#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udr n LEU 6 N 0.00 1.88 -4.65 4.31 7.94 -1.26 -4.82 117.00 120.41 1udr n LEU 6 Ca 0.00 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.59 1udr n LEU 6 Cb 0.00 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 42.76 1udr n LEU 6 CO 0.00 -0.81 0.61 -0.75 -1.11 0.00 0.00 177.39 175.34 1udr s LYS 7 N 1.88 4.21 0.06 1.96 2.20 -1.26 -4.51 119.74 124.28 1udr s LYS 7 Ca 0.91 0.93 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 1udr s LYS 7 Cb -1.04 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 31.62 1udr s LYS 7 CO 0.57 -0.45 0.17 -0.06 -0.36 0.00 0.00 175.35 175.22 1udr s PHE 8 N 2.60 3.43 -0.18 4.03 0.40 -0.17 -1.39 117.98 126.71 1udr s PHE 8 Ca 0.35 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1udr s PHE 8 Cb -0.16 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1udr s PHE 8 CO 0.09 0.58 -0.16 -1.17 0.70 0.00 0.00 175.22 175.26 1udr s LEU 9 N -2.41 2.10 -0.25 -0.37 2.96 -0.71 -0.89 118.68 119.10 1udr s LEU 9 Ca 0.33 -0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 53.45 1udr s LEU 9 Cb -0.13 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1udr s LEU 9 CO 0.25 -0.06 0.14 -0.69 -1.32 0.00 0.00 176.35 174.67 1udr s VAL 10 N 1.36 5.01 -0.15 1.68 1.01 0.34 -1.32 120.40 128.34 1udr s VAL 10 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1udr s VAL 10 Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1udr s VAL 10 CO -0.11 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 1udr s VAL 11 N 1.43 2.28 -0.29 2.92 1.01 0.33 -0.98 120.40 127.10 1udr s VAL 11 Ca 0.06 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1udr s VAL 11 Cb -0.15 -1.93 0.17 0.00 0.00 0.00 0.00 36.38 34.47 1udr s VAL 11 CO 0.07 0.54 1.25 -0.62 0.00 0.00 0.00 175.10 176.33 1udr s ASP 12 N 0.86 -0.22 0.46 3.32 -1.08 -0.94 -1.59 116.67 117.48 1udr s ASP 12 Ca -0.05 0.40 0.29 0.00 -0.52 0.00 0.00 52.55 52.66 1udr s ASP 12 Cb -0.15 0.59 0.97 0.00 -1.46 0.00 0.00 42.92 42.86 1udr s ASP 12 CO -0.02 -0.07 1.82 -2.24 0.52 0.00 0.00 175.17 175.19 1udr h ASP 13 N 4.08 0.00 -3.00 -0.34 2.03 -1.79 -3.39 116.42 114.00 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 39.55 1udr h ASP 13 CO 0.17 0.00 0.50 0.12 -1.03 0.00 0.00 179.24 179.00 1udr s PHE 14 N -3.45 2.78 0.39 4.15 5.36 -1.26 -4.93 117.98 121.02 1udr s PHE 14 Ca 0.04 -0.27 0.11 0.00 -0.96 0.00 0.00 56.93 55.85 1udr s PHE 14 Cb 0.08 -4.09 0.91 0.00 -0.34 0.00 0.00 43.02 39.58 1udr s PHE 14 CO 0.57 -1.43 1.92 0.66 -1.46 0.00 0.00 175.22 175.48 1udr h SER 15 N 9.37 0.53 -0.80 6.13 4.64 -1.99 -1.99 113.55 129.44 1udr h SER 15 Ca -0.27 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1udr h SER 15 Cb 1.07 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 1udr h SER 15 CO 1.11 0.29 0.42 0.74 -0.87 0.00 0.00 176.83 178.52 1udr h THR 16 N 0.57 1.24 -0.17 2.95 2.02 -1.96 -2.37 112.91 115.20 1udr h THR 16 Ca 0.37 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 1udr h THR 16 Cb 0.65 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1udr h THR 16 CO -0.14 0.28 -0.39 -0.03 0.37 0.00 0.00 175.52 175.61 1udr h MET 17 N 1.12 0.38 -0.61 6.66 -1.53 -1.77 -1.84 114.93 117.33 1udr h MET 17 Ca 0.28 -0.18 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 1udr h MET 17 Cb 0.06 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.08 1udr h MET 17 CO -0.04 0.71 0.27 0.00 0.14 0.00 0.00 176.91 177.99 1udr h ARG 18 N 0.32 0.89 -0.67 0.39 3.08 -1.25 -1.22 114.38 115.92 1udr h ARG 18 Ca 0.03 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1udr h ARG 18 Cb 0.83 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1udr h ARG 18 CO 0.07 0.74 0.11 -0.09 -1.07 0.00 0.00 179.97 179.72 1udr h ARG 19 N 0.84 1.10 -0.33 0.04 2.43 -1.15 -0.51 114.38 116.81 1udr h ARG 19 Ca 0.21 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1udr h ARG 19 Cb 0.15 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1udr h ARG 19 CO -0.02 1.01 0.20 0.82 -1.51 0.00 0.00 179.97 180.47 1udr h ILE 20 N 1.03 1.11 -0.45 1.20 2.04 -0.99 0.36 117.51 121.81 1udr h ILE 20 Ca 0.20 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1udr h ILE 20 Cb 0.45 