02 0.20 3.88 3.32 -0.69 -2.26 116.42 121.28 3hp4 h ASP 33 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3hp4 h ASP 33 Cb 0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hp4 h ASP 33 CO -0.15 0.03 -0.35 0.00 -1.72 0.00 0.00 179.24 177.05 3hp4 n ALA 34 N -2.53 3.29 -1.34 3.45 0.00 -0.72 -4.15 120.51 118.51 3hp4 n ALA 34 Ca -0.03 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.03 3hp4 n ALA 34 Cb 0.10 -1.05 0.14 0.00 0.00 0.00 0.00 19.45 18.65 3hp4 n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hp4 n GLU 35 N -0.62 1.21 -3.58 0.00 1.02 -0.90 -4.99 120.64 112.78 3hp4 n GLU 35 Ca 0.11 -2.62 -0.23 0.00 -0.02 0.00 0.00 57.16 54.39 3hp4 n GLU 35 Cb 0.37 -1.40 0.08 0.00 -0.02 0.00 0.00 31.44 30.47 3hp4 n GLU 35 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hp4 n GLN 36 N -1.17 -7.64 -3.29 3.49 3.00 -1.14 -4.97 117.38 105.65 3hp4 n GLN 36 Ca 0.15 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.66 3hp4 n GLN 36 Cb 0.68 -5.87 -0.05 0.00 0.00 0.00 0.00 30.24 25.00 3hp4 n GLN 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hp4 s SER 37 N -3.52 6.59 0.00 1.08 0.15 -0.92 -5.00 113.70 112.08 3hp4 s SER 37 Ca 0.48 0.95 0.20 0.00 0.70 0.00 0.00 55.95 58.28 3hp4 s SER 37 Cb -0.21 -2.24 0.55 0.00 -1.71 0.00 0.00 66.02 62.41 3hp4 s SER 37 CO 0.73 -0.16 1.47 -0.90 1.20 0.00 0.00 173.24 175.58 3hp4 n ASP 38 N -0.50 3.37 -4.73 5.45 5.75 -1.26 -4.83 116.55 119.80 3hp4 n ASP 38 Ca 0.01 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.39 3hp4 n ASP 38 Cb 0.53 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 3hp4 n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hp4 s ILE 39 N -1.23 4.27 -0.12 2.12 1.01 -1.26 -3.99 121.20 122.00 3hp4 s ILE 39 Ca 0.42 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.95 3hp4 s ILE 39 Cb 0.22 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3hp4 s ILE 39 CO 0.30 0.27 -0.19 -0.69 0.00 0.00 0.00 174.94 174.63 3hp4 s VAL 40 N 0.10 1.77 -0.11 2.92 1.01 -0.41 -4.91 120.40 120.77 3hp4 s VAL 40 Ca 0.49 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3hp4 s VAL 40 Cb -0.26 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3hp4 s VAL 40 CO 0.31 0.49 0.30 -0.76 0.00 0.00 0.00 175.10 175.44 3hp4 s LEU 41 N 0.85 4.33 -0.27 3.92 1.43 -1.26 -0.59 118.68 127.10 3hp4 s LEU 41 Ca -0.08 0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3hp4 s LEU 41 Cb -0.15 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.73 3hp4 s LEU 41 CO -0.01 0.21 -0.05 -0.63 0.23 0.00 0.00 176.35 176.10 3hp4 s ILE 42 N -0.19 2.80 -0.38 -0.59 1.01 0.13 -4.94 121.20 119.05 3hp4 s ILE 42 Ca 0.18 -1.22 -0.24 0.00 0.00 0.00 0.00 60.65 59.37 3hp4 s ILE 42 Cb -0.14 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3hp4 s ILE 42 CO 0.06 0.08 0.83 0.21 0.00 0.00 0.00 174.94 176.12 3hp4 s ASN 43 N 1.27 6.57 -0.26 3.58 3.84 -1.26 -0.60 114.94 128.08 3hp4 s ASN 43 Ca -0.03 0.35 0.11 0.00 0.21 0.00 0.00 52.86 53.51 3hp4 s ASN 43 Cb -0.18 -2.42 0.50 0.00 -0.55 0.00 0.00 41.25 38.60 3hp4 s ASN 43 CO -0.04 -0.81 1.43 0.00 -2.79 0.00 0.00 177.10 174.90 3hp4 n ALA 44 N 6.60 3.91 -1.80 1.71 0.00 0.06 -4.94 120.51 126.06 3hp4 n ALA 44 Ca 0.04 -2.95 -0.35 0.00 0.00 0.00 0.00 53.44 50.18 3hp4 n ALA 44 Cb 0.48 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 3hp4 n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hp4 s SER 45 N -2.45 6.98 -0.04 0.00 0.01 -1.19 -4.35 113.70 112.66 3hp4 s SER 45 Ca 0.43 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.54 3hp4 s SER 45 Cb 0.39 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 64.08 3hp4 s SER 45 CO 0.02 -0.33 -0.00 -0.63 0.41 0.00 0.00 173.24 172.71 3hp4 s ILE 46 N -1.85 0.22 0.25 1.44 1.01 -0.84 -4.79 121.20 116.64 3hp4 s ILE 46 Ca 0.57 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.00 3hp4 s ILE 46 Cb -0.16 -0.33 -0.13 0.00 0.01 0.00 0.00 42.46 41.85 3hp4 s ILE 46 CO 0.21 0.17 1.49 -1.20 0.00 0.00 0.00 174.94 175.61 3hp4 n SER 47 N 4.34 3.17 0.00 3.58 7.64 -1.26 -1.79 113.62 129.30 3hp4 n SER 47 Ca -0.22 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.80 3hp4 n SER 47 Cb 0.50 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3hp4 n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hp4 n GLY 48 N 2.31 0.86 3.77 0.23 0.00 -1.26 -5.02 105.19 106.08 3hp4 n GLY 48 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3hp4 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hp4 s GLU 49 N -0.11 3.87 0.43 1.61 2.56 -0.74 -4.96 118.70 121.36 3hp4 s GLU 49 Ca 0.00 2.24 0.07 0.00 0.00 0.00 0.00 54.97 57.28 3hp4 s GLU 49 Cb 0.00 -2.72 -0.04 0.00 2.00 0.00 0.00 34.13 33.37 3hp4 s GLU 49 CO 0.00 -0.61 0.20 0.95 -0.56 0.00 0.00 175.26 175.25 3hp4 s THR 50 N -1.25 2.22 0.26 -1.70 -4.23 -1.26 -4.48 115.64 105.21 3hp4 s THR 50 Ca 0.58 -1.67 -0.05 0.00 -1.18 0.00 0.00 61.69 59.37 3hp4 s THR 50 Cb -0.40 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 70.78 3hp4 s THR 50 CO 0.51 0.00 1.90 0.77 -0.54 0.00 0.00 174.62 177.27 3hp4 h SER 51 N 1.35 1.07 0.37 3.99 4.64 -1.93 -1.48 113.55 121.56 3hp4 h SER 51 Ca -0.42 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 3hp4 h SER 51 Cb 1.26 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3hp4 h SER 51 CO 0.69 0.82 -0.81 1.23 -0.87 0.00 0.00 176.83 177.88 3hp4 h GLY 52 N 1.24 0.38 1.09 -0.77 0.00 -1.94 -2.16 103.07 100.90 3hp4 h GLY 52 