#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ahw n ASP 2 N 0.00 2.91 -4.70 0.00 8.00 -1.26 -4.25 116.55 117.24 3ahw n ASP 2 Ca 0.00 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.19 3ahw n ASP 2 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 3ahw n ASP 2 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ahw s ILE 3 N -1.20 2.47 0.62 0.53 1.01 -1.26 -4.94 121.20 118.43 3ahw s ILE 3 Ca 0.61 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 3ahw s ILE 3 Cb -0.48 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3ahw s ILE 3 CO 0.58 0.00 1.05 -2.16 0.00 0.00 0.00 174.94 174.40 3ahw s PRO 4 N 2.40 3.30 0.40 2.79 0.04 -1.26 -4.94 135.00 137.73 3ahw s PRO 4 Ca 0.79 1.04 0.07 0.00 0.04 0.00 0.00 61.00 62.94 3ahw s PRO 4 Cb -0.46 -2.04 0.84 0.00 0.04 0.00 0.00 34.50 32.88 3ahw s PRO 4 CO 0.35 -0.81 2.05 1.96 0.04 0.00 0.00 177.00 180.59 3ahw h GLN 5 N 0.04 0.56 -3.08 4.56 1.08 -1.95 -3.24 115.11 113.09 3ahw h GLN 5 Ca -0.46 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 56.76 3ahw h GLN 5 Cb 1.21 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.46 3ahw h GLN 5 CO 0.58 0.38 0.19 -1.54 -0.95 0.00 0.00 178.83 177.49 3ahw s SER 6 N -6.67 -0.22 -0.01 1.46 1.04 -1.26 -1.39 113.70 106.65 3ahw s SER 6 Ca -0.08 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.52 3ahw s SER 6 Cb 0.17 0.72 0.02 0.00 0.10 0.00 0.00 66.02 67.04 3ahw s SER 6 CO 0.73 -1.35 0.29 0.28 0.98 0.00 0.00 173.24 174.17 3ahw s THR 7 N -3.81 0.06 -0.34 2.02 -1.32 -0.35 -4.93 115.64 106.98 3ahw s THR 7 Ca 0.13 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 3ahw s THR 7 Cb -0.05 -0.63 0.08 0.00 -1.51 0.00 0.00 72.50 70.39 3ahw s THR 7 CO 0.08 -0.28 0.06 0.21 -2.21 0.00 0.00 174.62 172.48 3ahw s ASN 8 N -1.41 4.92 -0.63 8.08 3.84 -1.26 -0.90 114.94 127.58 3ahw s ASN 8 Ca -0.13 -1.77 -0.14 0.00 0.21 0.00 0.00 52.86 51.03 3ahw s ASN 8 Cb -0.05 -1.71 0.16 0.00 -0.55 0.00 0.00 41.25 39.10 3ahw s ASN 8 CO 0.03 -0.37 0.57 0.00 -2.79 0.00 0.00 177.10 174.54 3ahw n GLY 10 N 4.74 -0.51 0.00 0.00 0.00 -1.26 -1.63 105.19 106.53 3ahw n GLY 10 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3ahw n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ahw n GLY 11 N -1.17 0.88 3.54 -0.02 0.00 -1.26 -5.04 105.19 102.11 3ahw n GLY 11 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3ahw n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ahw s ASN 12 N -1.78 6.29 -0.20 1.61 0.01 -0.65 -5.05 114.94 115.18 3ahw s ASN 12 Ca 0.00 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.76 3ahw s ASN 12 Cb 0.00 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 3ahw s ASN 12 CO 0.00 -0.54 0.55 -0.69 -1.51 0.00 0.00 177.10 174.90 3ahw s VAL 13 N 2.41 5.08 0.12 1.60 1.01 -1.26 -0.48 120.40 128.88 3ahw s VAL 13 Ca 0.18 1.01 0.09 0.00 0.00 0.00 0.00 61.98 63.26 3ahw s VAL 13 Cb -0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3ahw s VAL 13 CO 0.14 0.16 -0.18 -0.31 0.00 0.00 0.00 175.10 174.91 3ahw s TYR 14 N 1.70 2.53 0.59 5.22 2.02 -0.08 -4.97 117.35 124.38 3ahw s TYR 14 Ca 0.25 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3ahw s TYR 14 Cb -0.16 -1.34 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3ahw s TYR 14 CO 0.10 0.39 0.85 -1.54 -1.57 0.00 0.00 175.55 173.78 3ahw s SER 15 N -2.15 5.23 0.33 2.29 1.04 -1.26 -1.21 113.70 117.96 3ahw s SER 15 Ca 0.18 0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.93 3ahw s SER 15 Cb -0.11 -1.12 0.75 0.00 0.10 0.00 0.00 66.02 65.65 3ahw s SER 15 CO 0.10 -1.23 1.84 -0.55 0.98 0.00 0.00 173.24 174.39 3ahw h ASN 16 N -0.13 0.74 -0.24 7.02 -1.07 -1.26 -1.39 115.58 119.25 3ahw h ASN 16 Ca -0.44 0.05 -0.13 0.00 0.07 0.00 0.00 56.30 55.86 