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1udr h ILE 20 CO 0.01 0.11 0.11 0.58 0.00 0.00 0.00 178.15 178.97 1udr h VAL 21 N 0.42 1.23 -0.41 1.67 2.07 -1.04 -1.37 116.25 118.83 1udr h VAL 21 Ca 0.12 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1udr h VAL 21 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1udr h VAL 21 CO -0.02 0.29 0.13 -0.09 0.02 0.00 0.00 177.57 177.90 1udr h ARG 22 N 0.60 0.59 -0.05 1.57 2.43 -0.83 -0.74 114.38 117.96 1udr h ARG 22 Ca 0.14 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1udr h ARG 22 Cb 0.31 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1udr h ARG 22 CO 0.00 0.51 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.05 1udr h ASN 23 N 0.58 0.09 -0.85 -3.80 2.35 -0.58 -1.97 115.58 111.40 1udr h ASN 23 Ca 0.14 -0.35 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1udr h ASN 23 Cb 0.16 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1udr h ASN 23 CO -0.01 0.41 0.47 -0.07 -1.65 0.00 0.00 177.43 176.58 1udr h LEU 24 N -0.24 1.06 -0.50 1.61 3.38 -0.91 -0.66 115.31 119.06 1udr h LEU 24 Ca 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1udr h LEU 24 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1udr h LEU 24 CO 0.00 0.85 0.20 -0.07 0.09 0.00 0.00 178.44 179.52 1udr h LEU 25 N 1.19 0.69 -1.38 1.67 3.38 -1.10 -1.36 115.31 118.41 1udr h LEU 25 Ca 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1udr h LEU 25 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1udr h LEU 25 CO -0.05 0.67 -0.09 0.11 0.09 0.00 0.00 178.44 179.17 1udr h LYS 26 N 0.67 0.30 -0.24 1.13 1.57 -0.91 -0.16 116.57 118.93 1udr h LYS 26 Ca 0.17 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1udr h LYS 26 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1udr h LYS 26 CO -0.01 0.41 -0.19 1.49 -0.57 0.00 0.00 179.45 180.57 1udr h GLU 27 N 0.29 0.42 -0.08 3.15 4.81 -0.64 -1.24 114.58 121.29 1udr h GLU 27 Ca 0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1udr h GLU 27 Cb 0.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1udr h GLU 27 CO 0.02 0.60 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 1udr n LEU 28 N -4.17 1.01 0.00 1.64 4.77 -0.35 -4.93 117.00 114.96 1udr n LEU 28 Ca -0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1udr n LEU 28 Cb 0.35 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1udr n LEU 28 CO 0.40 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1udr n GLY 29 N 1.03 0.81 3.31 -0.72 0.00 -0.47 -5.05 105.19 104.10 1udr n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.10 3.30 -0.91 1.61 0.08 -0.22 -4.93 117.98 114.82 1udr s PHE 30 Ca 0.00 -1.31 0.22 0.00 0.12 0.00 0.00 56.93 55.96 1udr s PHE 30 Cb 0.00 -2.90 -0.07 0.00 -0.57 0.00 0.00 43.02 39.49 1udr s PHE 30 CO 0.00 -0.80 0.99 0.09 -0.10 0.00 0.00 175.22 175.40 1udr n ASN 31 N 4.99 0.81 -4.44 1.36 3.02 -1.26 -3.19 115.26 116.54 1udr n ASN 31 Ca -0.11 -0.72 -0.44 0.00 -0.03 0.00 0.00 54.58 53.29 1udr n ASN 31 Cb 0.44 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.50 1udr n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1udr n ASN 32 N -1.59 5.17 -4.13 6.41 4.05 -1.26 -4.97 115.26 118.94 1udr n ASN 32 Ca 0.04 -2.98 -0.24 0.00 0.45 0.00 0.00 54.58 51.85 1udr n ASN 32 Cb 0.36 -1.59 -0.15 0.00 1.23 0.00 0.00 39.78 39.62 1udr n ASN 32 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1udr s VAL 33 N 1.86 1.24 0.28 3.44 1.01 -1.26 -1.00 120.40 125.97 1udr s VAL 33 Ca 0.44 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1udr s VAL 33 Cb -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1udr s VAL 33 CO 0.01 0.36 -0.13 -1.61 0.00 0.00 0.00 175.10 173.73 1udr s GLU 34 N -0.26 1.60 0.16 2.72 0.41 -0.07 -4.96 118.70 118.30 1udr s GLU 34 Ca 0.04 -1.77 0.08 0.00 -0.41 0.00 0.00 54.97 52.91 1udr s GLU 34 Cb -0.07 -1.45 -0.04 0.00 -1.78 0.00 0.00 34.13 30.78 1udr s GLU 34 CO -0.00 0.18 -0.18 -1.21 -0.49 0.00 0.00 175.26 173.56 1udr s GLU 35 N -3.62 1.25 -0.01 1.61 2.02 -1.26 -0.51 118.70 118.18 1udr s GLU 35 Ca 0.29 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 53.84 1udr s GLU 35 Cb -0.00 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.93 1udr s GLU 35 CO 0.13 0.27 0.12 0.00 