Ca 0.32 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3hp4 h GLY 52 CO -0.06 0.52 0.02 -1.33 0.00 0.00 0.00 176.54 175.69 3hp4 h GLY 53 N 1.43 1.18 1.18 4.60 0.00 -1.87 -2.75 103.07 106.83 3hp4 h GLY 53 Ca -0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.35 3hp4 h GLY 53 CO 0.14 0.79 0.06 0.00 0.00 0.00 0.00 176.54 177.53 3hp4 h ALA 54 N 1.00 0.97 -0.44 3.60 0.00 -1.21 -2.53 119.26 120.65 3hp4 h ALA 54 Ca 0.18 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hp4 h ALA 54 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hp4 h ALA 54 CO 0.03 0.64 0.30 1.25 0.00 0.00 0.00 179.25 181.46 3hp4 h LEU 55 N 0.94 0.35 -1.14 0.00 5.85 -1.10 -0.35 115.31 119.86 3hp4 h LEU 55 Ca 0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hp4 h LEU 55 Cb 0.45 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hp4 h LEU 55 CO 0.02 0.24 0.00 0.03 -0.34 0.00 0.00 178.44 178.38 3hp4 h ARG 56 N 0.40 0.00 0.00 1.25 3.08 -1.27 -3.23 114.38 114.61 3hp4 h ARG 56 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hp4 h ARG 56 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hp4 h ARG 56 CO -0.05 0.00 -1.89 0.54 -1.07 0.00 0.00 179.97 177.50 3hp4 n ARG 57 N -3.05 0.60 -0.06 0.04 1.74 -0.23 -4.71 116.66 111.00 3hp4 n ARG 57 Ca 0.01 -0.18 -0.13 0.00 -0.77 0.00 0.00 57.85 56.79 3hp4 n ARG 57 Cb 0.35 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3hp4 n ARG 57 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3hp4 h LEU 58 N 0.00 0.87 -0.60 0.55 5.85 -1.33 -2.56 115.31 118.08 3hp4 h LEU 58 Ca 0.00 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.35 3hp4 h LEU 58 Cb 0.94 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3hp4 h LEU 58 CO 0.00 1.22 0.27 0.44 -0.34 0.00 0.00 178.44 180.03 3hp4 h ASP 59 N 0.61 0.32 -0.74 1.25 3.32 -1.84 -0.16 116.42 119.18 3hp4 h ASP 59 Ca 0.02 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3hp4 h ASP 59 Cb 1.11 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3hp4 h ASP 59 CO 0.11 0.20 0.23 0.00 -1.72 0.00 0.00 179.24 178.06 3hp4 h ALA 60 N 1.38 1.00 -0.69 3.45 0.00 -1.84 -1.76 119.26 120.80 3hp4 h ALA 60 Ca 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hp4 h ALA 60 Cb 0.30 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hp4 h ALA 60 CO -0.25 0.67 0.16 -0.07 0.00 0.00 0.00 179.25 179.76 3hp4 h LEU 61 N 1.10 1.06 -0.62 0.00 3.38 -0.97 -0.01 115.31 119.25 3hp4 h LEU 61 Ca 0.24 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hp4 h LEU 61 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hp4 h LEU 61 CO -0.01 1.02 0.16 -0.07 0.09 0.00 0.00 178.44 179.63 3hp4 h LEU 62 N 1.04 0.94 -0.70 1.67 3.38 -0.86 -1.59 115.31 119.19 3hp4 h LEU 62 Ca 0.22 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hp4 h LEU 62 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hp4 h LEU 62 CO 0.00 0.92 0.23 -0.08 0.09 0.00 0.00 178.44 179.60 3hp4 h GLU 63 N 0.91 1.08 -0.15 1.13 4.81 -1.16 0.38 114.58 121.59 3hp4 h GLU 63 Ca 0.20 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hp4 h GLU 63 Cb 0.34 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3hp4 h GLU 63 CO -0.00 0.93 0.07 0.37 -0.73 0.00 0.00 179.01 179.65 3hp4 h GLN 64 N 1.03 0.22 0.00 1.92 4.15 -0.62 -3.37 115.11 118.44 3hp4 h GLN 64 Ca 0.23 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 3hp4 h GLN 64 Cb 0.29 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3hp4 h GLN 64 CO -0.01 0.28 -0.95 0.66 -1.93 0.00 0.00 178.83 176.88 3hp4 n TYR 65 N -4.90 0.00 -4.10 3.99 4.01 -0.63 -5.03 117.16 110.51 3hp4 n TYR 65 Ca -0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 3hp4 n TYR 65 Cb 0.10 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3hp4 n TYR 65 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3hp4 n GLU 66 N -1.53 -1.49 -1.64 -0.72 1.02 0.12 -4.87 120.64 111.54 3hp4 n GLU 66 Ca 0.00 0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 3hp4 n GLU 66 Cb 0.20 -3.68 0.07 0.00 -0.02 0.00 0.00 31.44 28.01 3hp4 n GLU 66 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hp4 s PRO 67 N -7.02 2.50 0.23 3.49 0.04 -1.26 -4.93 135.00 128.04 3hp4 s PRO 67 Ca 0.15 1.63 0.24 0.00 0.04 0.00 0.00 61.00 63.06 3hp4 s PRO 67 Cb -0.08 -1.89 0.34 0.00 0.04 0.00 0.00 34.50 32.92 3hp4 s PRO 67 CO 0.95 -1.53 1.40 1.79 0.04 0.00 0.00 177.00 179.65 3hp4 h THR 68 N -0.00 0.00 -3.53 1.26 1.35 -1.75 -3.40 112.91 106.84 3hp4 h THR 68 Ca -0.48 -0.73 -0.17 0.00 -0.55 0.00 0.00 66.41 64.48 3hp4 h THR 68 Cb 1.28 1.46 -0.23 0.00 -1.73 0.00 0.00 68.15 68.92 3hp4 h THR 68 CO 0.52 0.00 -0.55 -1.00 -0.25 0.00 0.00 175.52 174.24 3hp4 s HIS 69 N -3.21 -0.02 -0.06 4.73 3.76 -0.78 -1.13 115.29 118.58 3hp4 s HIS 69 Ca 0.06 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 3hp4 s HIS 69 Cb 0.10 -0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.79 3hp4 s HIS 69 CO 0.70 -0.17 -0.11 0.08 -0.85 0.00 0.00 174.74 174.39 3hp4 s VAL 70 N -0.72 1.06 -0.27 -0.90 1.01 0.11 -1.05 120.40 119.64 3hp4 s VAL 70 Ca -0.08 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3hp4 s VAL 70 Cb -0.05 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.40 3hp4 s VAL 70 CO 0.01 0.34 -0.07 -0.22 0.00 0.00 0.00 175.10 175.15 3hp4 s LEU 71 N 0.71 3.46 -0.18 3.92 0.20 0.23 -0.75 118.68 126.27 3hp4 s LEU 71 Ca -0.14 -1.23 -0.19 0.00 0.69 0.00 0.00 54.13 53.27 3hp4 s LEU 71 Cb -0.16 