#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udr s LEU 6 N 0.00 4.35 -0.31 -4.62 2.96 -1.26 -4.87 118.68 114.93 1udr s LEU 6 Ca 0.00 2.91 -0.21 0.00 -0.22 0.00 0.00 54.13 56.61 1udr s LEU 6 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1udr s LEU 6 CO 0.00 -0.90 0.67 -0.75 -1.32 0.00 0.00 176.35 174.05 1udr s LYS 7 N -0.31 3.89 0.09 1.98 2.20 -1.26 -4.42 119.74 121.90 1udr s LYS 7 Ca 0.64 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1udr s LYS 7 Cb -0.47 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 1udr s LYS 7 CO 0.46 -0.62 0.19 -0.06 -0.36 0.00 0.00 175.35 174.96 1udr s PHE 8 N 2.71 3.43 -0.15 4.03 0.40 0.15 -0.64 117.98 127.91 1udr s PHE 8 Ca 0.27 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1udr s PHE 8 Cb -0.15 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1udr s PHE 8 CO 0.12 0.56 -0.16 -1.17 0.70 0.00 0.00 175.22 175.27 1udr s LEU 9 N -2.66 1.83 -0.29 -0.37 2.96 -0.36 -0.90 118.68 118.89 1udr s LEU 9 Ca 0.34 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1udr s LEU 9 Cb -0.12 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1udr s LEU 9 CO 0.27 -0.02 0.13 -0.69 -1.32 0.00 0.00 176.35 174.72 1udr s VAL 10 N 1.30 4.57 -0.20 1.68 1.01 0.12 -1.42 120.40 127.46 1udr s VAL 10 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1udr s VAL 10 Cb -0.13 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1udr s VAL 10 CO -0.09 0.14 -0.09 -0.69 0.00 0.00 0.00 175.10 174.37 1udr s VAL 11 N 1.62 2.99 -0.28 2.92 1.01 0.42 -1.65 120.40 127.43 1udr s VAL 11 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 1udr s VAL 11 Cb -0.17 -2.33 0.13 0.00 0.00 0.00 0.00 36.38 34.02 1udr s VAL 11 CO 0.06 0.47 1.09 -0.62 0.00 0.00 0.00 175.10 176.09 1udr s ASP 12 N 1.29 -0.39 0.36 3.32 -1.08 -1.02 -1.03 116.67 118.11 1udr s ASP 12 Ca 0.03 0.73 0.26 0.00 -0.52 0.00 0.00 52.55 53.06 1udr s ASP 12 Cb -0.14 0.73 0.82 0.00 -1.46 0.00 0.00 42.92 42.87 1udr s ASP 12 CO -0.05 -0.15 1.76 -2.24 0.52 0.00 0.00 175.17 175.01 1udr h ASP 13 N 3.93 0.00 -3.32 -0.34 2.03 -1.78 -3.39 116.42 113.55 1udr h ASP 13 Ca -0.27 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.40 1udr h ASP 13 Cb 1.18 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.54 1udr h ASP 13 CO 0.13 0.00 0.41 0.12 -1.03 0.00 0.00 179.24 178.87 1udr s PHE 14 N -3.29 2.89 0.40 4.15 5.36 -1.26 -4.93 117.98 121.30 1udr s PHE 14 Ca 0.06 -0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.05 1udr s PHE 14 Cb 0.09 -3.86 0.89 0.00 -0.34 0.00 0.00 43.02 39.80 1udr s PHE 14 CO 0.57 -1.20 1.99 0.66 -1.46 0.00 0.00 175.22 175.79 1udr h SER 15 N 9.16 0.49 -0.85 6.13 4.64 -1.99 -2.33 113.55 128.80 1udr h SER 15 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1udr h SER 15 Cb 1.08 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1udr h SER 15 CO 1.03 0.32 0.42 0.74 -0.87 0.00 0.00 176.83 178.47 1udr h THR 16 N 0.56 1.26 -0.16 2.95 2.02 -1.96 -1.85 112.91 115.72 1udr h THR 16 Ca 0.25 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.58 1udr h THR 16 Cb 0.29 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1udr h THR 16 CO -0.07 0.31 -0.50 -0.03 0.37 0.00 0.00 175.52 175.59 1udr h MET 17 N 1.22 0.45 -0.45 6.66 -1.53 -1.84 -1.93 114.93 117.50 1udr h MET 17 Ca 0.30 -0.26 -0.03 0.00 -3.44 0.00 0.00 59.70 56.26 1udr h MET 17 Cb 0.10 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.16 1udr h MET 17 CO -0.04 0.85 0.14 0.00 0.14 0.00 0.00 176.91 178.00 1udr h ARG 18 N 0.35 0.69 -0.87 0.39 3.08 -1.25 -0.56 114.38 116.22 1udr h ARG 18 Ca 0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1udr h ARG 18 Cb 1.01 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 1udr h ARG 18 CO 0.09 0.67 0.44 -0.09 -1.07 0.00 0.00 179.97 180.01 1udr h ARG 19 N 0.58 1.24 0.16 0.04 2.43 -1.28 0.02 114.38 117.58 1udr h ARG 19 Ca 0.14 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1udr h ARG 19 Cb 0.26 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1udr h ARG 19 CO -0.01 0.93 -0.07 0.82 -1.51 0.00 0.00 179.97 180.13 1udr h ILE 20 N 1.23 0.90 -0.92 1.20 2.04 -1.04 0.92 117.51 121.84 1udr h ILE 20 Ca 0.30 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1udr h ILE 20 Cb 0.09 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1udr h ILE 20 CO -0.04 0.05 0.58 