#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udr n GLU 5 N 0.00 1.81 -2.30 -1.58 -0.58 -1.26 -4.53 120.64 112.20 1udr n GLU 5 Ca 0.00 -1.06 -0.40 0.00 -0.42 0.00 0.00 57.16 55.27 1udr n GLU 5 Cb 0.00 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 1udr n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1udr s LEU 6 N -0.59 4.49 -0.37 -4.62 2.96 -1.26 -4.86 118.68 114.44 1udr s LEU 6 Ca 0.46 2.47 -0.22 0.00 -0.22 0.00 0.00 54.13 56.62 1udr s LEU 6 Cb 0.25 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1udr s LEU 6 CO -0.04 -0.34 0.73 -0.75 -1.32 0.00 0.00 176.35 174.63 1udr s LYS 7 N -1.58 3.69 0.13 1.98 2.20 -1.26 -4.39 119.74 120.51 1udr s LYS 7 Ca 0.47 0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 56.23 1udr s LYS 7 Cb -0.36 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 1udr s LYS 7 CO 0.47 -0.84 0.33 -0.06 -0.36 0.00 0.00 175.35 174.89 1udr s PHE 8 N 2.98 3.49 -0.14 4.03 0.40 -0.30 -0.37 117.98 128.06 1udr s PHE 8 Ca 0.29 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 1udr s PHE 8 Cb -0.14 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.54 1udr s PHE 8 CO 0.17 0.47 -0.11 -1.17 0.70 0.00 0.00 175.22 175.28 1udr s LEU 9 N -2.79 1.56 -0.25 -0.37 2.96 -0.76 -0.57 118.68 118.45 1udr s LEU 9 Ca 0.38 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 1udr s LEU 9 Cb -0.12 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1udr s LEU 9 CO 0.27 -0.09 0.12 -0.69 -1.32 0.00 0.00 176.35 174.63 1udr s VAL 10 N 1.57 4.81 -0.18 1.68 1.01 -0.27 -1.33 120.40 127.69 1udr s VAL 10 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1udr s VAL 10 Cb -0.13 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1udr s VAL 10 CO -0.09 0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 1udr s VAL 11 N 1.43 2.32 -0.25 2.92 1.01 0.51 -1.22 120.40 127.11 1udr s VAL 11 Ca 0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1udr s VAL 11 Cb -0.15 -1.98 0.13 0.00 0.00 0.00 0.00 36.38 34.38 1udr s VAL 11 CO 0.06 0.52 1.07 -0.62 0.00 0.00 0.00 175.10 176.13 1udr s ASP 12 N 1.23 -0.38 0.15 3.32 -1.08 -0.93 -0.96 116.67 118.03 1udr s ASP 12 Ca 0.03 0.65 0.27 0.00 -0.52 0.00 0.00 52.55 52.98 1udr s ASP 12 Cb -0.14 0.63 0.93 0.00 -1.46 0.00 0.00 42.92 42.88 1udr s ASP 12 CO -0.09 -0.18 1.82 -0.90 0.52 0.00 0.00 175.17 176.33 1udr n ASP 13 N 1.72 0.59 -4.46 -0.34 5.75 -1.07 -4.31 116.55 114.44 1udr n ASP 13 Ca -0.11 0.56 -0.44 0.00 -0.01 0.00 0.00 54.79 54.79 1udr n ASP 13 Cb 0.57 -0.71 -0.06 0.00 -1.03 0.00 0.00 41.12 39.88 1udr n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1udr s PHE 14 N -3.08 3.04 0.36 2.11 5.36 -1.26 -4.95 117.98 119.56 1udr s PHE 14 Ca 0.11 -0.46 0.10 0.00 -0.96 0.00 0.00 56.93 55.72 1udr s PHE 14 Cb 0.14 -3.53 0.84 0.00 -0.34 0.00 0.00 43.02 40.13 1udr s PHE 14 CO 0.57 -1.03 1.87 0.66 -1.46 0.00 0.00 175.22 175.83 1udr h SER 15 N 8.99 0.63 -0.97 6.13 4.64 -1.99 -1.59 113.55 129.39 1udr h SER 15 Ca -0.27 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.11 1udr h SER 15 Cb 1.09 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 1udr h SER 15 CO 0.96 0.31 0.64 0.74 -0.87 0.00 0.00 176.83 178.61 1udr h THR 16 N 0.66 1.21 -0.25 2.95 2.02 -1.97 -1.12 112.91 116.42 1udr h THR 16 Ca 0.45 -0.44 -0.19 0.00 0.77 0.00 0.00 66.41 67.00 1udr h THR 16 Cb 0.76 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1udr h THR 16 CO -0.21 0.23 -0.60 -0.03 0.37 0.00 0.00 175.52 175.28 1udr h MET 17 N 1.27 0.83 -0.59 6.66 -1.53 -1.71 -2.15 114.93 117.71 1udr h MET 17 Ca 0.37 -0.56 0.01 0.00 -3.44 0.00 0.00 59.70 56.08 1udr h MET 17 Cb -0.08 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 1udr h MET 17 CO -0.10 1.19 0.38 0.00 0.14 0.00 0.00 176.91 178.52 1udr h ARG 18 N 0.62 0.75 -0.05 0.39 3.08 -1.16 -1.11 114.38 116.89 1udr h ARG 18 Ca -0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1udr h ARG 18 Cb 1.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1udr h ARG 18 CO 0.13 0.49 -0.37 0.00 -1.07 0.00 0.00 179.97 179.15 1udr h ARG 19 N 0.77 0.11 -0.07 0.04 3.08 -1.17 -1.32 114.38 115.82 1udr h ARG 19 Ca 0.22 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1udr h ARG 19 Cb -0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1udr h ARG 19 CO -0.07 0.47 -0.03 0.82 -1.07 0.00 0.00 179.97 180.10 1udr h ILE 20 N 0.10 1.32 -0.72 2.04 2.04 -0.90 -2.18 117.51 119.20 1udr h ILE 20 Ca 0.01 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1udr h ILE 20 Cb 0.71 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1udr h ILE 20 CO 0.05 0.28 0.35 0.58 0.00 0.00 0.00 178.15 179.42 1udr h VAL 21 N -0.23 1.23 -0.71 1.67 2.07 -1.11 -0.59 116.25 118.58 1udr h VAL 21 Ca 0.02 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1udr h VAL 21 Cb 0.47 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1udr h VAL 21 CO 0.01 0.28 0.47 -0.09 0.02 0.00 0.00 177.57 178.26 1udr h ARG 22 N 1.01 0.94 -0.18 1.57 2.43 -1.25 -1.45 114.38 117.44 1udr h ARG 22 Ca 0.25 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 1udr h ARG 22 Cb 0.11 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1udr h ARG 22 CO -0.03 0.62 -0.46 -0.91 -1.51 0.00 0.00 179.97 177.68 1udr h ASN 23 N 0.97 0.50 -0.06 -3.80 2.35 -0.86 -1.88 115.58 112.80 1udr h ASN 23 Ca 0.26 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1udr h ASN 23 Cb -0.11 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1udr h ASN 23 CO -0.06 0.89 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.29 1udr h LEU 24 N 0.37 0.49 -0.54 1.61 3.38 -0.73 -1.09 115.31 118.80 1udr h LEU 24 Ca 0.02 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1udr h LEU 24 Cb 0.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1udr h LEU 24 CO 0.08 0.74 -0.33 -0.07 0.09 0.00 0.00 178.44 178.96 1udr h LEU 25 N 0.43 0.86 -0.69 1.67 3.38 -1.08 -1.84 115.31 118.04 1udr h LEU 25 Ca 0.06 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1udr h LEU 25 Cb 0.67 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1udr h LEU 25 CO 0.05 1.11 0.35 0.50 0.09 0.00 0.00 178.44 180.54 1udr h LYS 26 N 0.69 0.97 -0.54 1.13 3.64 -0.95 0.21 116.57 121.73 1udr h LYS 26 Ca 0.07 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1udr h LYS 26 Cb 0.88 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1udr