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 3hp4 s LEU 71 CO 0.03 -0.19 0.53 -0.63 -0.29 0.00 0.00 176.35 175.80 3hp4 s ILE 72 N 1.20 5.11 -0.56 6.68 1.01 0.00 -0.76 121.20 133.88 3hp4 s ILE 72 Ca -0.05 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.64 3hp4 s ILE 72 Cb -0.19 -3.86 0.17 0.00 0.01 0.00 0.00 42.46 38.59 3hp4 s ILE 72 CO -0.04 0.20 0.42 -0.70 0.00 0.00 0.00 174.94 174.81 3hp4 s GLU 73 N 1.47 1.70 0.04 2.79 -6.30 -0.18 -0.90 118.70 117.31 3hp4 s GLU 73 Ca 0.25 -2.73 -0.05 0.00 -2.50 0.00 0.00 54.97 49.94 3hp4 s GLU 73 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 34.13 31.52 3hp4 s GLU 73 CO 0.10 -1.33 0.08 -0.51 0.02 0.00 0.00 175.26 173.61 3hp4 s LEU 74 N -0.70 1.89 0.00 2.70 1.43 -1.26 -2.98 118.68 119.76 3hp4 s LEU 74 Ca 0.29 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3hp4 s LEU 74 Cb -0.01 0.53 0.00 0.00 0.03 0.00 0.00 46.19 46.75 3hp4 s LEU 74 CO -0.18 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3hp4 n GLY 75 N 0.79 1.53 0.31 -3.19 0.00 -1.26 -4.91 105.19 98.45 3hp4 n GLY 75 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3hp4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hp4 h ALA 76 N 0.00 1.18 -0.53 4.61 0.00 -1.91 -0.66 119.26 121.96 3hp4 h ALA 76 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hp4 h ALA 76 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hp4 h ALA 76 CO 0.00 0.11 -0.06 -0.91 0.00 0.00 0.00 179.25 178.38 3hp4 h ASN 77 N 0.80 0.93 -0.14 0.00 2.35 -1.93 0.10 115.58 117.69 3hp4 h ASN 77 Ca 0.40 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3hp4 h ASN 77 Cb 0.36 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 3hp4 h ASN 77 CO -0.25 1.02 -0.08 0.44 -1.65 0.00 0.00 177.43 176.91 3hp4 h ASP 78 N 0.85 -0.27 -0.25 5.81 3.45 -1.60 -2.36 116.42 122.06 3hp4 h ASP 78 Ca 0.15 0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.50 3hp4 h ASP 78 Cb 0.59 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.50 3hp4 h ASP 78 CO 0.04 -0.11 -0.46 1.23 -1.57 0.00 0.00 179.24 178.36 3hp4 h GLY 79 N -0.08 0.90 2.00 2.75 0.00 -0.86 -0.72 103.07 107.06 3hp4 h GLY 79 Ca 0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 3hp4 h GLY 79 CO -0.19 0.87 -0.06 1.41 0.00 0.00 0.00 176.54 178.57 3hp4 h LEU 80 N 0.65 0.00 -2.57 3.11 3.38 -0.72 -1.82 115.31 117.34 3hp4 h LEU 80 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hp4 h LEU 80 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3hp4 h LEU 80 CO 0.10 0.06 0.00 -2.11 0.09 0.00 0.00 178.44 176.58 3hp4 n ARG 81 N -3.84 2.64 -2.02 1.13 1.85 -0.89 -4.96 116.66 110.57 3hp4 n ARG 81 Ca -0.03 -2.52 -0.13 0.00 -1.00 0.00 0.00 57.85 54.18 3hp4 n ARG 81 Cb 0.15 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 29.99 3hp4 n ARG 81 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hp4 n GLY 82 N 1.61 0.24 3.73 2.89 0.00 -0.68 -4.99 105.19 107.98 3hp4 n GLY 82 Ca 0.23 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3hp4 n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hp4 s PHE 83 N -2.60 2.16 0.20 1.61 5.99 -0.33 -4.91 117.98 120.10 3hp4 s PHE 83 Ca 0.00 1.56 -0.31 0.00 0.00 0.00 0.00 56.93 58.18 3hp4 s PHE 83 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 43.02 39.42 3hp4 s PHE 83 CO 0.00 -2.52 1.63 -2.14 -0.00 0.00 0.00 175.22 172.19 3hp4 s PRO 84 N -3.72 4.17 0.28 10.12 0.02 -1.26 -4.81 135.00 139.80 3hp4 s PRO 84 Ca 0.76 2.48 -0.00 0.00 0.02 0.00 0.00 61.00 64.26 3hp4 s PRO 84 Cb -0.30 -3.10 0.40 0.00 0.02 0.00 0.00 34.50 31.51 3hp4 s PRO 84 CO 0.42 -0.66 1.78 0.28 -0.33 0.00 0.00 177.00 178.49 3hp4 h VAL 85 N 3.84 1.23 -0.98 3.83 2.07 -1.96 -2.02 116.25 122.27 3hp4 h VAL 85 Ca -0.43 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.15 3hp4 h VAL 85 Cb 1.21 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3hp4 h VAL 85 CO 0.91 0.34 0.64 0.50 0.02 0.00 0.00 177.57 179.98 3hp4 h LYS 86 N 0.66 1.18 -0.16 1.57 3.64 -1.97 0.17 116.57 121.66 3hp4 h LYS 86 Ca 0.13 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 3hp4 h LYS 86 Cb 0.44 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3hp4 h LYS 86 CO 0.02 0.78 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.32 3hp4 h LYS 87 N 1.21 0.57 -0.76 1.90 1.63 -1.84 -1.00 116.57 118.28 3hp4 h LYS 87 Ca 0.40 -0.41 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 3hp4 h LYS 87 Cb 0.04 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 3hp4 h LYS 87 CO -0.13 1.02 0.44 1.98 -3.45 0.00 0.00 179.45 179.31 3hp4 h MET 88 N 0.22 0.75 -0.62 1.90 4.05 -0.95 -0.61 114.93 119.68 3hp4 h MET 88 Ca -0.01 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 3hp4 h MET 88 Cb 1.05 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.65 3hp4 h MET 88 CO 0.09 0.50 0.27 0.37 0.23 0.00 0.00 176.91 178.37 3hp4 h GLN 89 N 0.78 0.91 -0.37 0.39 4.15 -0.46 0.91 115.11 121.42 3hp4 h GLN 89 Ca 0.35 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.64 3hp4 h GLN 89 Cb 0.25 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3hp4 h GLN 89 CO -0.21 0.75 0.20 1.15 -1.93 0.00 0.00 178.83 178.80 3hp4 h THR 90 N 0.85 1.00 -0.18 2.39 2.02 -0.71 -0.06 112.91 118.23 3hp4 h THR 90 Ca 0.21 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3hp4 h THR 90 Cb 0.17 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3hp4 h THR 90 CO -0.02 0.07 0.06 0.78 0.37 0.00 0.00 175.52 176.78 3hp4 h ASN 91 N 0.41 