#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eal h PHE 2 N 0.00 -0.34 -6.79 0.00 -1.00 -2.00 -3.47 116.94 103.34 1eal h PHE 2 Ca 0.00 -0.01 -0.51 0.00 2.81 0.00 0.00 57.97 60.26 1eal h PHE 2 Cb 0.00 0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 1eal h PHE 2 CO 0.00 -0.21 -1.08 0.25 -1.61 0.00 0.00 178.31 175.65 1eal n THR 3 N -3.98 -3.06 -3.80 -1.55 -2.24 -1.26 -4.89 114.28 93.50 1eal n THR 3 Ca -0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1eal n THR 3 Cb 0.15 -2.71 0.00 0.00 -2.10 0.00 0.00 70.33 65.67 1eal n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1eal n GLY 4 N -1.70 0.69 3.37 3.38 0.00 -1.17 -5.03 105.19 104.72 1eal n GLY 4 Ca -0.29 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1eal n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 5 N -2.00 1.39 -0.11 1.61 1.02 -1.26 -2.21 119.74 118.17 1eal s LYS 5 Ca 0.06 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 1eal s LYS 5 Cb -0.00 -1.48 0.04 0.00 -0.52 0.00 0.00 37.83 35.87 1eal s LYS 5 CO 0.00 0.30 0.26 0.71 -0.92 0.00 0.00 175.35 175.70 1eal s TYR 6 N -2.13 -0.35 -0.04 3.18 1.51 0.06 -3.53 117.35 116.05 1eal s TYR 6 Ca 0.20 0.81 -0.08 0.00 -1.01 0.00 0.00 57.07 56.99 1eal s TYR 6 Cb -0.06 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 41.83 1eal s TYR 6 CO 0.09 -0.23 0.24 -2.00 -1.11 0.00 0.00 175.55 172.54 1eal s GLU 7 N 1.07 3.58 0.48 -0.62 2.12 -0.09 -0.08 118.70 125.15 1eal s GLU 7 Ca -0.08 -0.01 -0.24 0.00 0.36 0.00 0.00 54.97 55.00 1eal s GLU 7 Cb -0.09 -3.15 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1eal s GLU 7 CO -0.07 0.71 1.36 -1.50 -0.54 0.00 0.00 175.26 175.22 1eal s ILE 8 N -1.16 2.23 -0.16 -3.70 2.07 -1.15 0.88 121.20 120.20 1eal s ILE 8 Ca 0.22 0.19 -0.14 0.00 -1.41 0.00 0.00 60.65 59.51 1eal s ILE 8 Cb -0.13 -3.10 -0.05 0.00 0.13 0.00 0.00 42.46 39.30 1eal s ILE 8 CO 0.11 0.01 -0.25 1.21 -1.91 0.00 0.00 174.94 174.11 1eal n GLU 9 N -0.49 0.49 -2.67 3.50 0.00 -0.90 -4.59 120.64 115.99 1eal n GLU 9 Ca 0.07 0.37 -0.04 0.00 0.00 0.00 0.00 57.16 57.56 1eal n GLU 9 Cb 0.44 -1.57 0.07 0.00 0.00 0.00 0.00 31.44 30.38 1eal n GLU 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1eal n SER 10 N -4.53 -1.39 -4.64 4.31 2.88 -1.26 -5.02 113.62 103.98 1eal n SER 10 Ca -0.12 -1.68 -0.30 0.00 -1.33 0.00 0.00 58.87 55.44 1eal n SER 10 Cb 0.41 0.76 0.18 0.00 -0.75 0.00 0.00 64.21 64.81 1eal n SER 10 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1eal s GLU 11 N 0.30 0.57 0.19 -1.46 4.04 -1.26 -4.82 118.70 116.26 1eal s GLU 11 Ca 0.26 1.10 0.01 0.00 0.04 0.00 0.00 54.97 56.38 1eal s GLU 11 Cb 0.19 -1.71 -0.05 0.00 0.02 0.00 0.00 34.13 32.59 1eal s GLU 11 CO -0.09 -2.79 0.05 0.15 -1.84 0.00 0.00 175.26 170.74 1eal s LYS 12 N -4.69 1.16 -1.75 -4.83 -0.14 -1.26 -4.88 119.74 103.35 1eal s LYS 12 Ca 0.66 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 1eal s LYS 12 Cb -0.22 -0.08 0.00 0.00 -1.68 0.00 0.00 37.83 35.85 1eal s LYS 12 CO 0.60 -0.23 0.00 0.09 -0.76 0.00 0.00 175.35 175.04 1eal n ASN 13 N -0.27 -5.11 -0.09 2.83 4.13 -1.26 -4.81 115.26 110.67 1eal n ASN 13 Ca -0.04 0.23 -0.13 0.00 1.68 0.00 0.00 54.58 56.33 1eal n ASN 13 Cb 0.64 -4.41 -0.04 0.00 -1.54 0.00 0.00 39.78 34.44 1eal n ASN 13 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1eal h TYR 14 N 0.00 0.77 -0.13 3.10 -0.00 -1.97 -1.81 116.97 116.93 1eal h TYR 14 Ca -0.41 -0.22 0.03 0.00 0.00 0.00 0.00 58.73 58.14 1eal h TYR 14 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 36.73 37.80 1eal h TYR 14 CO 0.56 0.93 -0.07 -0.44 -0.00 0.00 0.00 178.16 179.14 1eal h ASP 15 N 0.39 -0.22 -0.51 0.10 5.19 -1.95 0.27 116.42 119.70 1eal h ASP 15 Ca 0.05 0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1eal h ASP 15 Cb 0.77 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 1eal h ASP 15 CO 0.06 -0.09 -0.17 -0.08 -3.12 0.00 0.00 179.24 175.83 1eal h GLU 16 N -0.06 1.02 -0.08 3.56 4.81 -1.94 0.36 114.58 122.25 1eal h GLU 16 Ca 0.07 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1eal h GLU 16 Cb 0.