3ahw h ASN 16 Cb 1.29 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 37.44 3ahw h ASN 16 CO 0.56 0.36 -0.29 0.44 0.07 0.00 0.00 177.43 178.57 3ahw h ASP 17 N 0.77 0.76 -0.75 6.14 3.32 -1.88 0.44 116.42 125.22 3ahw h ASP 17 Ca 0.48 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ahw h ASP 17 Cb 0.72 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3ahw h ASP 17 CO -0.25 1.01 0.43 0.44 -1.72 0.00 0.00 179.24 179.15 3ahw h ASP 18 N 0.63 0.92 -0.08 6.45 3.32 -1.67 -0.33 116.42 125.65 3ahw h ASP 18 Ca 0.07 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ahw h ASP 18 Cb 0.81 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3ahw h ASP 18 CO 0.07 0.73 -0.02 0.40 -1.72 0.00 0.00 179.24 178.70 3ahw h ILE 19 N 1.03 1.29 -0.56 0.35 2.04 -1.09 -1.85 117.51 118.73 3ahw h ILE 19 Ca 0.27 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.23 3ahw h ILE 19 Cb -0.00 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3ahw h ILE 19 CO -0.05 0.26 0.29 -1.13 0.00 0.00 0.00 178.15 177.53 3ahw h ASN 20 N -0.17 0.43 -0.61 1.72 -1.24 -0.81 -1.99 115.58 112.91 3ahw h ASN 20 Ca 0.02 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3ahw h ASN 20 Cb 0.42 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 3ahw h ASN 20 CO 0.01 0.29 0.30 0.74 -1.29 0.00 0.00 177.43 177.49 3ahw h THR 21 N 0.57 1.21 -0.24 -3.57 2.02 -0.98 -0.09 112.91 111.82 3ahw h THR 21 Ca 0.24 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3ahw h THR 21 Cb 0.13 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3ahw h THR 21 CO -0.16 0.24 0.09 0.00 0.37 0.00 0.00 175.52 176.07 3ahw h ALA 22 N 1.44 0.31 -0.61 6.16 0.00 -0.81 -0.69 119.26 125.06 3ahw h ALA 22 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ahw h ALA 22 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ahw h ALA 22 CO -0.03 -0.09 0.31 0.82 0.00 0.00 0.00 179.25 180.26 3ahw h ILE 23 N 0.23 1.21 -0.35 0.00 2.04 -0.97 -1.30 117.51 118.37 3ahw h ILE 23 Ca 0.08 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.43 3ahw h ILE 23 Cb 0.19 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3ahw h ILE 23 CO -0.01 0.23 0.08 1.56 0.00 0.00 0.00 178.15 180.01 3ahw h GLN 24 N 0.83 0.19 -0.80 2.37 4.20 -0.88 -0.32 115.11 120.70 3ahw h GLN 24 Ca 0.21 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.93 3ahw h GLN 24 Cb 0.09 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 3ahw h GLN 24 CO -0.03 0.13 0.52 0.78 -0.67 0.00 0.00 178.83 179.56 3ahw h GLY 25 N 0.20 1.15 0.96 3.46 0.00 -0.78 -0.62 103.07 107.44 3ahw h GLY 25 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ahw h GLY 25 CO -0.21 0.36 0.15 0.00 0.00 0.00 0.00 176.54 176.84 3ahw h ALA 26 N 1.32 0.34 0.00 3.60 0.00 -0.59 -2.67 119.26 121.26 3ahw h ALA 26 Ca 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ahw h ALA 26 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ahw h ALA 26 CO -0.10 -0.13 -0.21 -0.07 0.00 0.00 0.00 179.25 178.75 3ahw h LEU 27 N 0.32 0.00 -0.29 0.00 3.38 -0.74 -2.42 115.31 115.57 3ahw h LEU 27 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ahw h LEU 27 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ahw h LEU 27 CO -0.02 0.21 -0.05 0.47 0.09 0.00 0.00 178.44 179.14 3ahw n ASP 28 N -3.70 0.50 -4.75 -0.43 8.00 -0.27 -4.90 116.55 111.00 3ahw n ASP 28 Ca -0.01 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.24 3ahw n ASP 28 Cb 0.32 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 3ahw n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ahw s ASP 29 N -2.26 6.38 0.31 -2.24 2.15 -0.91 -5.01 116.67 115.09 3ahw s ASP 29 Ca 0.36 2.95 0.03 0.00 0.43 0.00 0.00 52.55 56.32 3ahw s ASP 29 Cb 0.21 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 