0.58 0.00 0.00 0.00 178.15 179.32 1udr h VAL 21 N -0.31 1.25 -0.62 1.67 2.07 -0.89 -1.03 116.25 118.39 1udr h VAL 21 Ca -0.02 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1udr h VAL 21 Cb 0.24 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1udr h VAL 21 CO 0.03 0.25 0.18 -0.09 0.02 0.00 0.00 177.57 177.96 1udr h ARG 22 N 1.26 0.98 -0.54 1.57 2.43 -0.76 -1.58 114.38 117.74 1udr h ARG 22 Ca 0.33 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1udr h ARG 22 Cb -0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1udr h ARG 22 CO -0.07 0.87 0.15 -0.91 -1.51 0.00 0.00 179.97 178.51 1udr h ASN 23 N 0.90 0.75 -0.31 -3.80 -0.26 -0.13 -1.45 115.58 111.29 1udr h ASN 23 Ca 0.20 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.72 1udr h ASN 23 Cb 0.32 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1udr h ASN 23 CO -0.00 0.73 -0.17 -0.07 -1.06 0.00 0.00 177.43 176.85 1udr h LEU 24 N 0.79 0.68 -0.40 1.61 3.38 -0.84 -2.37 115.31 118.17 1udr h LEU 24 Ca 0.18 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1udr h LEU 24 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1udr h LEU 24 CO -0.01 0.95 0.21 -0.07 0.09 0.00 0.00 178.44 179.62 1udr h LEU 25 N 0.42 0.50 -0.66 1.67 3.38 -1.11 -1.03 115.31 118.47 1udr h LEU 25 Ca 0.07 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1udr h LEU 25 Cb 0.71 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1udr h LEU 25 CO 0.05 0.45 0.35 0.50 0.09 0.00 0.00 178.44 179.88 1udr h LYS 26 N 0.51 0.63 -0.37 1.13 3.64 -0.97 0.30 116.57 121.42 1udr h LYS 26 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1udr h LYS 26 Cb 0.06 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1udr h LYS 26 CO -0.02 0.41 0.21 1.49 -2.27 0.00 0.00 179.45 179.27 1udr h GLU 27 N 0.65 0.51 -0.08 1.90 4.81 -0.92 0.57 114.58 122.01 1udr h GLU 27 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1udr h GLU 27 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1udr h GLU 27 CO -0.20 0.37 0.00 1.28 -0.73 0.00 0.00 179.01 179.73 1udr n LEU 28 N -4.44 1.01 0.00 1.64 4.77 0.05 -4.90 117.00 115.12 1udr n LEU 28 Ca 0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1udr n LEU 28 Cb 0.09 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1udr n LEU 28 CO 0.36 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1udr n GLY 29 N 1.02 0.68 3.40 -0.72 0.00 0.19 -5.04 105.19 104.72 1udr n GLY 29 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1udr n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1udr s PHE 30 N -2.34 3.07 -0.76 1.61 0.08 0.83 -4.70 117.98 115.78 1udr s PHE 30 Ca 0.00 -0.82 0.22 0.00 0.12 0.00 0.00 56.93 56.45 1udr s PHE 30 Cb 0.00 -3.68 -0.16 0.00 -0.57 0.00 0.00 43.02 38.60 1udr s PHE 30 CO 0.00 -1.10 0.87 0.09 -0.10 0.00 0.00 175.22 174.98 1udr n ASN 31 N 6.01 0.72 -4.40 1.36 3.02 -1.26 -2.54 115.26 118.17 1udr n ASN 31 Ca -0.09 -0.65 -0.45 0.00 -0.03 0.00 0.00 54.58 53.36 1udr n ASN 31 Cb 0.44 1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 40.71 1udr n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1udr s ASN 32 N -3.42 6.87 -0.02 6.41 3.04 -1.26 -4.99 114.94 121.56 1udr s ASN 32 Ca 0.04 -2.66 0.04 0.00 0.04 0.00 0.00 52.86 50.32 1udr s ASN 32 Cb 0.15 -2.32 -0.01 0.00 -1.54 0.00 0.00 41.25 37.54 1udr s ASN 32 CO 0.86 -0.74 -0.13 -0.69 -3.04 0.00 0.00 177.10 173.36 1udr s VAL 33 N 1.12 1.02 0.32 -5.21 1.01 -1.26 -0.67 120.40 116.73 1udr s VAL 33 Ca 0.30 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1udr s VAL 33 Cb -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1udr s VAL 33 CO -0.07 0.30 -0.03 -1.61 0.00 0.00 0.00 175.10 173.68 1udr s GLU 34 N -0.14 1.68 0.14 2.72 0.41 -0.08 -4.96 118.70 118.47 1udr s GLU 34 Ca 0.02 -1.89 0.07 0.00 -0.41 0.00 0.00 54.97 52.76 1udr s GLU 34 Cb -0.07 -1.