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1eal h GLU 16 CO -0.17 1.10 -0.01 0.35 -0.73 0.00 0.00 179.01 179.55 1eal h PHE 17 N 0.88 0.15 -0.31 0.92 3.04 -1.10 -1.24 116.94 119.29 1eal h PHE 17 Ca 0.12 -0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.92 1eal h PHE 17 Cb 0.75 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1eal h PHE 17 CO 0.05 0.42 -0.33 1.98 -2.02 0.00 0.00 178.31 178.42 1eal h MET 18 N -0.16 0.67 -0.86 1.11 4.05 -0.34 -0.63 114.93 118.77 1eal h MET 18 Ca 0.02 -0.31 0.08 0.00 -0.28 0.00 0.00 59.70 59.22 1eal h MET 18 Cb 0.37 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 1eal h MET 18 CO 0.00 0.90 0.56 -0.22 0.23 0.00 0.00 176.91 178.39 1eal h LYS 19 N 0.56 0.86 -0.67 0.39 3.11 -0.24 0.39 116.57 120.97 1eal h LYS 19 Ca 0.06 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.81 1eal h LYS 19 Cb 0.83 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 1eal h LYS 19 CO 0.07 0.57 0.26 -0.09 -2.81 0.00 0.00 179.45 177.45 1eal h ARG 20 N 0.89 1.01 -0.51 1.90 2.43 0.13 0.45 114.38 120.68 1eal h ARG 20 Ca 0.39 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1eal h ARG 20 Cb 0.33 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1eal h ARG 20 CO -0.15 0.85 0.34 -0.07 -1.51 0.00 0.00 179.97 179.42 1eal h LEU 21 N 0.96 0.58 0.00 3.80 4.07 -0.84 -3.48 115.31 120.40 1eal h LEU 21 Ca 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1eal h LEU 21 Cb 0.22 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1eal h LEU 21 CO -0.02 0.42 0.00 0.00 -1.08 0.00 0.00 178.44 177.76 1eal n ALA 22 N -2.24 0.00 -1.50 1.53 0.00 0.13 -5.10 120.51 113.33 1eal n ALA 22 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1eal n ALA 22 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1eal n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1eal n LEU 23 N 0.00 -1.25 -4.60 0.00 4.77 -1.26 -4.45 117.00 110.21 1eal n LEU 23 Ca 0.00 2.57 -0.29 0.00 -0.03 0.00 0.00 56.01 58.25 1eal n LEU 23 Cb 0.00 -3.13 0.20 0.00 -2.33 0.00 0.00 43.42 38.16 1eal n LEU 23 CO 0.00 -1.70 0.60 -2.16 -1.33 0.00 0.00 177.39 172.80 1eal s PRO 24 N -4.73 0.17 0.32 3.23 0.04 -1.26 -4.90 135.00 127.87 1eal s PRO 24 Ca 0.00 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.11 1eal s PRO 24 Cb 0.00 -1.67 0.53 0.00 0.04 0.00 0.00 34.50 33.40 1eal s PRO 24 CO 0.00 -3.04 1.79 0.66 0.04 0.00 0.00 177.00 176.44 1eal h SER 25 N -2.14 0.40 -0.52 6.66 4.64 -2.01 -2.49 113.55 118.09 1eal h SER 25 Ca -0.53 -0.12 0.10 0.00 -0.47 0.00 0.00 61.79 60.78 1eal h SER 25 Cb 1.30 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 63.18 1eal h SER 25 CO 0.49 0.61 -0.17 0.44 -0.87 0.00 0.00 176.83 177.33 1eal h ASP 26 N 0.37 -0.62 -0.97 4.97 3.32 -1.99 0.72 116.42 122.22 1eal h ASP 26 Ca 0.06 0.17 0.14 0.00 0.02 0.00 0.00 57.03 57.43 1eal h ASP 26 Cb 0.56 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 1eal h ASP 26 CO 0.04 -0.21 0.59 0.00 -1.72 0.00 0.00 179.24 177.94 1eal h ALA 27 N 1.40 1.51 -0.14 3.45 0.00 -1.79 0.46 119.26 124.14 1eal h ALA 27 Ca 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1eal h ALA 27 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1eal h ALA 27 CO -0.56 0.09 0.07 0.82 0.00 0.00 0.00 179.25 179.67 1eal h ILE 28 N 0.86 1.13 -0.43 0.00 2.04 -0.93 -0.33 117.51 119.85 1eal h ILE 28 Ca 0.51 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 1eal h ILE 28 Cb 0.63 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1eal h ILE 28 CO -0.31 0.12 0.03 0.44 0.00 0.00 0.00 178.15 178.43 1eal h ASP 29 N 0.10 0.63 -0.30 1.72 5.19 0.48 -2.16 116.42 122.08 1eal h ASP 29 Ca 0.05 -0.13 -0.14 0.00 -0.62 0.00 0.00 57.03 56.19 1eal h ASP 29 Cb 0.14 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 1eal h ASP 29 CO -0.01 0.69 -0.36 0.11 -3.12 0.00 0.00 179.24 176.55 1eal h LYS 30 N 0.64 0.77 -0.48 3.56 1.79 0.09 -2.87 116.57 120.07 1eal h LYS 30 Ca 0.13 -0.43 0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1eal h LYS 30 Cb 0.36 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 1eal h LYS 30 CO 0.01 1.05 0.15 0.00 -1.08 0.00 0.00 179.45 179.58 1eal h ALA 31 N 0.70 0.58 -2.94 3.86 0.00 -0.89 -3.32 119.26 117.25 1eal h ALA 31 Ca 0.04 0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.47 1eal h ALA 31 Cb 0.94 0.07 0.16 0.00 0.00 0.00 0.00 17.79 18.95 1eal h ALA 31 CO 0.09 -0.25 0.47 0.50 0.00 0.00 0.00 179.25 180.06 1eal s ARG 32 N -6.13 2.39 0.00 0.00 3.52 -0.83 -2.95 118.95 114.95 1eal s ARG 32 Ca -0.13 