0.02 0.00 0.00 175.26 175.79 1udr s ALA 36 N -2.00 -0.28 -2.08 5.21 0.00 -0.15 -4.88 121.76 117.58 1udr s ALA 36 Ca 0.15 -0.01 0.25 0.00 0.00 0.00 0.00 51.96 52.35 1udr s ALA 36 Cb -0.06 -0.00 0.47 0.00 0.00 0.00 0.00 23.12 23.53 1udr s ALA 36 CO 0.06 -0.15 1.39 -0.85 0.00 0.00 0.00 175.76 176.21 1udr n GLU 37 N 2.00 1.23 -3.83 0.00 0.28 -1.26 -2.22 120.64 116.83 1udr n GLU 37 Ca -0.19 -0.88 -0.01 0.00 -0.16 0.00 0.00 57.16 55.92 1udr n GLU 37 Cb 0.57 -1.48 0.01 0.00 1.43 0.00 0.00 31.44 31.96 1udr n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1udr s ASP 38 N -2.38 -0.04 0.29 -1.84 1.47 -1.26 -2.84 116.67 110.07 1udr s ASP 38 Ca 0.24 -0.40 -0.01 0.00 1.18 0.00 0.00 52.55 53.56 1udr s ASP 38 Cb 0.19 0.34 0.45 0.00 -0.34 0.00 0.00 42.92 43.56 1udr s ASP 38 CO 0.49 -0.66 1.92 1.23 0.68 0.00 0.00 175.17 178.84 1udr h GLY 39 N 2.00 1.33 0.83 2.12 0.00 -1.47 -1.02 103.07 106.86 1udr h GLY 39 Ca -0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1udr h GLY 39 CO 0.31 0.37 -0.09 -2.08 0.00 0.00 0.00 176.54 175.05 1udr h VAL 40 N 1.12 1.30 -0.84 4.60 2.07 -1.88 -1.78 116.25 120.84 1udr h VAL 40 Ca 0.37 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1udr h VAL 40 Cb 0.07 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1udr h VAL 40 CO -0.12 0.35 0.49 -0.78 0.02 0.00 0.00 177.57 177.53 1udr h ASP 41 N 0.18 1.02 -0.24 0.57 3.58 -1.92 -1.38 116.42 118.23 1udr h ASP 41 Ca 0.05 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1udr h ASP 41 Cb 0.58 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1udr h ASP 41 CO 0.03 0.79 0.06 0.00 -2.88 0.00 0.00 179.24 177.24 1udr h ALA 42 N 1.38 0.32 -0.40 -0.78 0.00 -1.05 -2.71 119.26 116.03 1udr h ALA 42 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1udr h ALA 42 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1udr h ALA 42 CO -0.05 -0.03 0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1udr h LEU 43 N 0.22 0.55 -0.90 0.00 3.38 -0.94 0.88 115.31 118.50 1udr h LEU 43 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1udr h LEU 43 Cb 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1udr h LEU 43 CO 0.00 0.56 0.28 0.78 0.09 0.00 0.00 178.44 180.15 1udr h ASN 44 N 0.58 1.00 0.33 -0.43 2.35 -1.08 -2.49 115.58 115.84 1udr h ASN 44 Ca 0.13 -0.15 -0.28 0.00 -0.55 0.00 0.00 56.30 55.45 1udr h ASN 44 Cb 0.24 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 38.36 1udr h ASN 44 CO -0.00 0.90 -1.19 0.11 -1.65 0.00 0.00 177.43 175.59 1udr h LYS 45 N 1.06 0.47 0.00 0.81 1.57 -1.08 -3.25 116.57 116.15 1udr h LYS 45 Ca 0.24 -0.65 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1udr h LYS 45 Cb 0.21 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1udr h LYS 45 CO -0.02 1.28 -0.06 -0.07 -0.57 0.00 0.00 179.45 180.01 1udr h LEU 46 N 0.20 0.00 -1.84 2.94 3.38 -0.70 -2.81 115.31 116.48 1udr h LEU 46 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1udr h LEU 46 Cb 1.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1udr h LEU 46 CO 0.21 0.06 0.11 1.56 0.09 0.00 0.00 178.44 180.47 1udr h GLN 47 N 0.00 0.22 0.00 1.13 1.08 -1.48 -2.01 115.11 114.05 1udr h GLN 47 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1udr h GLN 47 Cb 0.14 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1udr h GLN 47 CO 0.01 0.14 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 1udr h ALA 48 N 1.90 1.00 0.00 3.87 0.00 -1.69 -3.49 119.26 120.85 1udr h ALA 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1udr h ALA 48 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1udr h ALA 48 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1udr n GLY 49 N -0.20 -1.23 0.49 0.00 0.00 -0.76 -5.00 105.19 98.50 1udr n GLY 49 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.21 3.27 3.74 -0.02 0.00 -1.26 -4.97 105.19 104.73 1udr n GLY 50 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.72 3.88 -0.53 1.61 2.02 -1.26 -4.55 117.35 115.81 1udr s TYR 51 Ca 0.00 1.79 0.05 0.00 -0.37 0.00 0.00 57.07 58.54 1udr s TYR 51 Cb 0.00 -2.96 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1udr s TYR 51 CO 0.00 0.35 0.52 0.41 -1.57 0.00 0.00 175.55 175.25 1udr n GLY 52 N 1.90 -0.45 3.62 0.71 0.00 -0.48 -4.97 105.19 105.52 1udr n GLY 52 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.78 -0.70 -0.05 1.61 2.19 -1.14 -4.33 117.98 114.78 1udr s PHE 53 Ca 0.05 1.67 0.03 0.00 0.33 0.00 0.00 56.93 59.01 1udr s PHE 53 Cb 0.04 0.31 0.00 0.00 -1.31 0.00 0.00 43.02 42.06 1udr s PHE 53 CO 0.11 -0.37 -0.14 0.08 1.83 0.00 0.00 175.22 176.73 1udr s VAL 54 N 0.18 1.22 -0.21 3.12 1.01 -0.04 -1.74 120.40 123.95 1udr s VAL 54 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1udr s VAL 54 Cb -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1udr s VAL 54 CO 0.00 0.36 -0.16 -0.63 0.00 0.00 0.00 175.10 174.67 1udr s ILE 55 N 0.29 2.14 0.03 2.22 1.01 -0.43 -0.70 121.20 125.76 1udr s ILE 55 Ca -0.08 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.47 1udr s ILE 55 Cb -0.13 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1udr s ILE 55 CO 0.03 0.35 -0.15 -0.55 0.00 0.00 0.00 174.94 174.61 1udr s SER 56 N 1.23 1.78 0.48 3.58 0.15 -0.55 -0.51 113.70 119.86 1udr s SER 56 Ca 0.00 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.08 1udr s SER 56 Cb -0.15 -0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 63.95 1udr s SER 56 CO -0.10 0.08 0.92 -0.62 1.20 0.00 0.00 173.24 174.71 1udr s ASP 57 N -1.00 6.60 0.06 5.45 2.15 -0.62 0.08 116.67 129.39 1udr s ASP 57 Ca 0.03 1.44 -0.19 0.00 0.43 0.00 0.00 52.55 54.26 1udr s ASP 57 Cb -0.08 -2.45 -0.13 0.00 -0.30 0.00 0.00 42.92 39.97 1udr s ASP 57 CO 0.01 -0.52 1.37 -0.25 -0.17 0.00 0.00 175.17 175.61 1udr h TRP 58 N 1.07 0.54 -3.61 -5.34 2.91 -1.61 -3.19 115.95 106.72 1udr h TRP 58 Ca -0.47 -0.16 -0.68 0.00 1.13 0.00 0.00 58.89 58.71 1udr h TRP 58 Cb 1.18 -0.11 -0.27 0.00 -0.51 0.00 0.00 29.16 29.45 1udr h TRP 58 CO 0.63 0.81 -0.63 1.21 -1.03 0.00 0.00 178.44 179.44 1udr s ASN 59 N -6.23 5.13 0.00 2.65 2.47 -1.26 -1.49 114.94 116.20 1udr s ASN 59 Ca -0.14 -0.83 -0.10 0.00 0.42 0.00 0.00 52.86 52.21 1udr s ASN 59 Cb 0.06 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 38.01 1udr s ASN 59 CO 0.77 -0.22 0.20 -0.04 -3.72 0.00 0.00 177.10 174.09 1udr s MET 60 N 1.46 0.57 0.83 0.43 -1.94 -1.26 -4.80 119.30 114.60 1udr s MET 60 Ca 0.01 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.51 1udr s MET 60 Cb -0.18 0.24 0.09 0.00 2.01 0.00 0.00 34.83 37.00 1udr s MET 60 CO 0.02 -0.15 1.13 -1.25 -0.01 0.00 0.00 175.02 174.77 1udr s PRO 61 N -1.54 1.80 0.00 2.03 0.04 -1.26 -3.52 135.00 132.55 1udr s PRO 61 Ca -0.13 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1udr s PRO 61 Cb -0.06 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1udr s PRO 61 CO 0.02 -1.75 0.00 0.09 0.04 0.00 0.00 177.00 175.40 1udr n ASN 62 N -3.47 0.00 -3.62 6.66 3.02 -1.26 -4.46 115.26 112.14 1udr n ASN 62 Ca 0.07 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.60 1udr n ASN 62 Cb 0.59 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.53 0.93 3.52 1.75 -1.26 -4.87 119.30 119.90 1udr s MET 63 Ca 0.00 1.34 -0.15 0.00 -1.25 0.00 0.00 55.69 55.64 1udr s MET 63 Cb 0.00 0.74 0.17 0.00 2.84 0.00 0.00 34.83 38.59 1udr s MET 63 CO 0.00 -0.24 1.29 0.16 -0.65 0.00 0.00 175.02 175.58 1udr s ASP 64 N 2.84 3.42 0.17 1.11 1.47 -1.23 -1.47 116.67 122.98 1udr s ASP 64 Ca -0.03 0.35 -0.14 0.00 1.18 0.00 0.00 52.55 53.91 1udr s ASP 64 Cb -0.12 -0.49 0.06 0.00 -0.34 0.00 0.00 42.92 42.03 1udr s ASP 64 CO -0.18 -2.55 1.84 1.23 0.68 0.00 0.00 175.17 176.18 1udr h GLY 65 N -1.50 0.73 1.12 2.12 0.00 -1.25 0.39 103.07 104.68 1udr h GLY 65 Ca -0.45 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1udr h GLY 65 CO 0.43 0.26 0.15 -2.00 0.00 0.00 0.00 176.54 175.39 1udr h LEU 66 N 0.69 1.03 -0.55 3.11 5.85 -1.85 -0.57 115.31 123.02 1udr h LEU 66 Ca 0.19 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 1udr h LEU 66 Cb -0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1udr h LEU 66 CO -0.05 0.99 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.74 1udr h GLU 67 N 1.03 0.93 -0.46 1.25 4.57 -1.87 -1.32 114.58 118.71 1udr h GLU 67 Ca 0.21 -0.39 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1udr h GLU 67 Cb 0.38 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1udr h GLU 67 CO 0.00 1.05 0.13 1.25 -1.18 0.00 0.00 179.01 180.26 1udr h LEU 68 N 0.80 0.68 -0.53 1.64 5.85 -0.61 -1.48 115.31 121.65 1udr h LEU 68 Ca 0.10 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1udr h LEU 68 Cb 0.79 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1udr h LEU 68 CO 0.07 0.72 0.28 0.25 -0.34 0.00 0.00 178.44 179.42 1udr h LEU 69 N 0.61 0.68 -0.88 2.25 5.85 -0.91 -0.87 115.31 122.04 1udr h LEU 69 Ca 0.15 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1udr h LEU 69 Cb 0.