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.97 1udr s GLU 34 CO 0.00 -0.00 -0.16 -1.21 -0.49 0.00 0.00 175.26 173.40 1udr s GLU 35 N -3.74 1.15 0.02 1.61 2.02 -1.26 -0.70 118.70 117.80 1udr s GLU 35 Ca 0.32 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 1udr s GLU 35 Cb 0.05 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 1udr s GLU 35 CO 0.14 0.21 0.02 0.00 0.02 0.00 0.00 175.26 175.66 1udr s ALA 36 N -2.16 -0.01 -0.71 5.21 0.00 -0.66 -4.89 121.76 118.54 1udr s ALA 36 Ca 0.13 -0.47 0.24 0.00 0.00 0.00 0.00 51.96 51.86 1udr s ALA 36 Cb -0.05 0.14 0.24 0.00 0.00 0.00 0.00 23.12 23.46 1udr s ALA 36 CO 0.05 -0.18 1.21 0.39 0.00 0.00 0.00 175.76 177.22 1udr n GLU 37 N 1.50 0.23 -3.96 0.00 1.02 -1.26 -2.44 120.64 115.72 1udr n GLU 37 Ca -0.23 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1udr n GLU 37 Cb 0.55 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1udr n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1udr s ASP 38 N -3.83 0.01 0.26 1.62 1.47 -1.26 -2.78 116.67 112.16 1udr s ASP 38 Ca 0.06 -0.43 -0.03 0.00 1.18 0.00 0.00 52.55 53.33 1udr s ASP 38 Cb 0.15 0.31 0.36 0.00 -0.34 0.00 0.00 42.92 43.40 1udr s ASP 38 CO 0.75 -0.61 1.89 1.23 0.68 0.00 0.00 175.17 179.11 1udr h GLY 39 N 2.00 1.49 0.90 2.12 0.00 -1.40 -1.26 103.07 106.92 1udr h GLY 39 Ca -0.24 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1udr h GLY 39 CO 0.34 0.39 -0.17 -2.08 0.00 0.00 0.00 176.54 175.02 1udr h VAL 40 N 1.22 1.30 -0.76 4.60 2.07 -1.88 -1.98 116.25 120.82 1udr h VAL 40 Ca 0.41 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1udr h VAL 40 Cb 0.08 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1udr h VAL 40 CO -0.15 0.41 0.38 -0.78 0.02 0.00 0.00 177.57 177.44 1udr h ASP 41 N 0.34 0.99 -0.10 0.57 3.58 -1.91 -2.01 116.42 117.88 1udr h ASP 41 Ca 0.06 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1udr h ASP 41 Cb 0.70 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1udr h ASP 41 CO 0.05 0.84 0.06 0.00 -2.88 0.00 0.00 179.24 177.31 1udr h ALA 42 N 1.19 0.12 -0.87 -0.78 0.00 -1.13 -0.54 119.26 117.26 1udr h ALA 42 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1udr h ALA 42 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1udr h ALA 42 CO -0.03 -0.38 0.55 -0.07 0.00 0.00 0.00 179.25 179.32 1udr h LEU 43 N 0.12 1.01 -0.40 0.00 3.38 -1.16 0.13 115.31 118.39 1udr h LEU 43 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1udr h LEU 43 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1udr h LEU 43 CO -0.01 0.75 0.23 0.78 0.09 0.00 0.00 178.44 180.28 1udr h ASN 44 N 1.18 0.50 -0.81 -0.43 2.35 -1.12 -2.88 115.58 114.38 1udr h ASN 44 Ca 0.31 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1udr h ASN 44 Cb -0.10 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1udr h ASN 44 CO -0.06 0.44 0.47 0.11 -1.65 0.00 0.00 177.43 176.73 1udr h LYS 45 N 0.52 1.11 0.00 0.81 1.79 -0.35 -2.07 116.57 118.39 1udr h LYS 45 Ca 0.14 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1udr h LYS 45 Cb 0.04 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1udr h LYS 45 CO -0.02 0.80 -0.00 -0.07 -1.08 0.00 0.00 179.45 179.07 1udr h LEU 46 N 1.12 0.00 -0.57 2.94 3.38 -0.56 -2.50 115.31 119.12 1udr h LEU 46 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 1udr h LEU 46 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1udr h LEU 46 CO -0.05 0.00 -0.20 1.56 0.09 0.00 0.00 178.44 179.84 1udr h GLN 47 N 0.00 0.93 -0.01 1.13 7.50 -1.22 -2.59 115.11 120.86 1udr h GLN 47 Ca -0.00 -0.38 0.00 0.00 0.50 0.00 0.00 58.65 58.77 1udr h GLN 47 Cb 0.12 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 1udr h GLN 47 CO 0.00 1.04 0.13 0.00 -1.50 0.00 0.00 178.83 178.50 1udr h ALA 48 N 0.95 1.15 -0.02 3.87 0.00 -1.54 -3.47 119.26 120.21 1udr h ALA 48 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1udr h ALA 48 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1udr h ALA 48 CO 0.06 -0.13 -0.00 0.41 0.00 0.00 0.00 179.25 179.58 1udr n GLY 49 N -1.14 -1.86 2.16 0.00 0.00 -0.98 -5.00 105.19 98.37 1udr n GLY 49 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1udr n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1udr n GLY 50 N -2.31 0.78 3.77 -0.02 0.00 -1.26 -5.01 105.19 101.12 1udr n GLY 50 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1udr n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1udr s TYR 51 N -2.97 3.57 0.00 1.61 2.02 -1.26 -4.55 117.35 115.78 1udr s TYR 51 Ca 0.00 1.73 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 1udr s TYR 51 Cb 0.00 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1udr s TYR 51 CO 0.00 -0.31 0.29 0.41 -1.57 0.00 0.00 175.55 174.37 1udr n GLY 52 N 0.93 -0.47 3.64 0.71 0.00 0.19 -4.95 105.19 105.24 1udr n GLY 52 