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 1eal s ARG 32 Cb 0.15 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.70 1eal s ARG 32 CO 0.73 -1.69 0.00 0.09 -0.81 0.00 0.00 175.30 173.61 1eal n ASN 33 N -2.20 0.00 -4.80 -2.12 3.02 -1.26 -4.91 115.26 102.99 1eal n ASN 33 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.37 1eal n ASN 33 Cb 0.49 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1eal n ASN 33 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1eal s LEU 34 N 0.00 3.53 -0.23 3.41 1.02 -1.15 -5.04 118.68 120.22 1eal s LEU 34 Ca 0.00 1.87 0.01 0.00 0.02 0.00 0.00 54.13 56.03 1eal s LEU 34 Cb 0.00 -4.54 0.06 0.00 0.02 0.00 0.00 46.19 41.73 1eal s LEU 34 CO 0.00 -1.20 -0.06 -0.54 0.02 0.00 0.00 176.35 174.58 1eal s LYS 35 N -3.95 1.62 0.35 1.70 3.01 -1.26 -4.97 119.74 116.24 1eal s LYS 35 Ca 0.65 -0.93 -0.28 0.00 -1.01 0.00 0.00 55.97 54.40 1eal s LYS 35 Cb -0.17 -2.53 -0.09 0.00 -1.01 0.00 0.00 37.83 34.03 1eal s LYS 35 CO 0.35 -0.57 1.22 0.42 0.51 0.00 0.00 175.35 177.28 1eal s ILE 36 N 1.42 3.00 -0.49 2.17 1.01 -1.26 -4.40 121.20 122.65 1eal s ILE 36 Ca -0.05 0.95 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 1eal s ILE 36 Cb -0.18 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.81 1eal s ILE 36 CO -0.06 0.18 0.41 -0.63 0.00 0.00 0.00 174.94 174.84 1eal s ILE 37 N -1.23 4.84 0.63 2.92 -1.09 -0.65 -2.95 121.20 123.67 1eal s ILE 37 Ca 0.51 -1.46 -0.13 0.00 -2.23 0.00 0.00 60.65 57.33 1eal s ILE 37 Cb -0.35 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1eal s ILE 37 CO 0.46 -0.73 1.05 -0.55 -1.23 0.00 0.00 174.94 173.94 1eal s SER 38 N 2.95 5.66 -0.24 3.58 0.15 0.88 -2.27 113.70 124.41 1eal s SER 38 Ca 0.04 1.71 -0.26 0.00 0.70 0.00 0.00 55.95 58.14 1eal s SER 38 Cb -0.27 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.60 1eal s SER 38 CO 0.03 -1.25 0.74 -0.70 1.20 0.00 0.00 173.24 173.25 1eal s GLU 39 N -4.52 0.84 0.14 5.44 2.12 -0.84 -0.76 118.70 121.12 1eal s GLU 39 Ca 0.61 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 56.74 1eal s GLU 39 Cb -0.15 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 1eal s GLU 39 CO 0.45 -0.13 0.21 0.14 -0.54 0.00 0.00 175.26 175.39 1eal s VAL 40 N 0.16 0.09 -0.24 3.70 -7.23 -0.94 0.17 120.40 116.10 1eal s VAL 40 Ca -0.01 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.51 1eal s VAL 40 Cb -0.04 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.15 1eal s VAL 40 CO 0.02 -0.40 0.60 -0.75 -0.31 0.00 0.00 175.10 174.25 1eal s LYS 41 N -3.97 0.62 0.41 4.82 2.47 -0.30 -3.06 119.74 120.73 1eal s LYS 41 Ca 0.17 1.05 -0.19 0.00 -1.56 0.00 0.00 55.97 55.44 1eal s LYS 41 Cb 0.05 0.12 -0.10 0.00 -1.46 0.00 0.00 37.83 36.44 1eal s LYS 41 CO -0.01 -0.14 0.90 -0.65 0.16 0.00 0.00 175.35 175.61 1eal s GLN 42 N 1.39 4.16 -0.37 4.03 -0.21 -1.26 -0.59 119.66 126.80 1eal s GLN 42 Ca -0.08 1.00 0.13 0.00 0.02 0.00 0.00 55.36 56.42 1eal s GLN 42 Cb -0.06 -2.24 0.39 0.00 1.00 0.00 0.00 33.01 32.11 1eal s GLN 42 CO -0.15 -0.00 0.85 -3.47 -2.12 0.00 0.00 175.29 170.40 1eal n ASP 43 N -0.64 1.59 -1.68 5.90 2.03 0.42 -4.88 116.55 119.29 1eal n ASP 43 Ca 0.06 -3.01 -0.00 0.00 0.52 0.00 0.00 54.79 52.36 1eal n ASP 43 Cb 0.54 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1eal n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1eal n GLY 44 N 0.07 -0.54 3.82 0.27 0.00 -1.26 -4.19 105.19 103.36 1eal n GLY 44 Ca 0.21 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1eal n GLY 44 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1eal n GLN 45 N -0.88 -3.45 -3.19 1.61 7.27 -1.26 -4.96 117.38 112.51 1eal n GLN 45 Ca 0.01 0.49 0.01 0.00 0.07 0.00 0.00 57.00 57.57 1eal n GLN 45 Cb 0.35 -4.68 -0.02 0.00 2.41 0.00 0.00 30.24 28.30 1eal n GLN 45 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1eal s ASN 46 N -4.21 -1.05 -0.66 1.69 2.47 -1.26 -4.16 114.94 107.75 1eal s ASN 46 Ca 0.08 0.33 -0.23 0.00 0.42 0.00 0.00 52.86 53.47 1eal s ASN 46 Cb -0.03 1.84 0.07 0.00 -1.45 0.00 0.00 41.25 41.68 1eal s ASN 46 CO 0.86 -0.30 0.98 -0.36 -3.72 0.00 0.00 177.10 174.56 1eal s PHE 47 N 2.77 2.66 -0.79 0.43 0.40 0.86 -0.44 117.98 123.88 1eal s PHE 47 Ca 0.14 -0.54 -0.25 0.00 -0.60 0.00 0.00 56.93 55.67 1eal s PHE 47 Cb -0.13 -4.31 -0.03 0.00 0.51 