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1udr h LEU 69 CO -0.00 0.59 0.07 0.11 -0.34 0.00 0.00 178.44 178.87 1udr h LYS 70 N 0.72 0.90 -0.48 1.25 1.57 -1.11 -1.45 116.57 117.97 1udr h LYS 70 Ca 0.19 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1udr h LYS 70 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1udr h LYS 70 CO -0.03 0.85 0.00 1.15 -0.57 0.00 0.00 179.45 180.86 1udr h THR 71 N 0.85 1.26 0.27 -0.16 2.02 -0.85 -1.66 112.91 114.64 1udr h THR 71 Ca 0.17 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1udr h THR 71 Cb 0.41 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1udr h THR 71 CO 0.01 0.37 -0.13 0.40 0.37 0.00 0.00 175.52 176.54 1udr h ILE 72 N 0.70 0.77 -0.17 3.11 2.04 -0.98 -2.11 117.51 120.88 1udr h ILE 72 Ca 0.14 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1udr h ILE 72 Cb 0.50 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1udr h ILE 72 CO 0.02 0.05 0.12 0.03 0.00 0.00 0.00 178.15 178.37 1udr h ARG 73 N -0.48 0.06 0.00 2.37 2.47 -1.22 -0.38 114.38 117.20 1udr h ARG 73 Ca -0.04 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1udr h ARG 73 Cb 0.36 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1udr h ARG 73 CO 0.06 0.04 -0.19 0.00 0.56 0.00 0.00 179.97 180.44 1udr n ALA 74 N -2.56 2.67 -2.59 0.04 0.00 -0.63 -4.65 120.51 112.79 1udr n ALA 74 Ca 0.01 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1udr n ALA 74 Cb 0.21 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.48 6.47 0.55 0.00 -1.08 -0.15 -4.95 116.67 114.03 1udr s ASP 75 Ca 0.12 0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.68 1udr s ASP 75 Cb 0.17 -2.33 1.47 0.00 -1.46 0.00 0.00 42.92 40.76 1udr s ASP 75 CO 0.61 -0.55 2.12 1.23 0.52 0.00 0.00 175.17 179.10 1udr h GLY 76 N 9.29 0.00 1.73 2.66 0.00 -1.86 0.47 103.07 115.36 1udr h GLY 76 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1udr h GLY 76 CO 0.82 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.36 1udr n ALA 77 N -2.48 2.31 -2.09 3.60 0.00 -1.26 -4.09 120.51 116.49 1udr n ALA 77 Ca 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 1udr n ALA 77 Cb 0.27 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 1udr n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1udr n MET 78 N -1.37 0.22 0.28 0.00 0.00 -0.36 -4.99 117.12 110.90 1udr n MET 78 Ca 0.11 -0.99 0.13 0.00 0.00 0.00 0.00 57.70 56.94 1udr n MET 78 Cb 0.25 0.49 0.79 0.00 0.00 0.00 0.00 33.22 34.75 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 0.16 0.00 -0.66 3.17 4.64 -0.21 -2.72 113.55 117.93 1udr h SER 79 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1udr h SER 79 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1udr h SER 79 CO -0.26 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 1udr n ALA 80 N -2.34 2.35 -1.69 5.18 0.00 -1.26 -4.37 120.51 118.37 1udr n ALA 80 Ca -0.03 -1.28 -0.44 0.00 0.00 0.00 0.00 53.44 51.69 1udr n ALA 80 Cb 0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1udr n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1udr n LEU 81 N 1.41 3.68 -4.73 0.00 7.94 -1.03 -4.90 117.00 119.36 1udr n LEU 81 Ca 0.22 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.74 1udr n LEU 81 Cb 0.59 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1udr n LEU 81 CO 0.15 0.01 1.18 -2.84 -1.11 0.00 0.00 177.39 174.78 1udr s PRO 82 N 1.94 4.23 -0.09 1.96 0.02 -1.26 -4.93 135.00 136.87 1udr s PRO 82 Ca 0.80 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 64.18 1udr s PRO 82 Cb -0.57 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 30.86 1udr s PRO 82 CO 0.38 -0.53 -0.04 0.08 -0.33 0.00 0.00 177.00 176.56 1udr s VAL 83 N 0.49 0.71 -0.29 3.83 1.01 -1.26 -0.86 120.40 124.03 1udr s VAL 83 Ca 