3ahw s ASP 29 CO 0.42 -0.90 0.16 0.68 -0.17 0.00 0.00 175.17 175.36 3ahw s VAL 30 N -0.14 0.34 0.45 1.11 -7.23 -1.26 -5.10 120.40 108.56 3ahw s VAL 30 Ca 0.62 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.54 3ahw s VAL 30 Cb -0.47 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 3ahw s VAL 30 CO 0.50 0.00 1.34 0.00 -0.31 0.00 0.00 175.10 176.63 3ahw s ALA 31 N -3.57 3.15 -0.04 1.32 0.00 -1.26 -4.93 121.76 116.44 3ahw s ALA 31 Ca 0.35 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 3ahw s ALA 31 Cb 0.05 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.71 3ahw s ALA 31 CO 0.18 -1.02 0.68 0.54 0.00 0.00 0.00 175.76 176.14 3ahw s ASN 32 N -0.76 -0.64 0.82 0.00 4.22 -1.26 -5.13 114.94 112.19 3ahw s ASN 32 Ca 0.61 0.65 0.00 0.00 -2.14 0.00 0.00 52.86 51.99 3ahw s ASN 32 Cb -0.39 0.54 0.00 0.00 1.28 0.00 0.00 41.25 42.67 3ahw s ASN 32 CO 0.50 -0.63 0.00 0.61 -2.04 0.00 0.00 177.10 175.54 3ahw n GLY 33 N 0.80 1.70 0.47 0.45 0.00 -1.26 -3.92 105.19 103.43 3ahw n GLY 33 Ca -0.19 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.30 3ahw n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ahw n ASP 34 N -0.28 2.56 -3.57 1.61 5.75 -1.26 -5.03 116.55 116.34 3ahw n ASP 34 Ca 0.00 -1.90 -0.07 0.00 -0.01 0.00 0.00 54.79 52.81 3ahw n ASP 34 Cb 0.00 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 3ahw n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ahw s ARG 35 N -0.96 0.90 0.44 0.11 1.70 -1.25 -5.14 118.95 114.75 3ahw s ARG 35 Ca 0.17 -0.39 -0.25 0.00 -0.47 0.00 0.00 55.73 54.79 3ahw s ARG 35 Cb 0.09 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.77 3ahw s ARG 35 CO 0.12 -0.40 1.33 -2.14 -1.08 0.00 0.00 175.30 173.13 3ahw s PRO 36 N -3.14 3.79 0.72 3.89 0.02 -1.26 -4.68 135.00 134.34 3ahw s PRO 36 Ca 0.07 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 3ahw s PRO 36 Cb -0.01 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.88 3ahw s PRO 36 CO -0.06 -0.65 1.07 -0.25 -0.33 0.00 0.00 177.00 176.77 3ahw n ASP 37 N -0.12 0.85 0.18 2.53 8.00 -1.26 -4.91 116.55 121.82 3ahw n ASP 37 Ca 0.05 0.68 0.04 0.00 0.71 0.00 0.00 54.79 56.27 3ahw n ASP 37 Cb 0.44 -1.45 0.45 0.00 -0.02 0.00 0.00 41.12 40.53 3ahw n ASP 37 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ahw h ASN 38 N -0.23 0.10 -4.32 -2.24 2.35 -1.95 -3.43 115.58 105.86 3ahw h ASN 38 Ca -0.48 -0.02 -0.49 0.00 -0.55 0.00 0.00 56.30 54.76 3ahw h ASN 38 Cb 1.33 -0.03 -0.23 0.00 0.05 0.00 0.00 38.32 39.44 3ahw h ASN 38 CO 0.48 0.27 -0.81 -0.31 -1.65 0.00 0.00 177.43 175.41 3ahw s TYR 39 N -4.68 1.49 0.76 1.19 2.02 -1.26 -4.18 117.35 112.70 3ahw s TYR 39 Ca -0.05 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 3ahw s TYR 39 Cb 0.16 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.91 3ahw s TYR 39 CO 0.71 0.11 1.08 -1.25 -1.57 0.00 0.00 175.55 174.64 3ahw s PRO 40 N -1.59 2.38 0.19 -1.71 0.04 -1.26 -4.99 135.00 128.06 3ahw s PRO 40 Ca 0.03 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 3ahw s PRO 40 Cb -0.09 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3ahw s PRO 40 CO 0.03 -1.54 0.28 -3.38 0.04 0.00 0.00 177.00 172.43 3ahw s HIS 41 N -2.94 0.57 0.38 0.56 -3.43 -1.07 -4.99 115.29 104.38 3ahw s HIS 41 Ca 0.60 -0.91 -0.27 0.00 -0.80 0.00 0.00 55.06 53.69 3ahw s HIS 41 Cb -0.16 -0.13 -0.10 0.00 -1.43 0.00 0.00 32.58 30.76 3ahw s HIS 41 CO 0.56 -0.75 1.38 -1.14 -2.00 0.00 0.00 174.74 172.79 3ahw s GLN 42 N -4.02 4.06 -0.13 -0.38 0.74 -1.26 -0.86 119.66 117.81 3ahw s GLN 42 Ca 0.23 2.35 -0.05 0.00 0.05 0.00 0.00 55.36 57.94 3ahw s GLN 42 Cb 0.03 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 3ahw s GLN 42 CO 0.04 -0.48 0.04 -0.47 -0.55 0.00 0.00 175.29 