0.00 0.00 43.02 39.07 1eal s PHE 47 CO -0.24 -1.66 1.86 0.99 0.70 0.00 0.00 175.22 176.87 1eal s THR 48 N 4.11 3.44 0.32 0.64 2.01 0.24 -2.05 115.64 124.35 1eal s THR 48 Ca 0.23 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 1eal s THR 48 Cb -0.16 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 1eal s THR 48 CO 0.10 -1.01 0.61 0.86 -0.69 0.00 0.00 174.62 174.49 1eal s TRP 49 N 9.28 3.47 0.08 4.92 -0.11 -1.23 -1.15 118.94 134.21 1eal s TRP 49 Ca 0.66 0.77 -0.15 0.00 1.22 0.00 0.00 56.10 58.60 1eal s TRP 49 Cb -0.09 -2.21 0.03 0.00 -1.50 0.00 0.00 33.47 29.70 1eal s TRP 49 CO 0.08 0.10 0.35 -1.12 -4.62 0.00 0.00 176.95 171.73 1eal s SER 50 N -3.12 -0.16 -0.42 5.86 0.01 0.13 -1.35 113.70 114.66 1eal s SER 50 Ca 0.46 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1eal s SER 50 Cb -0.11 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.68 1eal s SER 50 CO 0.30 -0.74 0.26 -1.10 0.41 0.00 0.00 173.24 172.36 1eal s GLN 51 N -3.28 1.01 -0.74 12.44 -0.21 -0.44 -1.99 119.66 126.45 1eal s GLN 51 Ca -0.00 -1.84 -0.25 0.00 0.02 0.00 0.00 55.36 53.29 1eal s GLN 51 Cb 0.01 -1.85 0.05 0.00 1.00 0.00 0.00 33.01 32.22 1eal s GLN 51 CO -0.08 -1.22 1.19 -0.65 -2.12 0.00 0.00 175.29 172.41 1eal s GLN 52 N 0.48 3.21 0.45 2.91 -0.21 -0.96 -2.56 119.66 122.97 1eal s GLN 52 Ca 0.21 -0.53 -0.25 0.00 0.02 0.00 0.00 55.36 54.81 1eal s GLN 52 Cb -0.18 -4.30 -0.08 0.00 1.00 0.00 0.00 33.01 29.45 1eal s GLN 52 CO -0.04 -2.04 1.35 0.71 -2.12 0.00 0.00 175.29 173.15 1eal s TYR 53 N 5.08 2.60 0.32 0.91 1.51 -1.25 -1.64 117.35 124.88 1eal s TYR 53 Ca 0.32 1.35 0.10 0.00 -1.01 0.00 0.00 57.07 57.83 1eal s TYR 53 Cb -0.10 -3.77 0.89 0.00 -0.11 0.00 0.00 41.96 38.87 1eal s TYR 53 CO 0.11 -2.51 1.74 -1.35 -1.11 0.00 0.00 175.55 172.43 1eal h PRO 54 N 2.31 0.57 0.00 -1.71 0.11 -1.84 -3.43 132.00 128.01 1eal h PRO 54 Ca -0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1eal h PRO 54 Cb 1.26 -0.13 0.05 0.00 0.11 0.00 0.00 31.00 32.29 1eal h PRO 54 CO 0.61 0.38 0.03 0.41 -0.21 0.00 0.00 178.00 179.22 1eal n GLY 55 N -1.33 -2.48 0.40 -0.55 0.00 -1.26 -4.86 105.19 95.11 1eal n GLY 55 Ca 0.26 -1.47 0.19 0.00 0.00 0.00 0.00 46.02 45.01 1eal n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1eal h GLY 56 N -1.03 0.61 -2.50 -0.02 0.00 -2.03 -3.41 103.07 94.68 1eal h GLY 56 Ca -0.10 -0.14 -0.57 0.00 0.00 0.00 0.00 47.33 46.52 1eal h GLY 56 CO 0.07 0.02 0.14 1.42 0.00 0.00 0.00 176.54 178.18 1eal n HIS 57 N -4.46 0.83 -3.01 5.60 8.25 -1.26 -5.00 115.22 116.18 1eal n HIS 57 Ca 0.16 0.42 0.03 0.00 -0.26 0.00 0.00 57.72 58.08 1eal n HIS 57 Cb 0.66 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.63 1eal n HIS 57 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1eal s SER 58 N -1.33 -0.78 0.45 0.41 1.04 -1.26 -3.87 113.70 108.36 1eal s SER 58 Ca 0.77 -0.20 -0.23 0.00 0.48 0.00 0.00 55.95 56.76 1eal s SER 58 Cb -0.40 1.18 -0.08 0.00 0.10 0.00 0.00 66.02 66.82 1eal s SER 58 CO 0.46 -0.11 1.12 -0.63 0.98 0.00 0.00 173.24 175.07 1eal s ILE 59 N 2.30 3.31 0.01 -1.02 1.09 -1.06 -4.87 121.20 120.96 1eal s ILE 59 Ca 0.18 0.97 0.07 0.00 -1.10 0.00 0.00 60.65 60.77 1eal s ILE 59 Cb -0.01 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.88 1eal s ILE 59 CO -0.17 -0.03 -0.22 -0.89 -0.10 0.00 0.00 174.94 173.54 1eal s THR 60 N -1.62 1.72 -0.46 2.92 2.01 -1.26 -1.32 115.64 117.63 1eal s THR 60 Ca 0.63 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1eal s THR 60 Cb -0.26 -1.45 0.22 0.00 0.01 0.00 0.00 72.50 71.02 1eal s THR 60 CO 0.31 0.37 0.50 0.59 -0.69 0.00 0.00 174.62 175.71 1eal n ASN 61 N 2.25 0.78 -4.71 3.53 4.13 -0.45 -4.98 115.26 115.80 1eal n ASN 61 Ca -0.16 -2.76 -0.42 0.00 1.68 0.00 0.00 54.58 52.92 1eal n ASN 61 Cb 0.53 -0.63 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 1eal n ASN 61 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1eal s THR 62 N -1.06 2.60 0.19 3.41 2.01 -1.26 -3.51 115.64 118.02 1eal s THR 62 Ca 0.34 0.38 -0.10 0.00 0.31 0.00 0.00 61.69 62.63 1eal s THR 62 Cb 0.11 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1eal s THR 62 CO -0.13 0.02 0.33 0.72 -0.69 0.00 0.00 174.62 174.88 1eal s PHE 63 N 1.42 0.44 0.04 4.92 -0.12 -0.87 -4.93 117.98 118.88 1eal s PHE 63 Ca 0.72 -0.78 0.07 0.00 -0.05 0.00 