0.64 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 1udr s VAL 83 Cb -0.43 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1udr s VAL 83 CO 0.39 0.31 0.11 -0.22 0.00 0.00 0.00 175.10 175.69 1udr s LEU 84 N 1.83 3.84 -0.04 3.92 2.96 0.12 -0.30 118.68 131.01 1udr s LEU 84 Ca 0.05 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 1udr s LEU 84 Cb -0.12 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1udr s LEU 84 CO -0.07 -0.14 0.53 -0.32 -1.32 0.00 0.00 176.35 175.03 1udr s MET 85 N 1.59 4.26 -0.19 1.98 -2.45 -0.66 -1.48 119.30 122.35 1udr s MET 85 Ca 0.05 0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 54.99 1udr s MET 85 Cb -0.16 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.52 1udr s MET 85 CO 0.05 0.35 0.12 0.08 1.05 0.00 0.00 175.02 176.66 1udr s VAL 86 N -0.07 5.28 0.08 10.11 1.01 0.11 -1.25 120.40 135.67 1udr s VAL 86 Ca 0.28 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1udr s VAL 86 Cb -0.17 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1udr s VAL 86 CO 0.14 0.46 -0.10 0.28 0.00 0.00 0.00 175.10 175.89 1udr s THR 87 N 0.23 0.84 -0.04 3.92 -1.32 -0.42 -1.44 115.64 117.41 1udr s THR 87 Ca 0.08 -1.46 0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1udr s THR 87 Cb -0.11 -1.14 -0.15 0.00 -1.51 0.00 0.00 72.50 69.58 1udr s THR 87 CO -0.01 -0.49 0.98 0.00 -2.21 0.00 0.00 174.62 172.89 1udr h ALA 88 N 3.87 0.62 -3.32 11.08 0.00 -1.87 0.28 119.26 129.92 1udr h ALA 88 Ca -0.37 -1.00 -0.56 0.00 0.00 0.00 0.00 54.91 52.98 1udr h ALA 88 Cb 1.19 0.18 -0.34 0.00 0.00 0.00 0.00 17.79 18.82 1udr h ALA 88 CO 0.49 1.17 -0.83 -1.21 0.00 0.00 0.00 179.25 178.87 1udr s GLU 89 N -2.77 1.98 -0.44 0.00 2.02 -1.26 -4.67 118.70 113.56 1udr s GLU 89 Ca -0.01 -0.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 1udr s GLU 89 Cb 0.09 -1.69 -0.15 0.00 0.10 0.00 0.00 34.13 32.47 1udr s GLU 89 CO 0.81 -0.04 3.29 0.00 0.02 0.00 0.00 175.26 179.33 1udr n ALA 90 N 4.10 6.63 -2.15 5.21 0.00 -1.26 -4.92 120.51 128.12 1udr n ALA 90 Ca -0.20 -2.48 -0.42 0.00 0.00 0.00 0.00 53.44 50.34 1udr n ALA 90 Cb 0.51 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1udr n ALA 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1udr s ASP 91 N 1.63 6.80 0.50 0.00 1.01 -1.26 -4.88 116.67 120.47 1udr s ASP 91 Ca 0.65 2.29 0.27 0.00 0.71 0.00 0.00 52.55 56.47 1udr s ASP 91 Cb 0.30 -2.58 1.36 0.00 1.01 0.00 0.00 42.92 43.01 1udr s ASP 91 CO -0.06 -0.70 1.90 0.00 0.21 0.00 0.00 175.17 176.52 1udr h ALA 92 N 7.28 2.61 0.24 5.23 0.00 -1.99 0.26 119.26 132.90 1udr h ALA 92 Ca -0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1udr h ALA 92 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1udr h ALA 92 CO 0.88 -0.86 -0.12 1.49 0.00 0.00 0.00 179.25 180.65 1udr h GLU 93 N 0.11 -0.32 -0.45 0.00 4.81 -1.98 -2.09 114.58 114.66 1udr h GLU 93 Ca 0.41 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1udr h GLU 93 Cb 1.44 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 1udr h GLU 93 CO -0.05 -0.11 0.25 -0.91 -0.73 0.00 0.00 179.01 177.46 1udr h ASN 94 N -0.47 0.55 -0.68 1.04 2.35 -0.98 -2.25 115.58 115.14 1udr h ASN 94 Ca -0.03 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1udr h ASN 94 Cb 0.36 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1udr h ASN 94 CO 0.06 0.48 0.45 0.40 -1.65 0.00 0.00 177.43 177.17 1udr h ILE 95 N 0.59 1.00 0.42 2.81 2.04 -0.84 -0.46 117.51 123.06 1udr h ILE 95 Ca 0.16 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1udr h ILE 95 Cb 0.04 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1udr h ILE 95 CO -0.03 0.12 -0.20 0.50 0.00 0.00 0.00 178.15 178.55 1udr h LYS 96 N 0.68 -0.55 -0.91 2.37 3.11 -0.81 -2.18 116.57 118.30 1udr h LYS 96 Ca 0.30 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.25 1udr h LYS 96 Cb 0.29 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.58 1udr h LYS 96 CO -0.10 -0.25 0.59 0.00 -2.81 0.00 0.00 179.45 176.88 1udr h ALA 97 N -0.40 1.55 -0.32 5.00 0.00 -1.04 0.82 119.26 124.87 1udr h ALA 97 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1udr h ALA 97 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1udr h ALA 97 CO 0.10 0.29 0.11 -0.07 0.00 