173.87 3ahw s TYR 43 N -1.18 3.23 0.01 1.67 5.04 0.03 -4.68 117.35 121.48 3ahw s TYR 43 Ca 0.54 0.14 0.08 0.00 -2.44 0.00 0.00 57.07 55.39 3ahw s TYR 43 Cb -0.42 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 39.93 3ahw s TYR 43 CO 0.56 0.33 -0.25 0.71 -1.34 0.00 0.00 175.55 175.56 3ahw s TYR 44 N -0.31 2.21 0.08 4.97 2.02 -1.26 -4.40 117.35 120.66 3ahw s TYR 44 Ca 0.08 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.06 3ahw s TYR 44 Cb -0.12 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 3ahw s TYR 44 CO 0.02 0.04 1.43 0.34 -1.57 0.00 0.00 175.55 175.81 3ahw s ASP 45 N -0.90 6.79 -0.21 2.29 2.15 -1.26 -5.01 116.67 120.53 3ahw s ASP 45 Ca 0.10 2.30 0.02 0.00 0.43 0.00 0.00 52.55 55.40 3ahw s ASP 45 Cb -0.10 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 3ahw s ASP 45 CO 0.00 -0.71 -0.15 -1.61 -0.17 0.00 0.00 175.17 172.53 3ahw s GLU 46 N 1.65 2.58 0.26 4.34 0.41 -1.26 -5.03 118.70 121.65 3ahw s GLU 46 Ca 0.66 -0.98 -0.01 0.00 -0.41 0.00 0.00 54.97 54.23 3ahw s GLU 46 Cb -0.36 -2.62 0.56 0.00 -1.78 0.00 0.00 34.13 29.93 3ahw s GLU 46 CO 0.29 -0.36 1.73 0.00 -0.49 0.00 0.00 175.26 176.44 3ahw h ALA 47 N 7.90 1.24 0.00 5.21 0.00 -1.98 -1.00 119.26 130.64 3ahw h ALA 47 Ca -0.34 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ahw h ALA 47 Cb 1.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ahw h ALA 47 CO 0.55 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.26 3ahw h SER 48 N 0.50 0.00 1.04 0.00 4.64 -2.00 -2.81 113.55 114.92 3ahw h SER 48 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3ahw h SER 48 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3ahw h SER 48 CO -0.43 0.00 -0.44 -0.62 -0.87 0.00 0.00 176.83 174.47 3ahw n GLU 49 N -2.33 0.28 -3.69 4.77 1.02 -0.38 -4.97 120.64 115.34 3ahw n GLU 49 Ca -0.00 0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 57.05 3ahw n GLU 49 Cb 0.12 -1.72 0.04 0.00 -0.02 0.00 0.00 31.44 29.86 3ahw n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ahw n ASP 50 N -2.16 -1.49 -4.47 1.62 2.03 -1.06 -4.47 116.55 106.55 3ahw n ASP 50 Ca 0.04 -0.80 -0.34 0.00 0.52 0.00 0.00 54.79 54.21 3ahw n ASP 50 Cb 0.44 -4.15 -0.12 0.00 -0.72 0.00 0.00 41.12 36.56 3ahw n ASP 50 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ahw s ILE 51 N -3.62 3.86 -0.18 5.18 1.01 -1.26 -4.59 121.20 121.59 3ahw s ILE 51 Ca 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 3ahw s ILE 51 Cb -0.02 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3ahw s ILE 51 CO 0.80 0.47 0.02 -0.89 0.00 0.00 0.00 174.94 175.35 3ahw s THR 52 N 0.59 4.35 0.09 2.92 2.01 -1.26 -4.98 115.64 119.35 3ahw s THR 52 Ca -0.02 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3ahw s THR 52 Cb -0.14 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3ahw s THR 52 CO 0.02 0.46 0.31 -0.76 -0.69 0.00 0.00 174.62 173.97 3ahw s LEU 53 N 0.51 4.31 -0.12 4.42 1.43 -1.26 -4.81 118.68 123.16 3ahw s LEU 53 Ca 0.00 0.50 0.15 0.00 -1.03 0.00 0.00 54.13 53.76 3ahw s LEU 53 Cb -0.13 -3.09 0.36 0.00 0.03 0.00 0.00 46.19 43.35 3ahw s LEU 53 CO 0.02 0.12 1.25 0.00 0.23 0.00 0.00 176.35 177.98 3ahw n GLY 56 N 0.33 -0.10 3.77 0.00 0.00 -1.26 -4.87 105.19 103.05 3ahw n GLY 56 Ca 0.06 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 3ahw n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ahw s SER 57 N -4.00 6.01 0.82 1.61 0.01 -1.26 -5.03 113.70 111.86 3ahw s SER 57 Ca 0.00 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.72 3ahw s SER 57 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3ahw s SER 57 CO 0.00 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.22 3ahw n GLY 58 N 0.55 -1.48 3.75 3.44 0.00 -1.26 -4.90 105.19 105.29 3ahw n GLY 58 Ca 