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1udr n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1udr s PHE 53 N -0.26 -0.67 -0.06 1.61 2.19 -0.99 -4.39 117.98 115.41 1udr s PHE 53 Ca 0.00 1.57 0.05 0.00 0.33 0.00 0.00 56.93 58.87 1udr s PHE 53 Cb 0.00 0.35 -0.00 0.00 -1.31 0.00 0.00 43.02 42.06 1udr s PHE 53 CO 0.00 -0.32 -0.20 0.08 1.83 0.00 0.00 175.22 176.61 1udr s VAL 54 N 0.53 1.66 -0.20 3.12 1.01 -0.68 -1.22 120.40 124.63 1udr s VAL 54 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1udr s VAL 54 Cb -0.05 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1udr s VAL 54 CO -0.06 0.47 -0.10 -0.63 0.00 0.00 0.00 175.10 174.79 1udr s ILE 55 N 0.09 1.59 0.11 2.22 1.01 -0.51 -0.53 121.20 125.17 1udr s ILE 55 Ca -0.07 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.66 1udr s ILE 55 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1udr s ILE 55 CO 0.04 0.16 -0.14 -0.94 0.00 0.00 0.00 174.94 174.06 1udr s SER 56 N 1.42 1.89 0.42 3.58 1.04 -0.74 -0.44 113.70 120.87 1udr s SER 56 Ca -0.01 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 55.50 1udr s SER 56 Cb -0.16 -0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.81 1udr s SER 56 CO -0.08 -0.13 0.88 -0.62 0.98 0.00 0.00 173.24 174.27 1udr s ASP 57 N -2.23 6.77 0.14 7.02 2.15 -0.20 -0.55 116.67 129.77 1udr s ASP 57 Ca 0.06 1.49 -0.12 0.00 0.43 0.00 0.00 52.55 54.40 1udr s ASP 57 Cb -0.06 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1udr s ASP 57 CO 0.03 -0.38 1.53 -0.25 -0.17 0.00 0.00 175.17 175.93 1udr h TRP 58 N 1.68 1.01 -3.68 -5.34 2.91 -1.55 -3.05 115.95 107.93 1udr h TRP 58 Ca -0.48 -0.24 -0.68 0.00 1.13 0.00 0.00 58.89 58.62 1udr h TRP 58 Cb 1.18 -0.24 -0.32 0.00 -0.51 0.00 0.00 29.16 29.27 1udr h TRP 58 CO 0.62 1.02 -0.72 1.21 -1.03 0.00 0.00 178.44 179.54 1udr s ASN 59 N -6.57 4.68 0.03 2.65 3.04 -1.26 -1.37 114.94 116.14 1udr s ASN 59 Ca -0.12 -1.12 -0.09 0.00 0.04 0.00 0.00 52.86 51.57 1udr s ASN 59 Cb 0.11 -1.69 0.00 0.00 -1.54 0.00 0.00 41.25 38.13 1udr s ASN 59 CO 0.85 -0.21 0.17 -0.04 -3.04 0.00 0.00 177.10 174.83 1udr s MET 60 N 1.28 0.62 0.84 0.43 -1.94 -1.26 -4.80 119.30 114.47 1udr s MET 60 Ca -0.03 -0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 53.25 1udr s MET 60 Cb -0.19 0.26 0.10 0.00 2.01 0.00 0.00 34.83 37.01 1udr s MET 60 CO -0.02 -0.17 1.12 -1.25 -0.01 0.00 0.00 175.02 174.69 1udr s PRO 61 N -2.22 1.69 0.00 2.03 0.04 -1.26 -3.37 135.00 131.90 1udr s PRO 61 Ca -0.08 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1udr s PRO 61 Cb -0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1udr s PRO 61 CO -0.02 -1.84 0.00 0.09 0.04 0.00 0.00 177.00 175.26 1udr n ASN 62 N -3.55 0.00 -3.42 6.66 3.02 -1.26 -4.44 115.26 112.28 1udr n ASN 62 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.63 1udr n ASN 62 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1udr n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1udr s MET 63 N 0.00 0.48 1.01 3.52 1.75 -1.26 -4.84 119.30 119.95 1udr s MET 63 Ca 0.00 1.09 -0.17 0.00 -1.25 0.00 0.00 55.69 55.36 1udr s MET 63 Cb 0.00 0.64 0.22 0.00 2.84 0.00 0.00 34.83 38.53 1udr s MET 63 CO 0.00 -0.29 1.30 0.16 -0.65 0.00 0.00 175.02 175.54 1udr s ASP 64 N 2.80 2.72 0.21 1.11 1.47 -1.22 -1.29 116.67 122.48 1udr s ASP 64 Ca 0.02 0.29 -0.10 0.00 1.18 0.00 0.00 52.55 53.94 1udr s ASP 64 Cb -0.11 -0.33 0.16 0.00 -0.34 0.00 0.00 42.92 42.30 1udr s ASP 64 CO -0.19 -2.98 1.88 1.23 0.68 0.00 0.00 175.17 175.79 1udr h GLY 65 N -1.81 1.08 1.02 2.12 0.00 -1.11 -0.93 103.07 103.44 1udr h GLY 65 Ca -0.44 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 1udr h GLY 65 CO 0.36 0.40 0.07 -2.00 0.00 0.00 0.00 176.54 175.37 1udr h LEU 66 N 1.04 0.90 -0.90 3.11 5.85 -1.85 -1.10 115.31 122.37 1udr h LEU 66 Ca 0.28 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1udr h LEU 66 Cb -0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1udr h LEU 66 CO -0.06 0.95 -0.36 -0.33 -0.34 0.00 0.00 178.44 178.30 1udr h GLU 67 N 0.83 0.37 -0.19 1.25 4.39 -1.88 -1.00 114.58 118.35 1udr h GLU 67 Ca 0.17 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1udr h GLU 67 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1udr h GLU 67 CO 0.02 0.68 -0.01 1.25 -1.16 0.00 0.00 179.01 179.79 1udr h LEU 68 N 0.32 0.33 -0.63 1.33 5.85 -0.86 -1.26 