0.00 56.93 56.88 1eal s PHE 63 Cb -0.44 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 1eal s PHE 63 CO 0.32 -0.79 -0.19 0.99 -0.05 0.00 0.00 175.22 175.49 1eal s THR 64 N -3.99 1.52 -0.72 -4.49 2.01 -1.26 -0.10 115.64 108.61 1eal s THR 64 Ca 0.20 -1.15 -0.26 0.00 0.31 0.00 0.00 61.69 60.79 1eal s THR 64 Cb 0.02 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 1eal s THR 64 CO 0.03 0.15 1.65 -0.63 -0.69 0.00 0.00 174.62 175.13 1eal s ILE 65 N -0.82 3.53 0.00 1.82 -1.09 -1.26 -4.10 121.20 119.28 1eal s ILE 65 Ca 0.06 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1eal s ILE 65 Cb -0.09 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 1eal s ILE 65 CO 0.02 -1.31 0.00 0.61 -1.23 0.00 0.00 174.94 173.03 1eal n GLY 66 N 5.83 2.51 3.71 6.18 0.00 -1.11 -4.99 105.19 117.32 1eal n GLY 66 Ca 0.18 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1eal n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eal s LYS 67 N 0.00 1.25 -0.67 1.61 -2.85 -1.26 -4.69 119.74 113.14 1eal s LYS 67 Ca 0.00 0.89 -0.26 0.00 -1.00 0.00 0.00 55.97 55.59 1eal s LYS 67 Cb 0.00 -1.80 -0.01 0.00 -2.06 0.00 0.00 37.83 33.96 1eal s LYS 67 CO 0.00 -2.26 1.73 -2.00 0.10 0.00 0.00 175.35 172.91 1eal s GLU 68 N -4.90 2.77 0.55 1.78 2.12 -1.26 -3.76 118.70 116.00 1eal s GLU 68 Ca 0.64 0.31 -0.15 0.00 0.36 0.00 0.00 54.97 56.13 1eal s GLU 68 Cb -0.18 -4.41 -0.07 0.00 0.26 0.00 0.00 34.13 29.73 1eal s GLU 68 CO 0.57 -2.63 1.00 0.00 -0.54 0.00 0.00 175.26 173.66 1eal s ASP 70 N -3.43 5.53 0.10 0.00 -4.77 -1.26 0.68 116.67 113.51 1eal s ASP 70 Ca 0.58 0.22 0.04 0.00 -3.30 0.00 0.00 52.55 50.09 1eal s ASP 70 Cb -0.10 -1.63 -0.03 0.00 -1.09 0.00 0.00 42.92 40.06 1eal s ASP 70 CO 0.39 0.38 -0.11 -0.63 0.70 0.00 0.00 175.17 175.90 1eal s ILE 71 N -0.89 1.01 0.36 2.11 1.01 -0.08 -4.94 121.20 119.79 1eal s ILE 71 Ca 0.13 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 1eal s ILE 71 Cb -0.12 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.08 1eal s ILE 71 CO 0.03 -0.48 0.76 -1.83 0.00 0.00 0.00 174.94 173.41 1eal s GLU 72 N -2.59 2.13 0.96 2.79 1.03 -1.26 -0.43 118.70 121.33 1eal s GLU 72 Ca 0.04 -1.36 0.00 0.00 0.03 0.00 0.00 54.97 53.69 1eal s GLU 72 Cb -0.04 0.62 0.00 0.00 -0.80 0.00 0.00 34.13 33.90 1eal s GLU 72 CO 0.01 -0.99 0.00 -2.37 -1.33 0.00 0.00 175.26 170.58 1eal n THR 73 N -0.52 0.00 0.00 1.83 5.66 -1.26 -4.75 114.28 115.24 1eal n THR 73 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1eal n THR 73 Cb 0.60 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1eal n THR 73 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1eal n ILE 74 N -2.76 0.00 0.12 1.09 2.08 -1.26 -3.00 119.36 115.62 1eal n ILE 74 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 1eal n ILE 74 Cb 0.30 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 39.26 1eal n ILE 74 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1eal h GLY 75 N 0.00 0.00 0.00 7.39 0.00 -2.01 -3.48 103.07 104.98 1eal h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1eal h GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1eal n GLY 76 N 0.72 2.24 3.67 4.60 0.00 -1.16 -4.98 105.19 110.28 1eal n GLY 76 Ca -0.00 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 1eal n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1eal n LYS 77 N 0.00 2.46 -1.17 1.61 4.81 -1.26 -4.16 118.16 120.44 1eal n LYS 77 Ca 0.00 0.90 -0.31 0.00 -0.87 0.00 0.00 58.31 58.03 1eal n LYS 77 Cb 0.00 -2.78 0.10 0.00 0.02 0.00 0.00 35.03 32.37 1eal n LYS 77 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1eal s LYS 78 N 3.95 2.02 0.11 1.64 -2.85 -1.26 -4.73 119.74 118.62 1eal s LYS 78 Ca 0.90 1.28 0.04 0.00 -1.00 0.00 0.00 55.97 57.19 1eal s LYS 78 Cb -0.59 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.28 1eal s LYS 78 CO 0.47 -1.84 -0.10 -0.06 0.10 0.00 0.00 175.35 173.92 1eal s PHE 79 N -2.79 1.13 0.56 1.78 0.08 0.43 -4.99 117.98 114.16 1eal s PHE 79 Ca 0.63 -0.71 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 1eal s PHE 79 Cb -0.19 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.67 1eal s PHE 79 CO 0.55 0.02 0.84 -1.59 -0.10 0.00 0.00 175.22 174.94 1eal s LYS 80 N -3.21 2.88 0.13 0.44 -2.85 -1.26 -0.90 119.74 114.97 1eal s LYS 80 Ca 0.10 -0.22 -0.22 0.00 -1.00 0.00 0.00 55.97 54.63 1eal s LYS 80 Cb -0.00 -2.36 0.06 0.00 -2.06 0.00 0.00 37.83 33.47 1eal s LYS 80 CO -0.00 -0.62 0.55 0.00 0.10 0.00 0.00 175.35 175.38 1eal s ALA 81 N -2.87 -1.43 -0.52 0.59 0.00 0.22 -4.49 121.76 113.26 1eal s ALA 81 Ca 0.53 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1eal s ALA 81 Cb -0.10 0.76 0.14 0.00 0.00 0.00 0.00 23.12 23.92 1eal s ALA 81 CO 0.43 -0.70 0.29 0.99 0.00 0.00 0.00 175.76 176.77 1eal s THR 82 N -3.54 2.21 0.31 0.00 2.01 -1.03 0.87 115.64 116.48 1eal s THR 82 Ca 0.00 -3.22 -0.29 0.00 0.31 0.00 0.00 61.69 58.49 1eal s THR 82 Cb -0.00 -2.