0.07 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3ahw n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ahw s PRO 59 N -2.46 2.05 0.13 1.61 0.04 -1.26 -5.00 135.00 130.10 3ahw s PRO 59 Ca 0.00 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.42 3ahw s PRO 59 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3ahw s PRO 59 CO 0.00 -1.82 -0.24 -1.58 0.04 0.00 0.00 177.00 173.40 3ahw s TRP 60 N -2.78 2.09 0.14 0.56 0.51 -1.26 -1.34 118.94 116.86 3ahw s TRP 60 Ca 0.63 -0.40 0.05 0.00 -2.12 0.00 0.00 56.10 54.27 3ahw s TRP 60 Cb -0.19 -1.12 -0.04 0.00 -0.81 0.00 0.00 33.47 31.31 3ahw s TRP 60 CO 0.55 0.31 -0.12 -1.12 -0.51 0.00 0.00 176.95 176.05 3ahw s SER 61 N -2.10 1.96 0.06 2.95 0.01 0.07 -0.79 113.70 115.87 3ahw s SER 61 Ca 0.12 -0.93 0.07 0.00 1.31 0.00 0.00 55.95 56.52 3ahw s SER 61 Cb -0.10 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 3ahw s SER 61 CO 0.06 -0.23 -0.16 -1.83 0.41 0.00 0.00 173.24 171.48 3ahw s GLU 62 N -3.28 2.05 -0.01 12.44 -1.05 -0.04 -1.30 118.70 127.51 3ahw s GLU 62 Ca 0.14 -1.01 -0.07 0.00 -0.15 0.00 0.00 54.97 53.88 3ahw s GLU 62 Cb -0.01 -2.21 0.01 0.00 -0.44 0.00 0.00 34.13 31.47 3ahw s GLU 62 CO 0.02 0.53 0.15 0.12 0.95 0.00 0.00 175.26 177.03 3ahw s PHE 63 N -1.01 -0.02 0.28 4.83 5.36 -0.61 -2.60 117.98 124.21 3ahw s PHE 63 Ca 0.16 0.02 -0.30 0.00 -0.96 0.00 0.00 56.93 55.85 3ahw s PHE 63 Cb -0.11 -0.02 -0.11 0.00 -0.34 0.00 0.00 43.02 42.45 3ahw s PHE 63 CO 0.08 -0.24 1.50 -2.14 -1.46 0.00 0.00 175.22 172.96 3ahw s PRO 64 N -1.03 4.19 -0.43 10.12 0.02 -1.26 -1.02 135.00 145.59 3ahw s PRO 64 Ca -0.11 2.44 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 3ahw s PRO 64 Cb -0.06 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.43 3ahw s PRO 64 CO 0.01 -0.51 0.34 -1.17 -0.33 0.00 0.00 177.00 175.34 3ahw s LEU 65 N -0.64 5.18 0.12 -5.54 2.96 -0.21 -4.63 118.68 115.92 3ahw s LEU 65 Ca 0.60 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3ahw s LEU 65 Cb -0.45 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 3ahw s LEU 65 CO 0.47 -0.51 -0.10 0.68 -1.32 0.00 0.00 176.35 175.57 3ahw s VAL 66 N 1.74 1.03 0.70 1.68 -7.23 -1.26 -4.44 120.40 112.62 3ahw s VAL 66 Ca 0.06 -1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3ahw s VAL 66 Cb -0.20 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.20 3ahw s VAL 66 CO 0.10 -0.63 1.08 -0.31 -0.31 0.00 0.00 175.10 175.03 3ahw s TYR 67 N -2.79 2.77 -1.49 2.82 2.02 -1.26 -3.97 117.35 115.45 3ahw s TYR 67 Ca 0.10 1.52 -0.07 0.00 -0.37 0.00 0.00 57.07 58.25 3ahw s TYR 67 Cb -0.01 -3.04 0.01 0.00 -0.40 0.00 0.00 41.96 38.53 3ahw s TYR 67 CO 0.00 -1.54 0.83 0.09 -1.57 0.00 0.00 175.55 173.36 3ahw n ASN 68 N -2.89 -6.17 -3.81 2.29 3.02 -1.26 -4.93 115.26 101.51 3ahw n ASN 68 Ca 0.09 -0.40 -0.27 0.00 -0.03 0.00 0.00 54.58 53.97 3ahw n ASN 68 Cb 0.53 -4.93 0.19 0.00 -0.61 0.00 0.00 39.78 34.95 3ahw n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ahw n GLY 69 N -1.71 -1.35 3.84 7.41 0.00 -1.25 -4.81 105.19 107.32 3ahw n GLY 69 Ca -0.06 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3ahw n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ahw s PRO 70 N -5.66 4.04 0.32 1.61 0.04 -1.26 -5.04 135.00 129.05 3ahw s PRO 70 Ca 0.70 0.