115.31 120.39 1udr h LEU 68 Ca 0.04 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1udr h LEU 68 Cb 0.78 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1udr h LEU 68 CO 0.06 0.57 0.41 0.25 -0.34 0.00 0.00 178.44 179.39 1udr h LEU 69 N 0.09 0.69 -1.18 2.25 5.85 -1.04 -0.87 115.31 121.10 1udr h LEU 69 Ca 0.05 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1udr h LEU 69 Cb 0.40 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1udr h LEU 69 CO 0.01 0.49 0.15 0.11 -0.34 0.00 0.00 178.44 178.86 1udr h LYS 70 N 0.82 0.72 -0.12 1.25 1.57 -1.05 -1.42 116.57 118.33 1udr h LYS 70 Ca 0.24 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1udr h LYS 70 Cb -0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1udr h LYS 70 CO -0.07 0.63 -0.15 1.15 -0.57 0.00 0.00 179.45 180.44 1udr h THR 71 N 0.70 1.36 -0.43 -0.16 2.02 -0.75 -2.32 112.91 113.33 1udr h THR 71 Ca 0.16 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 66.04 1udr h THR 71 Cb 0.22 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 1udr h THR 71 CO -0.01 0.39 0.17 0.40 0.37 0.00 0.00 175.52 176.84 1udr h ILE 72 N -0.08 0.89 0.00 3.11 2.04 -0.99 -1.66 117.51 120.82 1udr h ILE 72 Ca 0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1udr h ILE 72 Cb 0.70 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1udr h ILE 72 CO 0.04 0.06 -0.03 0.03 0.00 0.00 0.00 178.15 178.25 1udr h ARG 73 N 0.35 0.00 -0.19 2.37 2.47 -1.26 -2.41 114.38 115.71 1udr h ARG 73 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1udr h ARG 73 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1udr h ARG 73 CO -0.19 0.03 0.00 0.00 0.56 0.00 0.00 179.97 180.38 1udr n ALA 74 N -2.11 2.50 -3.16 0.04 0.00 -0.66 -4.77 120.51 112.34 1udr n ALA 74 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.42 1udr n ALA 74 Cb 0.30 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 1udr n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udr s ASP 75 N -1.64 5.23 0.42 0.00 -1.08 -0.91 -4.99 116.67 113.69 1udr s ASP 75 Ca 0.34 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.66 1udr s ASP 75 Cb 0.19 -1.89 1.01 0.00 -1.46 0.00 0.00 42.92 40.78 1udr s ASP 75 CO 0.29 -0.25 1.93 1.23 0.52 0.00 0.00 175.17 178.89 1udr h GLY 76 N 8.25 0.74 2.00 2.66 0.00 -1.86 -0.41 103.07 114.45 1udr h GLY 76 Ca -0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1udr h GLY 76 CO 0.61 0.08 -0.23 0.00 0.00 0.00 0.00 176.54 177.00 1udr h ALA 77 N 1.65 1.19 0.00 3.60 0.00 -1.94 -3.30 119.26 120.45 1udr h ALA 77 Ca 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1udr h ALA 77 Cb 0.75 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1udr h ALA 77 CO -0.12 0.28 -0.37 0.00 0.00 0.00 0.00 179.25 179.05 1udr n MET 78 N -3.64 0.73 0.26 0.00 0.00 -0.47 -4.82 117.12 109.17 1udr n MET 78 Ca -0.01 -2.07 0.17 0.00 0.00 0.00 0.00 57.70 55.79 1udr n MET 78 Cb 0.35 -0.99 0.87 0.00 0.00 0.00 0.00 33.22 33.46 1udr n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1udr h SER 79 N 0.26 0.00 -0.02 3.17 4.64 -1.21 -1.67 113.55 118.72 1udr h SER 79 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1udr h SER 79 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1udr h SER 79 CO 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.90 1udr n ALA 80 N -1.97 2.64 -1.77 5.18 0.00 -1.26 -4.82 120.51 118.51 1udr n ALA 80 Ca -0.01 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1udr n ALA 80 Cb 0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1udr n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1udr s LEU 81 N -2.08 4.39 0.29 0.00 2.96 -0.63 -4.95 118.68 118.66 1udr s LEU 81 Ca 0.28 2.66 -0.29 0.00 -0.22 0.00 0.00 54.13 56.56 1udr s LEU 81 Cb 0.20 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.23 1udr s LEU 81 CO 0.35 -0.98 1.28 -2.84 -1.32 0.00 0.00 176.35 172.84 1udr s PRO 82 N 2.99 4.40 -0.12 0.98 0.02 -1.26 -4.95 135.00 137.07 1udr s PRO 82 Ca 0.80 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.93 1udr s PRO 82 Cb -0.43 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.00 1udr s PRO 82 CO 0.36 -0.15 -0.02 0.08 -0.33 0.00 0.00 177.00 176.94 1udr s VAL 83 N -0.83 0.64 -0.27 3.83 1.01 -1.26 -1.68 120.40 121.85 1udr s VAL 83 Ca 0.50 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1udr s VAL 83 Cb -0.38 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1udr s VAL 83 CO 0.47 0.18 0.15 -0.22 0.00 0.00 0.00 175.10 175.68 1udr s LEU 84 N 1.85 3.83 -0.08 3.92 2.96 0.31 -0.61 118.68 130.86 1udr s LEU 84 Ca 0.03 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 1udr s LEU 84 Cb -0.14 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1udr s LEU 84 CO -0.07 -0.04 0.40 -0.32 -1.32 0.00 0.00 176.35 175.00 1udr s MET 85 N 1.67 4.14 -0.19 1.98 -2.45 -0.58 -1.79 119.30 122.08 1udr s MET 85 Ca 0.07 0.34 -0.07 0.00 -1.25 0.00 0.00 55.69 54.77 1udr s MET 85 Cb -0.16 -3.35 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 1udr s MET 85 CO 0.08 0.39 0.06 0.08 1.05 0.00 0.00 175.02 176.69 1udr s VAL 86 N -0.09 4.72 0.13 10.11 1.01 0.29 -0.74 120.40 135.82 1udr s VAL 86 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1udr s VAL 86 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1udr s VAL 86 CO 0.10 0.45 -0.10 0.28 0.00 0.00 0.00 175.10 175.83 1udr s THR 87 N 0.50 1.05 -0.02 3.92 -1.32 0.05 -1.29 115.64 118.54 1udr s THR 87 Ca 0.03 -1.93 0.11 0.00 -1.21 0.00 0.00 61.69 58.69 1udr s THR 87 Cb -0.13 -1.70 -0.08 0.00 -1.51 0.00 0.00 72.50 69.08 1udr s THR 87 CO 0.01 -0.71 1.31 0.00 -2.21 0.00 0.00 174.62 173.02 1udr h ALA 88 N 3.01 0.53 -3.11 11.08 0.00 -1.87 0.31 119.26 129.20 1udr h ALA 88 Ca -0.37 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 53.65 1udr h ALA 88 Cb 1.19 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1udr h ALA 88 CO 0.61 0.96 -0.53 -1.83 0.00 0.00 0.00 179.25 178.46 1udr s GLU 89 N -2.83 0.30 -0.53 0.00 1.03 -1.26 -4.70 118.70 110.71 1udr s GLU 89 Ca 0.02 -0.05 -0.05 0.00 0.03 0.00 0.00 54.97 54.92 1udr s GLU 89 Cb 0.09 0.13 -0.05 0.00 -0.80 0.00 0.00 34.13 33.50 1udr s GLU 89 CO 0.79 -0.06 3.01 0.00 -1.33 0.00 0.00 175.26 177.67 1udr n ALA 90 N 2.36 6.58 -1.71 -0.84 0.00 -1.26 -4.94 120.51 120.69 1udr n ALA 90 Ca -0.17 -2.84 -0.42 0.00 0.00 0.00 0.00 53.44 50.01 1udr n ALA 90 Cb 0.57 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1udr n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1udr s ASP 91 N 1.04 6.38 0.38 0.00 2.15 -1.26 -4.84 116.67 120.53 1udr s ASP 91 Ca 0.62 2.53 0.16 0.00 0.43 0.00 0.00 52.55 56.29 1udr s ASP 91 Cb 0.32 -2.53 1.04 0.00 -0.30 0.00 0.00 42.92 41.45 1udr s ASP 91 CO -0.12 -1.13 1.78 0.00 -0.17 0.00 0.00 175.17 175.53 1udr h ALA 92 N 10.88 2.13 -0.62 3.66 0.00 -1.98 0.51 119.26 133.84 1udr h ALA 92 Ca -0.47 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1udr h ALA 92 Cb 1.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1udr h ALA 92 CO 0.95 -0.52 0.33 0.93 0.00 0.00 0.00 179.25 180.93 1udr h GLU 93 N 0.45 0.88 -0.53 0.00 3.07 -1.99 0.33 114.58 116.78 1udr h GLU 93 Ca 0.58 -0.11 -0.07 0.00 -0.50 0.00 0.00 59.36 59.26 1udr h GLU 93 Cb 1.38 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1udr h GLU 93 CO -0.31 0.68 0.04 -0.91 -1.40 0.00 0.00 179.01 177.11 1udr h ASN 94 N 0.85 0.88 -0.04 1.42 4.21 -0.51 -1.58 115.58 120.81 1udr h ASN 94 Ca 0.22 -0.28 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 1udr h ASN 94 Cb 0.06 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 1udr h ASN 94 CO -0.03 0.95 -0.13 0.40 -1.29 0.00 0.00 177.43 177.33 1udr h ILE 95 N 0.79 1.20 -0.13 2.81 2.04 -0.01 0.39 117.51 124.60 1udr h ILE 95 Ca 0.16 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1udr h ILE 95 Cb 0.47 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1udr h ILE 95 CO 0.02 0.28 -0.01 0.11 0.00 0.00 0.00 178.15 178.55 1udr h LYS 96 N 0.32 0.24 -0.77 2.37 1.79 0.09 -1.64 116.57 118.96 1udr h LYS 96 Ca 0.06 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1udr h LYS 96 Cb 0.42 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1udr h LYS 96 CO 0.02 0.49 0.44 0.00 -1.08 0.00 0.00 179.45 179.33 1udr h ALA 97 N 0.73 1.33 -0.25 3.86 0.00 -0.85 -1.03 119.26 123.05 1udr h ALA 97 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1udr h ALA 97 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1udr h ALA 97 CO 0.01 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.47 1udr h LEU 98 N 1.07 0.51 -0.21 0.00 3.38 -0.76 -1.19 115.31 118.11 1udr h LEU 98 Ca 0.28 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1udr h LEU 98 Cb -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1udr