0.26 -0.33 4.18 2.35 -0.66 -1.71 115.58 120.09 3hp4 h ASN 91 Ca 0.15 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3hp4 h ASN 91 Cb 0.04 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3hp4 h ASN 91 CO -0.09 0.40 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.94 3hp4 h LEU 92 N 0.12 0.72 -0.67 1.61 3.38 -0.71 -1.32 115.31 118.43 3hp4 h LEU 92 Ca 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3hp4 h LEU 92 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hp4 h LEU 92 CO -0.00 0.84 0.28 0.74 0.09 0.00 0.00 178.44 180.39 3hp4 h THR 93 N 0.68 1.24 -0.51 0.22 2.02 -0.89 -0.86 112.91 114.81 3hp4 h THR 93 Ca 0.12 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3hp4 h THR 93 Cb 0.53 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3hp4 h THR 93 CO 0.03 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 176.20 3hp4 h ALA 94 N 1.13 1.02 -0.27 6.16 0.00 -0.95 -0.09 119.26 126.27 3hp4 h ALA 94 Ca 0.23 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hp4 h ALA 94 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hp4 h ALA 94 CO -0.02 0.60 0.15 -0.07 0.00 0.00 0.00 179.25 179.91 3hp4 h LEU 95 N 0.80 0.24 -0.34 0.00 3.38 -0.79 -0.10 115.31 118.49 3hp4 h LEU 95 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hp4 h LEU 95 Cb 0.50 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hp4 h LEU 95 CO 0.02 0.18 0.17 0.58 0.09 0.00 0.00 178.44 179.48 3hp4 h VAL 96 N 0.31 1.16 -0.30 1.22 2.07 -0.83 -2.09 116.25 117.79 3hp4 h VAL 96 Ca 0.10 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3hp4 h VAL 96 Cb 0.00 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3hp4 h VAL 96 CO -0.05 0.16 -0.21 0.11 0.02 0.00 0.00 177.57 177.60 3hp4 h LYS 97 N 0.42 0.56 -0.55 1.57 1.57 -0.81 -0.38 116.57 118.96 3hp4 h LYS 97 Ca 0.12 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3hp4 h LYS 97 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3hp4 h LYS 97 CO -0.02 0.74 0.08 0.87 -0.57 0.00 0.00 179.45 180.56 3hp4 h LYS 98 N 0.50 0.91 -0.13 3.15 1.57 -0.92 -0.08 116.57 121.57 3hp4 h LYS 98 Ca 0.08 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3hp4 h LYS 98 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3hp4 h LYS 98 CO 0.05 0.88 -0.01 1.03 -0.57 0.00 0.00 179.45 180.83 3hp4 h SER 99 N 0.80 -0.07 -0.50 0.86 0.87 -0.90 -2.04 113.55 112.57 3hp4 h SER 99 Ca 0.17 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3hp4 h SER 99 Cb 0.42 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3hp4 h SER 99 CO 0.01 -0.02 0.02 1.56 -0.53 0.00 0.00 176.83 177.88 3hp4 h GLN 100 N 0.03 0.91 0.00 2.24 4.20 -0.91 -1.14 115.11 120.44 3hp4 h GLN 100 Ca 0.06 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 3hp4 h GLN 100 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hp4 h GLN 100 CO -0.11 0.89 -0.18 0.00 -0.67 0.00 0.00 178.83 178.76 3hp4 h ALA 101 N 1.17 1.38 -0.24 3.87 0.00 -0.77 -0.00 119.26 124.67 3hp4 h ALA 101 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hp4 h ALA 101 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hp4 h ALA 101 CO 0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3hp4 n ALA 102 N -2.36 3.04 -2.33 0.00 0.00 -0.79 -4.90 120.51 113.17 3hp4 n ALA 102 Ca -0.02 -0.78 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 3hp4 n ALA 102 Cb 0.28 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3hp4 n ALA 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hp4 n ASN 103 N 0.27 -5.10 -4.68 0.00 5.15 -0.01 -4.93 115.26 105.96 3hp4 n ASN 103 Ca 0.11 -0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.73 3hp4 n ASN 103 Cb 0.62 -4.18 -0.09 0.00 -0.53 0.00 0.00 39.78 35.60 3hp4 n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hp4 s ALA 104 N -2.87 3.56 0.21 5.20 0.00 -0.49 -4.82 121.76 122.54 3hp4 s ALA 104 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3hp4 s ALA 104 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.93 3hp4 s ALA 104 CO 0.00 0.10 1.38 -1.64 0.00 0.00 0.00 175.76 175.60 3hp4 s MET 105 N 0.49 4.33 -0.05 0.00 -1.94 -0.28 -3.77 119.30 118.08 3hp4 s MET 105 Ca 0.06 2.16 0.06 0.00 -1.71 0.00 0.00 55.69 56.26 3hp4 s MET 105 Cb -0.12 -3.17 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 3hp4 s MET 105 CO -0.00 -0.35 -0.23 0.99 -0.01 0.00 0.00 175.02 175.42 3hp4 s THR 106 N 0.21 1.88 0.14 2.05 2.01 -1.26 -0.72 115.64 119.95 3hp4 s THR 106 Ca 0.59 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.72 3hp4 s THR 106 Cb -0.39 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3hp4 s THR 106 CO 0.39 0.53 -0.26 0.00 -0.69 0.00 0.00 174.62 174.58 3hp4 s ALA 107 N -0.19 2.37 -0.11 7.40 0.00 0.07 -1.61 121.76 129.69 3hp4 s ALA 107 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3hp4 s ALA 107 Cb -0.12 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3hp4 s ALA 107 CO 0.02 0.51 -0.10 -1.17 0.00 0.00 0.00 175.76 175.03 3hp4 s LEU 108 N -2.14 1.40 0.00 0.00 2.96 0.39 -0.82 118.68 120.48 3hp4 s LEU 108 Ca 0.15 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.43 3hp4 s LEU 108 Cb -0.10 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3hp4 s LEU 108 CO 0.06 -0.06 0.93 -0.32 -1.32 0.00 0.00 176.35 175.64 3hp4 s MET 109 N 1.38 4.55 0.40 1.98 -2.45 -0.08 -1.48 119.30 123.61 3hp4 s MET 109 Ca -0.00 1.32 -0.24 0.00 -1.25 0.00 0.00 55.69 55.52 3hp4 s MET 109 Cb -0.14 -3.45 -0.09 