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 3ahw s PRO 70 Cb -0.02 -2.17 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 3ahw s PRO 70 CO 0.49 -0.17 1.26 0.98 0.04 0.00 0.00 177.00 179.60 3ahw n TYR 71 N -1.23 2.14 -3.74 0.56 9.36 -1.26 -5.03 117.16 117.96 3ahw n TYR 71 Ca 0.06 0.56 -0.12 0.00 3.32 0.00 0.00 57.90 61.72 3ahw n TYR 71 Cb 0.54 -2.40 -0.11 0.00 -0.63 0.00 0.00 39.34 36.74 3ahw n TYR 71 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3ahw s TYR 72 N -0.99 -0.40 0.10 2.98 5.04 -1.26 -4.92 117.35 117.89 3ahw s TYR 72 Ca 0.57 0.94 -0.15 0.00 -2.44 0.00 0.00 57.07 56.00 3ahw s TYR 72 Cb -0.59 0.14 0.03 0.00 0.35 0.00 0.00 41.96 41.88 3ahw s TYR 72 CO 0.61 -0.21 0.35 0.45 -1.34 0.00 0.00 175.55 175.41 3ahw s SER 73 N 0.56 -0.16 0.23 4.32 0.15 -1.26 -4.69 113.70 112.84 3ahw s SER 73 Ca -0.03 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 3ahw s SER 73 Cb -0.05 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3ahw s SER 73 CO -0.03 -0.77 0.31 -0.94 1.20 0.00 0.00 173.24 173.01 3ahw s SER 74 N -2.60 0.11 0.19 5.45 1.04 -1.10 -4.69 113.70 112.10 3ahw s SER 74 Ca 0.01 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 3ahw s SER 74 Cb 0.02 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.73 3ahw s SER 74 CO -0.09 -1.01 1.80 0.08 0.98 0.00 0.00 173.24 175.00 3ahw h ARG 75 N 2.41 0.90 -0.28 4.02 0.11 -1.97 -0.55 114.38 119.03 3ahw h ARG 75 Ca -0.31 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3ahw h ARG 75 Cb 1.25 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3ahw h ARG 75 CO 0.44 0.68 0.00 -0.25 0.10 0.00 0.00 179.97 180.94 3ahw n ASP 76 N -4.54 2.09 -2.94 0.08 8.00 -1.26 -3.97 116.55 114.02 3ahw n ASP 76 Ca 0.05 -1.84 -0.17 0.00 0.71 0.00 0.00 54.79 53.53 3ahw n ASP 76 Cb 0.09 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3ahw n ASP 76 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ahw n ASN 77 N 0.61 1.86 -4.74 -2.24 3.02 -0.41 -5.11 115.26 108.24 3ahw n ASN 77 Ca 0.16 -3.08 -0.41 0.00 -0.03 0.00 0.00 54.58 51.22 3ahw n ASN 77 Cb 0.38 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3ahw n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ahw s TYR 78 N -2.87 3.24 -0.03 3.10 5.04 -0.35 -2.71 117.35 122.77 3ahw s TYR 78 Ca 0.38 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.28 3ahw s TYR 78 Cb 0.38 -3.61 0.01 0.00 0.35 0.00 0.00 41.96 39.08 3ahw s TYR 78 CO -0.06 -1.86 -0.07 0.08 -1.34 0.00 0.00 175.55 172.29 3ahw s VAL 79 N -0.08 0.66 0.29 3.14 1.01 -1.26 -4.97 120.40 119.19 3ahw s VAL 79 Ca 0.55 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3ahw s VAL 79 Cb -0.37 -0.60 -0.11 0.00 0.00 0.00 0.00 36.38 35.30 3ahw s VAL 79 CO 0.40 0.22 1.55 -0.55 0.00 0.00 0.00 175.10 176.72 3ahw s SER 80 N 0.33 6.42 0.00 3.32 0.15 -1.26 -4.86 113.70 117.80 3ahw s SER 80 Ca -0.05 2.91 0.29 0.00 0.70 0.00 0.00 55.95 59.79 3ahw s SER 80 Cb -0.09 -2.64 1.17 0.00 -1.71 0.00 0.00 66.02 62.75 3ahw s SER 80 CO 0.00 -0.87 1.86 -0.81 1.20 0.00 0.00 173.24 174.62 3ahw n PRO 81 N 2.04 0.19 0.00 5.44 -0.04 -1.26 -5.05 135.00 136.33 3ahw n PRO 81 Ca 0.07 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3ahw n PRO 81 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3ahw n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ahw n GLY 82 N 1.42 -0.61 0.00 0.55 0.00 -1.26 -4.42 105.19 100.88 3ahw n GLY 82 Ca 0.09 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.24 3ahw n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ahw n PRO 83 N -1.45 0.02 -4.10 1.61 -0.04 -1.26 -4.97 135.00 124.81 3ahw n PRO 83 Ca 0.00 -0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3ahw n PRO 83 Cb 0.00 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 3ahw n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ahw s ASP 84 N -3.07 5.65 0.02 3.54 1.01 -1.26 -0.87 116.67 121.69 3ahw s ASP 84 Ca 0.09 0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.48 3ahw s ASP 84 Cb 0.17 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 42.47 3ahw s ASP 84 CO 0.77 0.26 -0.04 -0.13 0.21 0.00 0.00 175.17 176.24 3ahw s ARG 85 N -1.84 0.34 -0.09 8.23 1.81 0.22 -1.05 118.95 126.57 