h LEU 98 CO -0.05 0.78 -0.52 0.00 0.09 0.00 0.00 178.44 178.74 1udr h ALA 99 N 1.26 0.34 -0.81 1.53 0.00 -0.70 -0.96 119.26 119.92 1udr h ALA 99 Ca 0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1udr h ALA 99 Cb 0.71 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1udr h ALA 99 CO 0.05 0.53 0.40 1.96 0.00 0.00 0.00 179.25 182.19 1udr h GLN 100 N 0.43 1.17 -0.00 0.00 1.08 -1.05 -2.74 115.11 114.00 1udr h GLN 100 Ca -0.01 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1udr h GLN 100 Cb 1.13 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1udr h GLN 100 CO 0.11 0.90 -0.01 0.00 -0.95 0.00 0.00 178.83 178.89 1udr n ALA 101 N -2.40 2.58 -1.50 3.87 0.00 -0.46 -4.94 120.51 117.65 1udr n ALA 101 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1udr n ALA 101 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1udr n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1udr n GLY 102 N 1.18 0.67 3.76 0.00 0.00 -1.03 -4.71 105.19 105.06 1udr n GLY 102 Ca 0.18 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1udr n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udr s ALA 103 N -2.00 2.83 -0.11 4.61 0.00 -0.38 -4.86 121.76 121.85 1udr s ALA 103 Ca 0.00 1.01 0.15 0.00 0.00 0.00 0.00 51.96 53.13 1udr s ALA 103 Cb 0.00 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.83 1udr s ALA 103 CO 0.00 -0.90 1.48 0.77 0.00 0.00 0.00 175.76 177.11 1udr h SER 104 N 1.62 0.00 0.00 0.00 0.02 -1.19 -3.46 113.55 110.54 1udr h SER 104 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1udr h SER 104 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1udr h SER 104 CO 0.58 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.38 1udr n GLY 105 N 1.10 -0.72 3.16 -3.77 0.00 -1.20 -4.84 105.19 98.92 1udr n GLY 105 Ca 0.02 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1udr n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1udr s TYR 106 N -2.00 0.46 -0.10 1.61 1.13 -1.26 -1.53 117.35 115.67 1udr s TYR 106 Ca 0.00 -0.93 -0.08 0.00 -1.41 0.00 0.00 57.07 54.65 1udr s TYR 106 Cb 0.00 -0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1udr s TYR 106 CO 0.00 -0.49 0.25 0.54 -2.51 0.00 0.00 175.55 173.34 1udr s VAL 107 N -3.93 -0.01 -0.14 -3.49 0.11 0.09 -4.90 120.40 108.12 1udr s VAL 107 Ca 0.11 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 1udr s VAL 107 Cb 0.06 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1udr s VAL 107 CO -0.07 0.01 0.39 -0.69 -3.33 0.00 0.00 175.10 171.41 1udr s VAL 108 N 0.31 5.24 0.27 2.04 1.01 -1.26 -0.77 120.40 127.25 1udr s VAL 108 Ca -0.01 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 1udr s VAL 108 Cb -0.03 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1udr s VAL 108 CO -0.01 0.35 0.54 -1.59 0.00 0.00 0.00 175.10 174.38 1udr s LYS 109 N 0.62 3.65 0.49 2.72 -2.85 0.10 -4.09 119.74 120.36 1udr s LYS 109 Ca 0.21 0.02 -0.19 0.00 -1.00 0.00 0.00 55.97 55.02 1udr s LYS 109 Cb -0.14 -2.66 -0.09 0.00 -2.06 0.00 0.00 37.83 32.88 1udr s LYS 109 CO 0.07 0.24 0.99 -1.25 0.10 0.00 0.00 175.35 175.50 1udr s PRO 110 N -3.41 3.97 0.13 1.78 0.04 -1.26 -4.72 135.00 131.52 1udr s PRO 110 Ca 0.44 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1udr s PRO 110 Cb -0.11 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1udr s PRO 110 CO 0.29 -0.26 -0.04 -0.59 0.04 0.00 0.00 177.00 176.43 1udr s PHE 111 N -2.34 1.06 0.45 0.56 -0.12 -1.26 -5.16 117.98 111.17 1udr s PHE 111 Ca 0.62 -0.95 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 1udr s PHE 111 Cb -0.11 -0.60 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 1udr s PHE 111 CO 0.23 -0.16 0.63 0.95 -0.05 0.00 0.00 175.22 176.82 1udr s THR 112 N -3.62 3.29 0.41 -4.49 -4.23 -1.26 -4.97 115.64 100.78 1udr s THR 112 Ca 0.18 -0.81 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1udr s THR 112 Cb 0.05 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1udr s THR 112 CO -0.00 -0.09 2.05 0.00 -0.54 0.00 0.00 174.62 176.03 1udr h ALA 113 N 0.48 1.70 -0.38 3.99 0.00 -1.99 -1.54 119.26 121.53 1udr h ALA 113 Ca -0.43 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1udr h ALA 113 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1udr h ALA 113 CO 0.51 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.94 1udr h