0.00 1.25 0.00 0.00 34.83 32.41 3hp4 s MET 109 CO -0.05 0.01 1.07 -1.21 1.05 0.00 0.00 175.02 175.89 3hp4 s GLU 110 N 0.82 4.13 0.02 4.11 2.02 -0.42 -4.74 118.70 124.64 3hp4 s GLU 110 Ca 0.49 1.56 0.08 0.00 0.02 0.00 0.00 54.97 57.12 3hp4 s GLU 110 Cb -0.21 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 3hp4 s GLU 110 CO 0.26 -0.18 -0.24 0.42 0.02 0.00 0.00 175.26 175.54 3hp4 s ILE 111 N -1.62 1.91 0.05 -1.63 -1.09 -1.26 -3.77 121.20 113.78 3hp4 s ILE 111 Ca 0.58 -1.19 0.09 0.00 -2.23 0.00 0.00 60.65 57.90 3hp4 s ILE 111 Cb -0.23 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.00 3hp4 s ILE 111 CO 0.29 0.39 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.82 3hp4 s TYR 112 N -0.70 2.27 0.11 3.97 2.02 -1.26 -4.34 117.35 119.42 3hp4 s TYR 112 Ca 0.10 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3hp4 s TYR 112 Cb -0.09 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3hp4 s TYR 112 CO 0.01 0.14 -0.13 0.96 -1.57 0.00 0.00 175.55 174.96 3hp4 s ILE 113 N -0.83 1.18 0.80 2.71 -4.36 -1.26 -5.00 121.20 114.45 3hp4 s ILE 113 Ca 0.12 -1.65 -0.11 0.00 -0.26 0.00 0.00 60.65 58.75 3hp4 s ILE 113 Cb -0.10 -1.43 0.08 0.00 1.25 0.00 0.00 42.46 42.26 3hp4 s ILE 113 CO 0.02 -0.44 1.11 -2.16 0.24 0.00 0.00 174.94 173.71 3hp4 s PRO 114 N -2.62 1.92 0.00 0.37 0.04 -1.26 -4.87 135.00 128.59 3hp4 s PRO 114 Ca 0.07 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 3hp4 s PRO 114 Cb -0.05 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.39 3hp4 s PRO 114 CO 0.02 -1.92 3.47 -0.35 0.04 0.00 0.00 177.00 178.26 3hp4 n PRO 115 N -3.63 1.90 0.30 0.56 -0.04 -1.26 -4.50 135.00 128.33 3hp4 n PRO 115 Ca 0.10 -0.93 0.19 0.00 -0.04 0.00 0.00 63.50 62.81 3hp4 n PRO 115 Cb 0.53 -1.95 0.91 0.00 -0.04 0.00 0.00 33.50 32.94 3hp4 n PRO 115 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3hp4 h ASN 116 N 3.05 0.00 0.00 3.54 2.35 -1.94 -1.13 115.58 121.45 3hp4 h ASN 116 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3hp4 h ASN 116 Cb 1.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.82 3hp4 h ASN 116 CO 0.23 0.03 -0.20 -1.22 -1.65 0.00 0.00 177.43 174.61 3hp4 n TYR 117 N -3.20 0.00 0.00 1.19 4.01 -1.26 -5.09 117.16 112.81 3hp4 n TYR 117 Ca -0.01 -1.19 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 3hp4 n TYR 117 Cb 0.20 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3hp4 n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hp4 n GLY 118 N -1.30 1.03 0.29 2.72 0.00 -0.43 -4.38 105.19 103.12 3hp4 n GLY 118 Ca 0.17 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.47 3hp4 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hp4 h PRO 119 N 0.00 0.48 -0.32 1.61 0.13 -1.96 -2.66 132.00 129.27 3hp4 h PRO 119 Ca 0.00 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3hp4 h PRO 119 Cb 0.00 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.03 3hp4 h PRO 119 CO 0.00 0.41 0.05 0.00 -0.23 0.00 0.00 178.00 178.23 3hp4 h ARG 120 N 0.47 0.53 -1.00 0.86 3.08 -1.98 -1.55 114.38 114.79 3hp4 h ARG 120 Ca 0.12 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3hp4 h ARG 120 Cb 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 3hp4 h ARG 120 CO -0.01 0.62 0.66 -0.92 -1.07 0.00 0.00 179.97 179.26 3hp4 h TYR 121 N 0.35 1.25 -0.68 3.04 3.20 -1.73 0.56 116.97 122.97 3hp4 h TYR 121 Ca 0.10 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 3hp4 h TYR 121 Cb 0.36 -0.42 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3hp4 h TYR 121 CO 0.02 0.77 0.32 0.77 -1.64 0.00 0.00 178.16 178.41 3hp4 h SER 122 N 1.33 0.87 -0.24 -2.11 0.02 -1.12 0.20 113.55 112.51 3hp4 h SER 122 Ca 0.38 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 3hp4 h SER 122 Cb -0.11 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.20 3hp4 h SER 122 CO -0.09 0.74 -0.55 0.11 -1.14 0.00 0.00 176.83 175.90 3hp4 h LYS 123 N 0.96 0.80 -0.66 3.45 1.57 -0.46 -1.00 116.57 121.23 3hp4 h LYS 123 Ca 0.24 -0.54 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3hp4 h LYS 123 Cb 0.11 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3hp4 h LYS 123 CO -0.03 1.16 0.36 0.52 -0.57 0.00 0.00 179.45 180.89 3hp4 h MET 124 N 0.55 0.65 0.28 3.15 2.86 -0.56 -0.75 114.93 121.11 3hp4 h MET 124 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3hp4 h MET 124 Cb 1.16 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3hp4 h MET 124 CO 0.12 0.43 -0.14 0.35 1.06 0.00 0.00 176.91 178.73 3hp4 h PHE 125 N 0.67 -0.35 -0.41 -0.22 3.57 -0.83 -2.44 116.94 116.93 3hp4 h PHE 125 Ca 0.30 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 3hp4 h PHE 125 Cb 0.20 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3hp4 h PHE 125 CO -0.08 -0.12 -0.29 1.15 -2.23 0.00 0.00 178.31 176.74 3hp4 h THR 126 N -0.53 1.27 0.00 4.41 2.02 -1.06 -2.46 112.91 116.56 3hp4 h THR 126 Ca -0.04 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 3hp4 h THR 126 Cb 0.39 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3hp4 h THR 126 CO 0.06 0.49 -0.08 0.77 0.37 0.00 0.00 175.52 177.13 3hp4 h SER 127 N 0.75 0.00 -0.97 4.18 4.64 -1.15 -2.50 113.55 118.48 3hp4 h SER 127 Ca 0.08 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.57 3hp4 h SER 127 Cb 0.85 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.84 3hp4 h SER 127 CO 0.07 0.08 0.58 0.28 -0.87 0.00 0.00 176.83 176.97 3hp4 h SER 128 N 0.00 0.77 -0.46 4.97 0.02 -0.93 -1.89 113.55 116.04 3hp4 h SER 128 Ca -0.00 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3hp4 h SER 128 Cb 0.38 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3hp4 h SER 128 CO 0.01 0.32 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.67 3hp4 h PHE 129 N 0.80 1.02 -0.48 3.45 0.04 -1.58 -0.62 116.94 119.56 3hp4 h PHE 129 Ca 0.53 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 3hp4 h PHE 129 Cb 0.74 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 3hp4 h PHE 129 CO -0.02 0.96 0.17 1.15 -0.60 0.00 0.00 178.31 179.97 3hp4 h THR 130 N 0.83 1.22 -0.67 -1.55 2.02 -1.50 -1.52 112.91 111.74 3hp4 h THR 130 Ca 0.14 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3hp4 h THR 130 Cb 0.62 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3hp4 h THR 130 CO 0.04 0.26 0.29 1.56 0.37 0.00 0.00 175.52 178.05 3hp4 h GLN 131 N 0.65 0.97 -0.53 6.66 4.20 -0.98 -1.03 115.11 125.04 3hp4 h GLN 131 Ca 0.16 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3hp4 h GLN 131 Cb 0.24 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3hp4 h GLN 131 CO -0.01 0.77 -0.06 0.82 -0.67 0.00 0.00 178.83 179.68 3hp4 h ILE 132 N 0.96 1.27 -0.73 2.54 2.04 -0.86 -1.26 117.51 121.47 3hp4 h ILE 132 Ca 0.23 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3hp4 h ILE 132 Cb 0.14 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3hp4 h ILE 132 CO -0.03 0.42 0.46 0.77 0.00 0.00 0.00 178.15 179.78 3hp4 h SER 133 N 0.84 0.85 -0.82 1.72 4.64 -0.81 -0.97 113.55 118.99 3hp4 h SER 133 Ca 0.14 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3hp4 h SER 133 Cb 0.61 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3hp4 h SER 133 CO 0.04 0.64 0.40 -0.33 -0.87 0.00 0.00 176.83 176.70 3hp4 h GLU 134 N 0.99 1.18 0.00 4.77 5.08 -0.79 0.24 114.58 126.04 3hp4 h GLU 134 Ca 0.26 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hp4 h GLU 134 Cb -0.08 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 3hp4 h GLU 134 CO -0.05 0.90 -0.01 0.22 -1.00 0.00 0.00 179.01 179.07 3hp4 h ASP 135 N 1.17 0.00 0.00 1.42 3.58 -0.58 -3.36 116.42 118.65 3hp4 h ASP 135 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3hp4 h ASP 135 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3hp4 h ASP 135 CO -0.04 0.01 -0.45 0.35 -2.88 0.00 0.00 179.24 176.24 3hp4 n THR 136 N -3.10 0.00 -1.08 2.25 -2.24 -0.43 -5.00 114.28 104.67 3hp4 n THR 136 Ca 0.04 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 3hp4 n THR 136 Cb 0.52 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 3hp4 n THR 136 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hp4 n ASN 137 N -1.17 -4.49 -4.71 3.42 5.15 0.82 -4.99 115.26 109.29 3hp4 n ASN 137 Ca 0.00 0.07 -0.39 0.00 -0.60 0.00 0.00 54.58 53.66 3hp4 n ASN 137 Cb 0.00 -2.23 0.04 0.00 -0.53 0.00 0.00 39.78 37.06 3hp4 n ASN 137 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hp4 n ALA 138 N 1.05 1.28 -2.56 5.20 0.00 -1.24 -4.94 120.51 119.29 3hp4 n ALA 138 Ca -0.03 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3hp4 n ALA 138 Cb 0.28 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.38 3hp4 n ALA 138 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hp4 s HIS 139 N -1.31 3.64 0.00 0.00 3.76 -0.63 -4.64 115.29 116.11 3hp4 s HIS 139 Ca 0.71 1.22 -0.27 0.00 -0.15 0.00 0.00 55.06 56.57 3hp4 s HIS 139 Cb -0.43 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 3hp4 s HIS 139 CO 0.50 0.24 0.85 -0.51 -0.85 0.00 0.00 174.74 174.97 3hp4 s LEU 140 N 0.20 4.39 0.09 0.89 1.43 -1.26 -0.46 118.68 123.96 3hp4 s LEU 140 Ca 0.33 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 55.02 3hp4 s LEU 140 Cb -0.18 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3hp4 s LEU 140 CO 0.18 -0.14 -0.19 -0.04 0.23 0.00 0.00 176.35 176.38 3hp4 s MET 141 N 0.60 1.84 0.45 1.70 -1.94 -0.55 -4.93 119.30 116.48 3hp4 s MET 141 Ca 0.44 -1.13 -0.25 0.00 -1.71 0.00 0.00 55.69 53.05 3hp4 s MET 141 Cb -0.20 -2.11 -0.08 0.00 2.01 0.00 0.00 34.83 34.45 3hp4 s MET 141 CO 0.24 0.50 1.38 1.21 -0.01 0.00 0.00 175.02 178.35 3hp4 s ASN 142 N -1.84 5.93 -0.11 3.03 2.47 -1.26 -1.30 114.94 121.86 3hp4 s ASN 142 Ca 0.16 2.82 -0.29 0.00 0.42 0.00 0.00 52.86 55.97 3hp4 s ASN 142 Cb -0.10 -2.65 -0.03 0.00 -1.45 0.00 0.00 41.25 37.02 3hp4 s ASN 142 CO 0.08 -1.13 1.39 0.12 -3.72 0.00 0.00 177.10 173.84 3hp4 s PHE 143 N -1.24 2.59 -0.66 0.43 5.36 -1.25 -4.74 117.98 118.48 3hp4 s PHE 143 Ca 0.61 0.75 0.21 0.00 -0.96 0.00 0.00 56.93 57.54 3hp4 s PHE 143 Cb -0.42 -3.64 0.86 0.00 -0.34 0.00 0.00 43.02 39.49 3hp4 s PHE 143 CO 0.53 -2.41 1.64 1.97 -1.46 0.00 0.00 175.22 175.48 3hp4 n PHE 144 N 6.59 0.54 0.54 10.12 1.16 -1.26 -2.55 117.46 132.60 3hp4 n PHE 144 Ca 0.15 0.21 0.13 0.00 -1.87 0.00 0.00 57.45 56.07 3hp4 n PHE 144 Cb 0.44 -0.84 0.37 0.00 -1.61 0.00 0.00 39.48 37.84 3hp4 n PHE 144 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3hp4 h MET 145 N 0.00 0.00 -0.95 3.97 2.86 -1.96 -3.37 114.93 115.49 3hp4 h MET 145 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3hp4 h MET 145 Cb 0.34 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 3hp4 h MET 145 CO 0.00 0.00 0.61 -0.07 1.06 0.00 0.00 176.91 178.51 3hp4 h LEU 146 N 0.00 0.92 -3.49 1.22 3.38 -1.91 -0.69 115.31 114.74 3hp4 h LEU 146 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hp4 h LEU 146 Cb 0.77 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3hp4 