3ahw s ARG 85 Ca 0.24 -0.58 -0.11 0.00 -1.72 0.00 0.00 55.73 53.56 3ahw s ARG 85 Cb -0.12 -0.00 -0.05 0.00 -0.45 0.00 0.00 34.95 34.33 3ahw s ARG 85 CO 0.15 -0.02 0.25 0.08 -0.68 0.00 0.00 175.30 175.08 3ahw s VAL 86 N -1.28 5.32 -0.18 3.52 1.01 -0.19 -1.41 120.40 127.19 3ahw s VAL 86 Ca -0.13 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3ahw s VAL 86 Cb -0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3ahw s VAL 86 CO -0.01 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.07 3ahw s ILE 87 N -0.73 4.68 0.09 2.22 -1.09 0.06 -1.58 121.20 124.86 3ahw s ILE 87 Ca 0.18 -0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 3ahw s ILE 87 Cb -0.14 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 3ahw s ILE 87 CO 0.07 0.47 0.05 -0.72 -1.23 0.00 0.00 174.94 173.58 3ahw s TYR 88 N 0.33 0.61 -0.09 3.97 1.13 -0.42 -0.80 117.35 122.08 3ahw s TYR 88 Ca 0.02 -1.06 -0.30 0.00 -1.41 0.00 0.00 57.07 54.33 3ahw s TYR 88 Cb -0.13 -0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 3ahw s TYR 88 CO 0.00 -0.48 1.10 -1.14 -2.51 0.00 0.00 175.55 172.52 3ahw s GLN 89 N -3.97 4.38 0.28 -3.49 -0.44 0.16 -0.75 119.66 115.83 3ahw s GLN 89 Ca 0.14 1.52 0.00 0.00 -2.50 0.00 0.00 55.36 54.53 3ahw s GLN 89 Cb 0.07 -3.56 0.53 0.00 -1.64 0.00 0.00 33.01 28.41 3ahw s GLN 89 CO -0.05 -0.40 1.83 1.15 0.50 0.00 0.00 175.29 178.33 3ahw h THR 90 N 5.09 0.92 0.10 -0.34 2.02 -1.51 -0.07 112.91 119.11 3ahw h THR 90 Ca -0.32 -0.33 -0.36 0.00 0.77 0.00 0.00 66.41 66.17 3ahw h THR 90 Cb 1.15 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3ahw h THR 90 CO 0.87 0.18 -2.00 0.59 0.37 0.00 0.00 175.52 175.53 3ahw n ASN 91 N -4.63 1.92 0.03 4.18 3.02 -1.26 -4.53 115.26 113.98 3ahw n ASN 91 Ca 0.18 0.21 0.06 0.00 -0.03 0.00 0.00 54.58 55.00 3ahw n ASN 91 Cb 0.34 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.72 3ahw n ASN 91 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ahw n THR 92 N -3.40 0.61 -0.43 3.41 -2.24 -1.07 -4.97 114.28 106.19 3ahw n THR 92 Ca -0.31 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3ahw n THR 92 Cb 1.05 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3ahw n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ahw n GLY 93 N 1.32 1.18 3.75 3.38 0.00 -0.06 -5.00 105.19 109.75 3ahw n GLY 93 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3ahw n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ahw s GLU 94 N -0.36 4.16 0.23 1.61 2.12 -1.26 -4.60 118.70 120.60 3ahw s GLU 94 Ca 0.00 2.51 -0.31 0.00 0.36 0.00 0.00 54.97 57.53 3ahw s GLU 94 Cb 0.00 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.24 3ahw s GLU 94 CO 0.00 -0.58 1.53 0.12 -0.54 0.00 0.00 175.26 175.79 3ahw s PHE 95 N 0.01 2.97 -0.07 5.30 5.36 -1.26 -0.66 117.98 129.62 3ahw s PHE 95 Ca 0.62 0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 57.40 3ahw s PHE 95 Cb -0.46 -3.93 -0.04 0.00 -0.34 0.00 0.00 43.02 38.24 3ahw s PHE 95 CO 0.47 -3.21 -0.07 0.00 -1.46 0.00 0.00 175.22 170.94 3ahw s ALA 97 N -2.15 -2.05 -0.10 0.00 0.00 -1.00 -0.89 121.76 115.57 3ahw s ALA 97 Ca -0.10 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3ahw s ALA 97 Cb 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3ahw s ALA 97 CO 0.16 -0.74 -0.12 0.95 0.00 0.00 0.00 175.76 176.01 3ahw s THR 98 N -2.56 3.16 0.19 0.00 -4.23 -1.26 -0.76 115.64 110.18 3ahw s THR 98 Ca 0.10 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 3ahw s THR 98 Cb 0.00 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 3ahw s THR 98 CO -0.05 0.55 -0.04 0.68 -0.54 0.00 0.00 174.62 175.22 3ahw s VAL 99 N -0.07 1.06 -0.02 2.29 -7.23 -0.50 -1.62 120.40 114.31 3ahw s VAL 99 Ca -0.02 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.01 