ALA 114 N 1.75 0.52 -0.43 0.00 0.00 -1.99 -1.01 119.26 118.10 1udr h ALA 114 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1udr h ALA 114 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1udr h ALA 114 CO -0.02 0.37 0.11 1.15 0.00 0.00 0.00 179.25 180.85 1udr h THR 115 N 0.53 1.23 0.10 0.00 2.02 -1.80 -1.45 112.91 113.54 1udr h THR 115 Ca 0.10 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1udr h THR 115 Cb 0.60 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1udr h THR 115 CO 0.04 0.28 -0.13 0.25 0.37 0.00 0.00 175.52 176.33 1udr h LEU 116 N 0.56 -0.35 -0.92 2.58 5.85 -1.19 -1.18 115.31 120.66 1udr h LEU 116 Ca 0.13 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.02 1udr h LEU 116 Cb 0.31 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1udr h LEU 116 CO 0.00 -0.20 0.54 -0.08 -0.34 0.00 0.00 178.44 178.37 1udr h GLU 117 N -0.27 0.81 -0.65 1.25 4.81 -1.07 0.64 114.58 120.10 1udr h GLU 117 Ca 0.01 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1udr h GLU 117 Cb 0.28 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1udr h GLU 117 CO -0.06 0.54 0.25 1.49 -0.73 0.00 0.00 179.01 180.50 1udr h GLU 118 N 0.84 0.98 -0.11 1.92 4.81 -0.69 -1.18 114.58 121.15 1udr h GLU 118 Ca 0.47 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1udr h GLU 118 Cb 0.53 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1udr h GLU 118 CO -0.29 0.83 -0.02 0.87 -0.73 0.00 0.00 179.01 179.67 1udr h LYS 119 N 0.92 0.20 -0.81 1.92 1.79 0.08 -2.57 116.57 118.11 1udr h LYS 119 Ca 0.22 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1udr h LYS 119 Cb 0.23 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1udr h LYS 119 CO -0.02 0.50 0.47 -0.07 -1.08 0.00 0.00 179.45 179.25 1udr h LEU 120 N -0.11 0.99 -0.96 2.94 3.38 -0.83 -2.41 115.31 118.31 1udr h LEU 120 Ca 0.03 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1udr h LEU 120 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1udr h LEU 120 CO 0.01 0.79 -0.17 0.78 0.09 0.00 0.00 178.44 179.94 1udr h ASN 121 N 1.12 0.55 -0.45 -0.43 -0.26 -1.22 -0.33 115.58 114.56 1udr h ASN 121 Ca 0.29 -0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1udr h ASN 121 Cb -0.01 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1udr h ASN 121 CO -0.05 0.74 0.10 0.50 -1.06 0.00 0.00 177.43 177.66 1udr h LYS 122 N 0.51 0.73 -0.21 0.81 3.64 -1.16 -0.95 116.57 119.93 1udr h LYS 122 Ca 0.08 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1udr h LYS 122 Cb 0.58 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1udr h LYS 122 CO 0.04 0.73 -0.10 0.82 -2.27 0.00 0.00 179.45 178.67 1udr h ILE 123 N 0.60 1.30 -0.22 2.00 2.04 -1.22 -1.74 117.51 120.27 1udr h ILE 123 Ca 0.14 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.88 1udr h ILE 123 Cb 0.34 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1udr h ILE 123 CO 0.00 0.36 -0.08 -0.26 0.00 0.00 0.00 178.15 178.17 1udr h PHE 124 N 0.15 -0.18 0.07 1.37 0.04 -0.94 0.82 116.94 118.27 1udr h PHE 124 Ca 0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1udr h PHE 124 Cb 0.59 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1udr h PHE 124 CO 0.06 -0.13 -0.03 1.49 -0.60 0.00 0.00 178.31 179.10 1udr h GLU 125 N -0.04 -0.09 -0.43 1.51 4.22 -1.14 0.10 114.58 118.71 1udr h GLU 125 Ca 0.11 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.58 1udr h GLU 125 Cb 0.21 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1udr h GLU 125 CO -0.25 -0.06 0.29 -0.22 -2.18 0.00 0.00 179.01 176.59 1udr h LYS 126 N -0.10 0.52 -0.01 1.92 3.64 -1.00 -2.13 116.57 119.42 1udr h LYS 126 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1udr h LYS 126 Cb 0.08 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1udr h LYS 126 CO 0.02 0.35 -0.19 1.28 -2.27 0.00 0.00 179.45 178.63 1udr n LEU 127 N -4.48 0.85 -0.57 5.20 4.32 0.25 -4.92 117.00 117.66 1udr n LEU 127 Ca 0.04 -0.18 -0.06 0.00 -0.02 0.00 0.00 56.01 55.79 1udr n LEU 127 Cb 0.10 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 1udr n LEU 127 CO 0.35 0.16 -0.07 0.61 -1.22 0.00 0.00 177.39 177.22 1udr n GLY 128 N 1.31 0.52 0.70 -0.72 0.00 -0.64 -5.06 105.19 101.31 1udr n GLY 128 Ca 0.13 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1udr n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35