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.88 1eal s THR 82 CO -0.11 -0.87 1.24 -0.69 -0.69 0.00 0.00 174.62 173.50 1eal s VAL 83 N -0.27 2.98 -0.14 3.82 1.01 -1.25 -3.97 120.40 122.59 1eal s VAL 83 Ca 0.19 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 1eal s VAL 83 Cb -0.21 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1eal s VAL 83 CO -0.03 0.23 0.86 0.00 0.00 0.00 0.00 175.10 176.17 1eal s GLN 84 N -1.65 0.78 0.31 2.72 1.03 -0.69 -2.74 119.66 119.42 1eal s GLN 84 Ca 0.47 0.29 -0.03 0.00 0.04 0.00 0.00 55.36 56.13 1eal s GLN 84 Cb -0.37 0.37 -0.05 0.00 0.03 0.00 0.00 33.01 32.99 1eal s GLN 84 CO 0.49 -0.22 0.56 -1.64 -2.54 0.00 0.00 175.29 171.93 1eal s MET 85 N -0.92 3.58 -0.41 9.60 -1.94 -1.26 -1.78 119.30 126.17 1eal s MET 85 Ca -0.05 -0.08 0.09 0.00 -1.71 0.00 0.00 55.69 53.94 1eal s MET 85 Cb -0.01 -2.64 0.36 0.00 2.01 0.00 0.00 34.83 34.55 1eal s MET 85 CO 0.04 0.18 1.12 -0.85 -0.01 0.00 0.00 175.02 175.50 1eal n GLU 86 N -1.22 1.08 0.00 2.03 0.28 -1.17 -4.93 120.64 116.71 1eal n GLU 86 Ca -0.02 -2.26 0.00 0.00 -0.16 0.00 0.00 57.16 54.71 1eal n GLU 86 Cb 0.55 -0.85 0.00 0.00 1.43 0.00 0.00 31.44 32.56 1eal n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1eal n GLY 87 N 0.00 0.60 2.47 -1.84 0.00 -1.26 -4.79 105.19 100.37 1eal n GLY 87 Ca 0.06 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1eal n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 88 N 0.00 4.85 3.51 -0.02 0.00 -1.26 -4.90 105.19 107.37 1eal n GLY 88 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1eal n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eal s LYS 89 N -1.24 0.98 -0.09 1.61 -2.85 -1.26 -3.80 119.74 113.09 1eal s LYS 89 Ca 0.56 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 55.17 1eal s LYS 89 Cb 0.26 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.45 1eal s LYS 89 CO -0.14 -0.43 -0.14 0.54 0.10 0.00 0.00 175.35 175.28 1eal s VAL 90 N -3.31 3.03 -0.06 1.79 0.11 -0.13 -3.05 120.40 118.78 1eal s VAL 90 Ca 0.05 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1eal s VAL 90 Cb -0.01 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 1eal s VAL 90 CO -0.09 0.56 0.01 -0.69 -3.33 0.00 0.00 175.10 171.55 1eal s VAL 91 N -0.14 4.30 -0.41 2.04 1.01 -0.73 -0.78 120.40 125.68 1eal s VAL 91 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1eal s VAL 91 Cb -0.14 -2.85 0.20 0.00 0.00 0.00 0.00 36.38 33.60 1eal s VAL 91 CO 0.03 0.52 0.41 0.55 0.00 0.00 0.00 175.10 176.62 1eal n VAL 92 N 1.86 -0.99 -1.85 2.92 3.14 -0.07 -1.70 118.33 121.64 1eal n VAL 92 Ca -0.17 -3.66 -0.30 0.00 -2.96 0.00 0.00 64.34 57.25 1eal n VAL 92 Cb 0.53 -1.77 0.05 0.00 -1.06 0.00 0.00 33.84 31.59 1eal n VAL 92 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1eal s ASN 93 N -0.43 5.43 -0.07 6.55 2.20 -1.25 -1.19 114.94 126.18 1eal s ASN 93 Ca 0.34 1.18 -0.30 0.00 -0.94 0.00 0.00 52.86 53.13 1eal s ASN 93 Cb 0.09 -1.99 0.09 0.00 -2.00 0.00 0.00 41.25 37.44 1eal s ASN 93 CO -0.17 -1.36 0.77 -0.55 -2.94 0.00 0.00 177.10 172.85 1eal s SER 94 N -4.30 -0.57 0.45 3.54 0.15 -1.26 -2.46 113.70 109.25 1eal s SER 94 Ca 0.58 0.58 0.20 0.00 0.70 0.00 0.00 55.95 58.01 1eal s SER 94 Cb -0.11 0.47 1.09 0.00 -1.71 0.00 0.00 66.02 65.76 1eal s SER 94 CO 0.52 -0.56 1.95 1.55 1.20 0.00 0.00 173.24 177.91 1eal h PRO 95 N 2.80 0.00 -0.50 5.44 0.13 -1.99 -3.27 132.00 134.61 1eal h PRO 95 Ca -0.25 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.62 1eal h PRO 95 Cb 1.16 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1eal h PRO 95 CO 0.37 0.22 -1.11 0.09 -0.23 0.00 0.00 178.00 177.34 1eal n ASN 96 N -3.87 1.72 -2.67 1.44 3.02 -1.26 -4.93 115.26 108.72 1eal n ASN 96 Ca -0.02 -2.17 -0.04 0.00 -0.03 0.00 0.00 54.58 52.33 1eal n ASN 96 Cb 0.31 -0.48 0.10 0.00 -0.61 0.00 0.00 39.78 39.11 1eal n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1eal n TYR 97 N -0.56 -0.59 -1.94 3.10 9.36 -1.23 -5.02 117.16 120.27 1eal n TYR 97 Ca 0.09 -0.80 -0.42 0.00 3.32 0.00 0.00 57.90 60.09 1eal n TYR 97 Cb 0.81 1.18 -0.03 0.00 -0.63 0.00 0.00 39.34 40.67 1eal n TYR 97 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1eal s HIS 98 N 0.08 3.04 0.10 2.98 5.65 -0.78 -4.29 115.29 122.06 1eal s HIS 98 Ca 0.22 0.72 0.04 0.00 0.25 0.00 0.00 55.06 56.29 1eal s HIS 98 Cb 0.27 -3.91 -0.04 0.00 -1.18 0.00 0.00 32.58 27.72 1eal s HIS 98 CO -0.16 -3.28 -0.10 -1.58 -0.65 0.00 0.00 174.74 168.96 1eal s HIS 99 N 0.84 1.08 -0.10 3.88 2.46 -0.33 -1.07 115.29 122.06 1eal s HIS 99 Ca 0.67 -0.64 -0.30 0.00 0.47 0.00 0.00 55.06 55.27 1eal s HIS 99 Cb -0.44 -0.59 0.10 0.00 -0.13 0.00 0.00 32.58 31.53 1eal s HIS 99 CO 0.35 0.01 0.87 0.99 -2.47 0.00 0.00 174.74 174.48 1eal s THR 100 N -2.34 0.00 0.15 0.89 2.01 -0.04 -0.89 115.64 115.42 1eal s THR 100 Ca 0.05 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 1eal s THR 100 Cb -0.03 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.52 1eal s THR 100 CO 0.00 0.00 0.48 0.00 -0.69 0.00 0.00 174.62 174.42 1eal s ALA 101 N -1.44 -1.11 -0.27 7.40 0.00 0.03 -1.27 121.76 125.10 1eal s ALA 101 Ca -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1eal s ALA 101 Cb -0.00 0.78 0.14 0.00 0.00 0.00 0.00 23.12 24.05 1eal s ALA 101 CO 0.03 -0.72 0.55 -2.00 0.00 0.00 0.00 175.76 173.62 1eal s GLU 102 N -3.81 0.50 0.20 0.00 2.12 -0.42 -0.95 118.70 116.33 1eal s GLU 102 Ca 0.04 1.08 -0.25 0.00 0.36 0.00 0.00 54.97 56.20 1eal s GLU 102 Cb 0.00 0.46 -0.08 0.00 0.26 0.00 0.00 34.13 34.77 1eal s GLU 102 CO -0.10 -0.42 0.81 0.42 -0.54 0.00 0.00 175.26 175.43 1eal s ILE 103 N 2.78 4.33 -0.21 -3.70 -1.09 -1.25 -0.49 121.20 121.57 1eal s ILE 103 Ca 0.07 1.73 -0.22 0.00 -2.23 0.00 0.00 60.65 60.00 1eal s ILE 103 Cb -0.14 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1eal s ILE 103 CO -0.18 0.45 0.62 0.54 -1.23 0.00 0.00 174.94 175.14 1eal s VAL 104 N -1.23 0.00 -1.40 2.92 0.11 -0.47 -4.77 120.40 115.56 1eal s VAL 104 Ca 0.39 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 1eal s VAL 104 Cb -0.22 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1eal s VAL 104 CO 0.26 -0.01 0.14 -0.90 -3.33 0.00 0.00 175.10 171.27 1eal n ASP 105 N 2.51 0.15 -3.51 3.54 5.68 -1.26 -0.68 116.55 122.98 1eal n ASP 105 Ca -0.15 -1.08 -0.20 0.00 -0.50 0.00 0.00 54.79 52.87 1eal n ASP 105 Cb 0.56 -1.36 0.08 0.00 -1.14 0.00 0.00 41.12 39.26 1eal n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1eal n GLY 106 N -1.97 -0.41 3.55 6.12 0.00 -1.26 -5.01 105.19 106.22 1eal n GLY 106 Ca -0.17 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1eal n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eal s LYS 107 N -5.71 0.73 -0.29 1.61 2.20 0.15 -4.45 119.74 113.97 1eal s LYS 107 Ca 0.17 0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 1eal s LYS 107 Cb -0.08 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1eal s LYS 107 CO 0.74 -0.10 0.28 -1.17 -0.36 0.00 0.00 175.35 174.74 1eal s LEU 108 N 0.63 4.15 0.02 5.43 2.96 -0.92 -1.37 118.68 129.58 1eal s LEU 108 Ca -0.02 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1eal s LEU 108 Cb -0.05 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1eal s LEU 108 CO -0.04 -0.16 0.21 -0.69 -1.32 0.00 0.00 176.35 174.35 1eal s VAL 109 N 1.90 5.39 -0.02 1.68 1.01 0.35 -0.81 120.40 129.90 1eal s VAL 109 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1eal s VAL 109 Cb -0.16 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1eal s VAL 109 CO 0.11 0.26 0.03 -0.70 0.00 0.00 0.00 175.10 174.79 1eal s GLU 110 N -2.12 0.00 0.05 2.72 2.56 -0.26 -1.30 118.70 120.35 1eal s GLU 110 Ca 0.30 0.17 0.04 0.00 0.00 0.00 0.00 54.97 55.49 1eal s GLU 110 Cb -0.13 -0.27 -0.02 0.00 2.00 0.00 0.00 34.13 35.71 1eal s GLU 110 CO 0.21 -0.16 -0.13 0.08 -0.56 0.00 0.00 175.26 174.71 1eal s VAL 111 N 1.03 0.98 0.04 3.70 1.01 -0.40 -0.93 120.40 125.83 1eal s VAL 111 Ca -0.09 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1eal