0.00 0.00 179.25 179.67 1udr h LEU 98 N 0.98 0.46 -0.40 0.00 3.38 -1.06 0.79 115.31 119.46 1udr h LEU 98 Ca 0.40 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1udr h LEU 98 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1udr h LEU 98 CO -0.16 0.53 -0.15 0.00 0.09 0.00 0.00 178.44 178.75 1udr h ALA 99 N 0.95 0.56 -0.62 1.53 0.00 -0.95 0.13 119.26 120.86 1udr h ALA 99 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1udr h ALA 99 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1udr h ALA 99 CO -0.00 0.48 0.23 1.96 0.00 0.00 0.00 179.25 181.92 1udr h GLN 100 N 0.62 0.91 0.00 0.00 4.20 -0.67 -1.61 115.11 118.56 1udr h GLN 100 Ca 0.10 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1udr h GLN 100 Cb 0.69 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1udr h GLN 100 CO 0.05 0.75 -0.02 0.00 -0.67 0.00 0.00 178.83 178.94 1udr n ALA 101 N -2.45 2.38 -0.71 3.87 0.00 0.26 -4.94 120.51 118.92 1udr n ALA 101 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1udr n ALA 101 Cb 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.50 1.31 3.76 0.00 0.00 -0.61 -4.69 105.19 106.47 1udr n GLY 102 Ca 0.07 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 3.07 0.14 4.61 0.00 0.39 -4.88 121.76 123.09 1udr s ALA 103 Ca 0.00 1.27 0.21 0.00 0.00 0.00 0.00 51.96 53.44 1udr s ALA 103 Cb 0.00 -3.52 0.75 0.00 0.00 0.00 0.00 23.12 20.35 1udr s ALA 103 CO 0.00 -1.06 1.76 0.77 0.00 0.00 0.00 175.76 177.23 1udr h SER 104 N 2.10 0.00 0.00 0.00 0.02 -0.99 -3.45 113.55 111.22 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 0.60 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1udr n GLY 105 N 0.24 -1.56 3.25 -3.77 0.00 -1.19 -4.88 105.19 97.27 1udr n GLY 105 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.26 0.11 -0.06 1.61 1.13 -1.26 -1.66 117.35 114.97 1udr s TYR 106 Ca 0.00 -0.51 -0.05 0.00 -1.41 0.00 0.00 57.07 55.10 1udr s TYR 106 Cb 0.00 0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.88 1udr s TYR 106 CO 0.00 -0.60 0.15 0.54 -2.51 0.00 0.00 175.55 173.13 1udr s VAL 107 N -3.86 0.00 -0.04 -3.49 0.11 -0.38 -4.92 120.40 107.82 1udr s VAL 107 Ca 0.06 -0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.92 1udr s VAL 107 Cb 0.04 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1udr s VAL 107 CO -0.10 -0.00 0.52 -0.69 -3.33 0.00 0.00 175.10 171.50 1udr s VAL 108 N 0.07 5.02 0.12 2.04 1.01 -1.26 -1.30 120.40 126.11 1udr s VAL 108 Ca -0.00 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1udr s VAL 108 Cb -0.01 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1udr s VAL 108 CO 0.00 0.41 0.32 -1.59 0.00 0.00 0.00 175.10 174.24 1udr s LYS 109 N -0.06 3.53 0.52 2.72 -2.85 0.09 -3.97 119.74 119.72 1udr s LYS 109 Ca 0.28 -0.27 -0.17 0.00 -1.00 0.00 0.00 55.97 54.81 1udr s LYS 109 Cb -0.17 -2.92 -0.07 0.00 -2.06 0.00 0.00 37.83 32.61 1udr s LYS 109 CO 0.14 0.51 1.01 -1.25 0.10 0.00 0.00 175.35 175.86 1udr s PRO 110 N -2.73 3.76 0.07 1.78 0.04 -1.26 -4.72 135.00 131.94 1udr s PRO 110 Ca 0.38 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1udr s PRO 110 Cb -0.12 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1udr s PRO 110 CO 0.27 -0.44 -0.05 -0.59 0.04 0.00 0.00 177.00 176.22 1udr s PHE 111 N -2.41 0.69 0.60 0.56 -0.12 -1.26 -5.17 117.98 110.88 1udr s PHE 111 Ca 0.62 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1udr s PHE 111 Cb -0.13 -0.43 0.06 0.00 -0.63 0.00 0.00 43.02 41.89 1udr s PHE 111 CO 0.29 -0.22 0.85 0.95 -0.05 0.00 0.00 175.22 177.04 1udr s THR 112 N -3.23 2.51 0.29 -4.49 -4.23 -1.26 -4.96 115.64 100.26 1udr s THR 112 Ca 0.05 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1udr s THR 112 Cb 0.03 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 71.13 1udr s THR 112 CO -0.05 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.86 1udr h ALA 113 N -0.12 1.24 -0.44 3.99 0.00 -1.99 -2.00 119.26 119.94 1udr h ALA 113 Ca -0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1udr h ALA 113 Cb 1.