h LEU 146 CO 0.00 0.56 0.07 -0.90 0.09 0.00 0.00 178.44 178.25 3hp4 n ASP 147 N -4.53 4.55 -0.05 -0.43 5.75 -1.26 -4.34 116.55 116.24 3hp4 n ASP 147 Ca 0.16 -3.12 -0.10 0.00 -0.01 0.00 0.00 54.79 51.72 3hp4 n ASP 147 Cb 0.26 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.66 3hp4 n ASP 147 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3hp4 n ILE 148 N -0.16 0.58 0.28 2.12 2.08 -0.60 -4.80 119.36 118.87 3hp4 n ILE 148 Ca 0.30 -0.17 0.16 0.00 0.56 0.00 0.00 62.75 63.59 3hp4 n ILE 148 Cb 1.13 -1.37 0.84 0.00 -0.75 0.00 0.00 39.64 39.49 3hp4 n ILE 148 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hp4 h ALA 149 N -0.25 1.21 -0.01 -1.39 0.00 -1.36 -1.52 119.26 115.93 3hp4 h ALA 149 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hp4 h ALA 149 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hp4 h ALA 149 CO -0.12 0.08 -0.01 0.41 0.00 0.00 0.00 179.25 179.61 3hp4 n GLY 150 N -0.72 -0.46 3.31 0.00 0.00 -1.26 -4.73 105.19 101.33 3hp4 n GLY 150 Ca -0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3hp4 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hp4 s LYS 151 N -2.04 2.72 0.47 1.61 3.01 -0.57 -4.98 119.74 119.95 3hp4 s LYS 151 Ca 0.41 -1.40 0.20 0.00 -1.01 0.00 0.00 55.97 54.17 3hp4 s LYS 151 Cb 0.21 -3.87 1.16 0.00 -1.01 0.00 0.00 37.83 34.33 3hp4 s LYS 151 CO 0.36 -0.95 2.01 0.66 0.51 0.00 0.00 175.35 177.94 3hp4 h SER 152 N 8.50 0.00 0.39 2.83 4.64 -1.85 -0.48 113.55 127.58 3hp4 h SER 152 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hp4 h SER 152 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hp4 h SER 152 CO 0.78 0.18 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 3hp4 n ASP 153 N -4.00 0.00 -0.54 4.97 5.75 -1.26 -2.51 116.55 118.96 3hp4 n ASP 153 Ca -0.02 0.16 0.07 0.00 -0.01 0.00 0.00 54.79 54.99 3hp4 n ASP 153 Cb 0.26 -0.34 0.06 0.00 -1.03 0.00 0.00 41.12 40.07 3hp4 n ASP 153 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hp4 n LEU 154 N -1.34 2.16 -4.42 -2.12 4.77 -0.19 -4.79 117.00 111.07 3hp4 n LEU 154 Ca 0.07 -1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 3hp4 n LEU 154 Cb 0.15 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3hp4 n LEU 154 CO 0.14 0.41 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.04 3hp4 s MET 155 N -1.10 1.74 0.74 3.23 -1.94 -1.04 -1.12 119.30 119.80 3hp4 s MET 155 Ca 0.16 -1.17 -0.11 0.00 -1.71 0.00 0.00 55.69 52.86 3hp4 s MET 155 Cb 0.11 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.95 3hp4 s MET 155 CO 0.17 0.49 1.07 -0.65 -0.01 0.00 0.00 175.02 176.09 3hp4 s GLN 156 N -1.76 2.56 0.39 2.03 -0.21 -0.01 -4.66 119.66 118.00 3hp4 s GLN 156 Ca 0.15 0.98 0.24 0.00 0.02 0.00 0.00 55.36 56.75 3hp4 s GLN 156 Cb -0.10 -1.95 1.39 0.00 1.00 0.00 0.00 33.01 33.35 3hp4 s GLN 156 CO 0.06 -1.37 1.57 0.09 -2.12 0.00 0.00 175.29 173.52 3hp4 n ASN 157 N -3.32 0.31 0.00 5.90 3.02 -1.26 -0.53 115.26 119.39 3hp4 n ASN 157 Ca 0.08 1.59 0.08 0.00 -0.03 0.00 0.00 54.58 56.30 3hp4 n ASN 157 Cb 0.54 -0.78 0.46 0.00 -0.61 0.00 0.00 39.78 39.39 3hp4 n ASN 157 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hp4 n ASP 158 N -5.12 0.00 0.00 6.41 5.68 -1.26 -4.86 116.55 117.40 3hp4 n ASP 158 Ca 0.39 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 3hp4 n ASP 158 Cb 1.36 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 3hp4 n ASP 158 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hp4 n SER 159 N -1.14 -5.66 -0.07 -1.12 7.64 0.32 -4.73 113.62 108.87 3hp4 n SER 159 Ca 0.10 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.88 3hp4 n SER 159 Cb 0.09 -3.41 -0.06 0.00 -1.01 0.00 0.00 64.21 59.82 3hp4 n SER 159 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hp4 n LEU 160 N 0.00 2.32 -4.64 -3.43 4.77 -1.26 -4.99 117.00 109.77 3hp4 n LEU 160 Ca 0.00 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 3hp4 n LEU 160 Cb 0.47 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 3hp4 n LEU 160 CO 0.00 0.57 -0.28 -1.00 -1.33 0.00 0.00 177.39 175.35 3hp4 s HIS 161 N -2.25 3.20 0.68 -1.77 3.76 -1.26 -5.00 115.29 112.64 3hp4 s HIS 161 Ca -0.18 0.07 -0.16 0.00 -0.15 0.00 0.00 55.06 54.64 3hp4 s HIS 161 Cb 0.05 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.81 3hp4 s HIS 161 CO 0.28 0.27 1.21 -1.25 -0.85 0.00 0.00 174.74 174.39 3hp4 s PRO 162 N -0.16 2.47 0.04 8.40 0.04 -1.26 -0.83 135.00 143.70 3hp4 s PRO 162 Ca 0.06 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.88 3hp4 s PRO 162 Cb -0.12 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3hp4 s PRO 162 CO 0.02 -1.59 0.06 0.27 0.04 0.00 0.00 177.00 175.80 3hp4 n ASN 163 N -2.29 0.14 -0.16 6.66 0.23 -0.27 -4.59 115.26 114.98 3hp4 n ASN 163 Ca 0.13 -1.10 -0.03 0.00 -0.53 0.00 0.00 54.58 53.05 3hp4 n ASN 163 Cb 0.50 -0.03 0.19 0.00 -2.08 0.00 0.00 39.78 38.36 3hp4 n ASN 163 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3hp4 h LYS 164 N 0.00 0.88 0.00 -3.83 3.64 -1.93 -2.47 116.57 112.86 3hp4 h LYS 164 Ca -0.02 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 3hp4 h LYS 164 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3hp4 h LYS 164 CO 0.03 0.75 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.49 3hp4 h LYS 165 N 0.86 0.00 0.00 1.90 3.64 -1.89 -1.88 116.57 119.21 3hp4 h LYS 165 Ca 0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3hp4 h LYS 165 