s VAL 111 Cb -0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1eal s VAL 111 CO -0.03 -0.15 0.10 -0.44 0.00 0.00 0.00 175.10 174.59 1eal s SER 112 N -1.40 0.17 -0.03 3.32 0.01 -1.23 -0.86 113.70 113.67 1eal s SER 112 Ca -0.02 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 1eal s SER 112 Cb -0.09 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1eal s SER 112 CO 0.01 -0.51 0.19 -0.89 0.41 0.00 0.00 173.24 172.45 1eal s THR 113 N -2.62 0.05 -0.36 1.44 2.01 -0.23 -0.41 115.64 115.52 1eal s THR 113 Ca -0.05 -0.38 0.14 0.00 0.31 0.00 0.00 61.69 61.72 1eal s THR 113 Cb -0.01 -0.40 0.42 0.00 0.01 0.00 0.00 72.50 72.52 1eal s THR 113 CO -0.05 -0.21 1.06 1.33 -0.69 0.00 0.00 174.62 176.07 1eal n VAL 114 N 2.05 0.54 0.00 3.82 0.24 -1.25 -1.86 118.33 121.87 1eal n VAL 114 Ca -0.18 -2.65 0.00 0.00 -2.04 0.00 0.00 64.34 59.47 1eal n VAL 114 Cb 0.57 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1eal n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1eal n GLY 115 N -0.17 1.98 0.95 7.63 0.00 -1.26 -4.47 105.19 109.84 1eal n GLY 115 Ca 0.07 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1eal n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 116 N 0.00 1.52 2.56 -0.02 0.00 -1.26 -4.97 105.19 103.02 1eal n GLY 116 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1eal n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eal s VAL 117 N -0.54 -0.04 0.73 1.61 1.01 -1.26 -5.13 120.40 116.78 1eal s VAL 117 Ca 0.22 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1eal s VAL 117 Cb 0.24 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1eal s VAL 117 CO -0.08 -0.82 1.09 -0.55 0.00 0.00 0.00 175.10 174.74 1eal s SER 118 N 1.47 4.78 -0.45 3.32 0.15 -1.26 -3.81 113.70 117.90 1eal s SER 118 Ca 0.15 1.85 0.09 0.00 0.70 0.00 0.00 55.95 58.74 1eal s SER 118 Cb -0.19 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 61.90 1eal s SER 118 CO -0.11 -1.85 0.73 0.00 1.20 0.00 0.00 173.24 173.21 1eal n TYR 119 N -3.15 1.30 -1.96 3.44 9.36 0.45 -4.94 117.16 121.66 1eal n TYR 119 Ca 0.09 -3.84 -0.42 0.00 3.32 0.00 0.00 57.90 57.06 1eal n TYR 119 Cb 0.53 -0.44 -0.03 0.00 -0.63 0.00 0.00 39.34 38.77 1eal n TYR 119 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1eal s GLU 120 N -2.38 4.23 0.09 2.98 2.56 -1.26 -3.49 118.70 121.42 1eal s GLU 120 Ca 0.41 2.34 -0.15 0.00 0.00 0.00 0.00 54.97 57.57 1eal s GLU 120 Cb 0.27 -3.14 0.03 0.00 2.00 0.00 0.00 34.13 33.28 1eal s GLU 120 CO -0.09 -0.55 0.35 -0.98 -0.56 0.00 0.00 175.26 173.43 1eal s ARG 121 N 0.68 0.95 0.17 4.30 1.70 -0.11 -4.46 118.95 122.18 1eal s ARG 121 Ca 0.67 -0.63 0.11 0.00 -0.47 0.00 0.00 55.73 55.40 1eal s ARG 121 Cb -0.43 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1eal s ARG 121 CO 0.35 -0.34 -0.22 0.08 -1.08 0.00 0.00 175.30 174.09 1eal s VAL 122 N -3.27 2.52 -0.03 4.99 1.01 -1.26 -1.11 120.40 123.26 1eal s VAL 122 Ca -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 1eal s VAL 122 Cb 0.01 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.23 1eal s VAL 122 CO -0.08 -0.04 0.01 -0.94 0.00 0.00 0.00 175.10 174.05 1eal s SER 123 N -2.48 0.35 -0.07 3.32 1.04 0.01 -2.11 113.70 113.75 1eal s SER 123 Ca 0.19 -0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 1eal s SER 123 Cb -0.09 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1eal s SER 123 CO 0.10 -0.11 1.05 -0.75 0.98 0.00 0.00 173.24 174.50 1eal s LYS 124 N 1.07 4.43 -0.40 4.02 2.47 0.25 -2.16 119.74 129.43 1eal s LYS 124 Ca -0.09 1.47 -0.29 0.00 -1.56 0.00 0.00 55.97 55.50 1eal s LYS 124 Cb -0.13 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1eal s LYS 124 CO -0.02 -0.30 1.23 0.21 0.16 0.00 0.00 175.35 176.63 1eal s LYS 125 N 1.86 3.79 -0.17 4.03 2.20 -1.26 -0.92 119.74 129.27 1eal s LYS 125 Ca 0.51 0.88 -0.22 0.00 -0.36 0.00 0.00 55.97 56.78 1eal s LYS 125 Cb -0.20 -3.90 -0.19 0.00 -1.51 0.00 0.00 37.83 32.02 1eal s LYS 125 CO 0.21 -1.29 0.38 -0.07 -0.36 0.00 0.00 175.35 174.22 1eal h LEU 126 N 11.19 0.00 0.00 5.43 3.38 -1.93 -3.48 115.31 129.90 1eal h LEU 126 Ca -0.24 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1eal h LEU 126 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1eal h LEU 126 CO 1.08 1.17 0.00 0.00 0.09 0.00 0.00 178.44 180.79