3ahw s VAL 99 Cb -0.14 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.68 3ahw s VAL 99 CO 0.04 -0.50 0.20 0.28 -0.31 0.00 0.00 175.10 174.80 3ahw s THR 100 N -3.40 0.06 -0.19 5.32 -1.32 -0.14 -0.61 115.64 115.36 3ahw s THR 100 Ca 0.23 -0.52 0.28 0.00 -1.21 0.00 0.00 61.69 60.48 3ahw s THR 100 Cb 0.04 -0.46 0.36 0.00 -1.51 0.00 0.00 72.50 70.93 3ahw s THR 100 CO 0.05 -0.28 1.81 0.45 -2.21 0.00 0.00 174.62 174.43 3ahw h HIS 101 N 4.42 0.00 -2.80 9.09 3.86 -1.18 -0.58 115.15 127.96 3ahw h HIS 101 Ca -0.30 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.38 3ahw h HIS 101 Cb 1.19 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.67 3ahw h HIS 101 CO 0.54 0.00 0.91 0.99 0.86 0.00 0.00 177.93 181.24 3ahw s THR 102 N -3.43 3.40 -0.01 2.45 2.01 -1.26 -2.38 115.64 116.42 3ahw s THR 102 Ca 0.04 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3ahw s THR 102 Cb 0.07 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3ahw s THR 102 CO 0.59 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3ahw n GLY 103 N 3.81 0.35 3.78 4.40 0.00 -1.26 -4.77 105.19 111.50 3ahw n GLY 103 Ca 0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3ahw n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ahw s ALA 104 N -1.69 2.14 -0.97 4.61 0.00 -1.00 -4.90 121.76 119.95 3ahw s ALA 104 Ca 0.00 -0.00 0.28 0.00 0.00 0.00 0.00 51.96 52.23 3ahw s ALA 104 Cb 0.00 -3.18 1.15 0.00 0.00 0.00 0.00 23.12 21.09 3ahw s ALA 104 CO 0.00 -1.81 1.88 0.00 0.00 0.00 0.00 175.76 175.83 3ahw n ALA 105 N -3.52 2.27 -2.29 0.00 0.00 -1.26 -4.74 120.51 110.97 3ahw n ALA 105 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 3ahw n ALA 105 Cb 0.55 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3ahw n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ahw s SER 106 N -3.16 1.53 0.40 0.00 1.04 -1.26 -5.05 113.70 107.19 3ahw s SER 106 Ca 0.13 -1.20 0.23 0.00 0.48 0.00 0.00 55.95 55.59 3ahw s SER 106 Cb 0.18 0.06 0.35 0.00 0.10 0.00 0.00 66.02 66.71 3ahw s SER 106 CO 0.52 -0.54 1.58 1.88 0.98 0.00 0.00 173.24 177.65 3ahw h TYR 107 N 2.57 0.00 0.00 5.02 0.05 -1.93 -3.24 116.97 119.43 3ahw h TYR 107 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.40 3ahw h TYR 107 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3ahw h TYR 107 CO 0.55 0.00 -1.23 -0.40 -1.05 0.00 0.00 178.16 176.04 3ahw n ASP 108 N -2.98 0.63 -1.15 3.88 5.75 -1.26 -5.01 116.55 116.40 3ahw n ASP 108 Ca 0.04 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 3ahw n ASP 108 Cb 0.52 0.83 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 3ahw n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ahw n GLY 109 N 1.22 2.58 3.28 6.12 0.00 -1.23 -5.04 105.19 112.11 3ahw n GLY 109 Ca -0.01 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 3ahw n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ahw s PHE 110 N 1.15 1.47 0.09 1.61 0.08 -1.26 -4.23 117.98 116.89 3ahw s PHE 110 Ca 0.00 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.46 3ahw s PHE 110 Cb 0.00 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 3ahw s PHE 110 CO 0.00 0.20 -0.07 -0.08 -0.10 0.00 0.00 175.22 175.17 3ahw s THR 111 N -2.68 0.70 0.35 0.64 -1.32 -0.23 -4.61 115.64 108.49 3ahw s THR 111 Ca 0.15 -1.74 -0.27 0.00 -1.21 0.00 0.00 61.69 58.62 3ahw s THR 111 Cb -0.02 -1.44 -0.09 0.00 -1.51 0.00 0.00 72.50 69.44 3ahw s THR 111 CO 0.04 -0.74 1.19 -1.58 -2.21 0.00 0.00 174.62 171.31 3ahw s GLN 112 N -3.28 4.30 0.96 7.08 2.00 -1.26 -0.97 119.66 128.48 3ahw s GLN 112 Ca 0.07 1.93 -0.11 0.00 -2.00 0.00 0.00 55.36 55.25 3ahw s GLN 112 Cb 0.01 -2.92 0.17 0.00 0.80 0.00 0.00 33.01 31.07 3ahw s GLN 112 CO -0.03 -0.14 1.09 0.00 -0.50 0.00 0.00 175.29 175.71