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hp4 h LYS 165 CO -0.01 0.24 -0.21 0.00 -2.27 0.00 0.00 179.45 177.20 3hp4 h ALA 166 N 1.76 1.16 -0.50 5.00 0.00 -1.63 -3.36 119.26 121.69 3hp4 h ALA 166 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hp4 h ALA 166 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hp4 h ALA 166 CO 0.03 0.27 0.14 1.96 0.00 0.00 0.00 179.25 181.65 3hp4 h GLN 167 N 0.00 0.78 -0.26 0.00 1.08 -1.35 -1.03 115.11 114.33 3hp4 h GLN 167 Ca -0.00 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 3hp4 h GLN 167 Cb 0.58 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3hp4 h GLN 167 CO 0.03 0.74 0.05 -1.35 -0.95 0.00 0.00 178.83 177.35 3hp4 h PRO 168 N 0.67 0.37 -0.26 1.46 0.11 -1.76 0.37 132.00 132.97 3hp4 h PRO 168 Ca 0.16 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3hp4 h PRO 168 Cb 0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hp4 h PRO 168 CO -0.00 0.36 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.02 3hp4 h LEU 169 N 0.37 0.49 -0.77 2.35 3.38 -1.58 -1.91 115.31 117.64 3hp4 h LEU 169 Ca 0.09 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3hp4 h LEU 169 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hp4 h LEU 169 CO -0.00 0.74 0.24 0.40 0.09 0.00 0.00 178.44 179.91 3hp4 h ILE 170 N 0.24 1.26 -0.54 1.22 2.04 -0.88 -1.77 117.51 119.08 3hp4 h ILE 170 Ca 0.07 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3hp4 h ILE 170 Cb 0.52 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 3hp4 h ILE 170 CO 0.02 0.36 0.15 -0.09 0.00 0.00 0.00 178.15 178.59 3hp4 h ARG 171 N 1.12 0.30 -0.18 2.37 2.43 -0.77 0.66 114.38 120.31 3hp4 h ARG 171 Ca 0.24 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3hp4 h ARG 171 Cb 0.30 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hp4 h ARG 171 CO -0.01 0.20 -0.55 -0.44 -1.51 0.00 0.00 179.97 177.66 3hp4 h ASP 172 N 0.31 0.59 -0.21 -3.80 3.32 -0.93 0.14 116.42 115.83 3hp4 h ASP 172 Ca 0.27 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hp4 h ASP 172 Cb 0.34 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3hp4 h ASP 172 CO -0.31 1.02 0.04 -0.33 -1.72 0.00 0.00 179.24 177.94 3hp4 h GLU 173 N 0.41 0.12 -0.15 3.56 5.08 -0.67 -2.32 114.58 120.61 3hp4 h GLU 173 Ca 0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3hp4 h GLU 173 Cb 1.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3hp4 h GLU 173 CO 0.10 0.08 -0.48 0.52 -1.00 0.00 0.00 179.01 178.24 3hp4 h MET 174 N 0.13 0.39 -0.54 2.33 2.86 -0.53 -0.29 114.93 119.28 3hp4 h MET 174 Ca 0.09 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3hp4 h MET 174 Cb 0.09 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3hp4 h MET 174 CO -0.12 0.78 0.23 -0.92 1.06 0.00 0.00 176.91 177.94 3hp4 h TYR 175 N 0.31 0.41 -0.29 -0.22 3.20 -0.60 0.46 116.97 120.24 3hp4 h TYR 175 Ca 0.02 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3hp4 h TYR 175 Cb 0.96 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3hp4 h TYR 175 CO 0.03 0.16 -0.20 0.22 -1.64 0.00 0.00 178.16 176.72 3hp4 h ASP 176 N 0.44 0.68 -0.73 -2.11 3.58 -0.83 -1.20 116.42 116.25 3hp4 h ASP 176 Ca 0.25 -0.44 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 3hp4 h ASP 176 Cb 0.24 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 3hp4 h ASP 176 CO -0.22 0.97 0.23 0.28 -2.88 0.00 0.00 179.24 177.62 3hp4 h SER 177 N 0.39 1.07 -0.43 2.28 0.02 -0.85 -1.24 113.55 114.79 3hp4 h SER 177 Ca 0.06 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 3hp4 h SER 177 Cb 0.75 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3hp4 h SER 177 CO 0.05 1.00 -0.19 0.40 -1.14 0.00 0.00 176.83 176.95 3hp4 h ILE 178 N 1.10 1.28 -0.54 3.27 2.04 -0.88 -0.82 117.51 122.96 3hp4 h ILE 178 Ca 0.24 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 3hp4 h ILE 178 Cb 0.31 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3hp4 h ILE 178 CO -0.01 0.45 0.28 0.50 0.00 0.00 0.00 178.15 179.37 3hp4 h LYS 179 N 0.72 0.77 -0.61 2.37 3.64 -1.00 -0.53 116.57 121.92 3hp4 h LYS 179 Ca 0.10 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3hp4 h LYS 179 Cb 0.75 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3hp4 h LYS 179 CO 0.06 0.61 0.11 0.87 -2.27 0.00 0.00 179.45 178.83 3hp4 h LYS 180 N 0.73 0.99 -0.26 1.90 1.57 -1.06 -1.43 116.57 119.02 3hp4 h LYS 180 Ca 0.19 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hp4 h LYS 180 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hp4 h LYS 180 CO -0.03 0.91 0.15 2.35 -0.57 0.00 0.00 179.45 182.26 3hp4 h TRP 181 N 0.94 0.35 0.00 -1.35 7.01 -0.66 0.22 115.95 122.45 3hp4 h TRP 181 Ca 0.19 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.19 3hp4 h TRP 181 Cb 0.40 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 3hp4 h TRP 181 CO 0.03 0.28 0.00 1.28 -2.79 0.00 0.00 178.44 177.24 3hp4 n LEU 182 N -4.86 0.40 0.04 0.65 4.77 -0.25 -0.48 117.00 117.28 3hp4 n LEU 182 Ca -0.02 0.54 0.01 0.00 -0.03 0.00 0.00 56.01 56.51 3hp4 n LEU 182 Cb 0.06 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3hp4 n LEU 182 CO 0.35 -0.13 -0.26 0.59 -1.33 0.00 0.00 177.39 176.61 3hp4 n ASN 183 N -1.88 0.87 0.00 -1.43 5.03 -0.56 -5.09 115.26 112.20 3hp4 n ASN 183 Ca 0.06 0.38 0.10 0.00 0.87 0.00 0.00 54.58 55.99 3hp4 n ASN 183 Cb 0.37 0.17 0.61 0.00 -1.02 0.00 0.00 39.78 39.90 3hp4 n ASN 183 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02