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1udr h ALA 113 CO 0.50 0.52 0.19 0.00 0.00 0.00 0.00 179.25 180.45 1udr h ALA 114 N 1.38 0.57 -0.48 0.00 0.00 -1.98 -0.34 119.26 118.41 1udr h ALA 114 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1udr h ALA 114 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1udr h ALA 114 CO 0.00 0.17 0.01 1.15 0.00 0.00 0.00 179.25 180.58 1udr h THR 115 N 0.57 1.26 -0.22 0.00 2.02 -1.89 -1.55 112.91 113.10 1udr h THR 115 Ca 0.15 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1udr h THR 115 Cb 0.17 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1udr h THR 115 CO -0.01 0.36 0.14 0.25 0.37 0.00 0.00 175.52 176.63 1udr h LEU 116 N 0.69 0.25 -0.83 2.58 5.85 -1.19 -0.95 115.31 121.71 1udr h LEU 116 Ca 0.14 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1udr h LEU 116 Cb 0.49 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1udr h LEU 116 CO 0.02 0.18 0.53 -0.08 -0.34 0.00 0.00 178.44 178.75 1udr h GLU 117 N 0.29 1.00 -0.57 1.25 4.81 -0.92 0.26 114.58 120.70 1udr h GLU 117 Ca 0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1udr h GLU 117 Cb -0.03 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1udr h GLU 117 CO -0.02 0.66 0.25 0.93 -0.73 0.00 0.00 179.01 180.10 1udr h GLU 118 N 1.03 0.83 -0.33 1.92 5.08 -0.89 0.55 114.58 122.77 1udr h GLU 118 Ca 0.33 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1udr h GLU 118 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1udr h GLU 118 CO -0.12 0.70 0.13 0.87 -1.00 0.00 0.00 179.01 179.60 1udr h LYS 119 N 0.77 0.49 -0.43 2.33 1.79 -0.60 -1.63 116.57 119.29 1udr h LYS 119 Ca 0.19 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1udr h LYS 119 Cb 0.16 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1udr h LYS 119 CO -0.02 0.49 0.17 -0.07 -1.08 0.00 0.00 179.45 178.94 1udr h LEU 120 N 0.38 0.60 -1.39 2.94 3.38 -0.79 -2.73 115.31 117.70 1udr h LEU 120 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1udr h LEU 120 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1udr h LEU 120 CO -0.01 0.61 0.41 0.78 0.09 0.00 0.00 178.44 180.32 1udr h ASN 121 N 0.56 0.71 0.06 -0.43 2.35 -0.74 -0.29 115.58 117.80 1udr h ASN 121 Ca 0.14 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1udr h ASN 121 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1udr h ASN 121 CO -0.01 0.51 -0.35 0.50 -1.65 0.00 0.00 177.43 176.43 1udr h LYS 122 N 0.84 0.41 0.05 0.81 3.64 -1.01 -1.64 116.57 119.66 1udr h LYS 122 Ca 0.23 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1udr h LYS 122 Cb -0.09 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1udr h LYS 122 CO -0.05 0.71 -0.64 0.82 -2.27 0.00 0.00 179.45 178.02 1udr h ILE 123 N 0.35 1.47 -0.33 2.00 2.04 -1.07 -2.74 117.51 119.24 1udr h ILE 123 Ca 0.04 -2.24 0.04 0.00 1.00 0.00 0.00 64.86 63.70 1udr h ILE 123 Cb 0.78 2.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.66 1udr h ILE 123 CO 0.06 0.64 0.08 -0.26 0.00 0.00 0.00 178.15 178.68 1udr h PHE 124 N -0.25 0.14 -0.78 1.37 0.04 -1.06 -1.28 116.94 115.13 1udr h PHE 124 Ca -0.09 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1udr h PHE 124 Cb 1.40 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.50 1udr h PHE 124 CO 0.17 0.04 0.52 1.49 -0.60 0.00 0.00 178.31 179.93 1udr h GLU 125 N 0.21 1.02 -0.47 1.51 4.81 -1.39 0.12 114.58 120.39 1udr h GLU 125 Ca 0.15 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1udr h GLU 125 Cb 0.15 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1udr h GLU 125 CO -0.19 0.68 0.01 -0.22 -0.73 0.00 0.00 179.01 178.56 1udr h LYS 126 N 1.06 0.78 -0.01 1.92 3.64 -1.07 -2.76 116.57 120.12 1udr h LYS 126 Ca 0.29 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1udr h LYS 126 Cb -0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1udr h LYS 126 CO -0.07 0.78 -0.14 1.28 -2.27 0.00 0.00 179.45 179.04 1udr n LEU 127 N -4.22 0.83 -2.06 5.20 4.32 -0.54 -4.94 117.00 115.59 1udr n LEU 127 Ca 0.03 -0.18 -0.08 0.00 -0.02 0.00 0.00 56.01 55.75 1udr n LEU 127 Cb 0.29 -0.12 0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1udr n LEU 127 CO 0.41 0.15 0.06 0.61 -1.22 0.00 0.00 177.39 177.41 1udr n GLY 128 N 1.27 0.12 0.16 -0.72 0.00 -0.49 -5.07 105.19 100.45 1udr n GLY 128 Ca 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1udr n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35