h LYS 26 CO 0.08 0.75 0.34 1.49 -2.27 0.00 0.00 179.45 179.84 1udr h GLU 27 N 0.95 0.72 -0.00 1.90 4.57 -0.92 -1.27 114.58 120.52 1udr h GLU 27 Ca 0.24 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1udr h GLU 27 Cb 0.08 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1udr h GLU 27 CO -0.03 0.49 -0.08 1.28 -1.18 0.00 0.00 179.01 179.49 1udr n LEU 28 N -4.44 0.55 0.00 1.64 4.77 -0.68 -4.93 117.00 113.91 1udr n LEU 28 Ca 0.05 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1udr n LEU 28 Cb 0.06 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1udr n LEU 28 CO 0.36 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1udr n GLY 29 N 1.23 0.60 3.48 -0.72 0.00 -0.48 -4.81 105.19 104.48 1udr n GLY 29 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.22 -1.20 1.61 0.08 0.64 -3.77 117.98 116.56 1udr s PHE 30 Ca 0.00 -0.44 0.13 0.00 0.12 0.00 0.00 56.93 56.74 1udr s PHE 30 Cb 0.00 -2.67 -0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1udr s PHE 30 CO 0.00 -0.58 0.74 0.09 -0.10 0.00 0.00 175.22 175.37 1udr n ASN 31 N 5.30 1.43 -4.37 1.36 5.03 -1.26 -2.89 115.26 119.85 1udr n ASN 31 Ca -0.10 -1.21 -0.46 0.00 0.87 0.00 0.00 54.58 53.68 1udr n ASN 31 Cb 0.48 0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 39.67 1udr n ASN 31 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1udr s ASN 32 N -1.61 6.55 -0.04 6.41 3.84 -1.26 -5.00 114.94 123.83 1udr s ASN 32 Ca 0.11 -2.15 -0.01 0.00 0.21 0.00 0.00 52.86 51.02 1udr s ASN 32 Cb 0.10 -2.28 0.03 0.00 -0.55 0.00 0.00 41.25 38.55 1udr s ASN 32 CO 0.32 -0.86 0.06 -0.69 -2.79 0.00 0.00 177.10 173.15 1udr s VAL 33 N 1.56 -0.09 0.36 -5.21 1.01 -1.26 -1.16 120.40 115.61 1udr s VAL 33 Ca 0.19 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1udr s VAL 33 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1udr s VAL 33 CO -0.05 0.12 0.15 -1.61 0.00 0.00 0.00 175.10 173.72 1udr s GLU 34 N 1.56 2.31 0.11 2.72 2.02 0.26 -4.97 118.70 122.71 1udr s GLU 34 Ca -0.03 -1.64 0.07 0.00 0.02 0.00 0.00 54.97 53.39 1udr s GLU 34 Cb -0.12 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1udr s GLU 34 CO -0.04 0.04 -0.18 -1.21 0.02 0.00 0.00 175.26 173.90 1udr s GLU 35 N -3.86 1.08 0.01 1.61 2.02 -1.26 -1.11 118.70 117.18 1udr s GLU 35 Ca 0.39 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1udr s GLU 35 Cb -0.01 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 1udr s GLU 35 CO 0.23 0.26 -0.02 0.00 0.02 0.00 0.00 175.26 175.75 1udr s ALA 36 N -1.54 0.08 -0.34 5.21 0.00 -0.36 -4.91 121.76 119.90 1udr s ALA 36 Ca 0.07 -0.29 0.22 0.00 0.00 0.00 0.00 51.96 51.96 1udr s ALA 36 Cb -0.08 0.07 0.19 0.00 0.00 0.00 0.00 23.12 23.29 1udr s ALA 36 CO 0.04 -0.07 1.37 1.05 0.00 0.00 0.00 175.76 178.15 1udr h GLU 37 N 5.43 0.00 -2.66 0.00 4.11 -1.87 -2.47 114.58 117.12 1udr h GLU 37 Ca -0.28 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.26 1udr h GLU 37 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1udr h GLU 37 CO 0.46 0.04 0.49 0.16 0.07 0.00 0.00 179.01 180.24 1udr s ASP 38 N -5.91 -0.00 0.47 3.06 1.47 -1.26 -2.60 116.67 111.89 1udr s ASP 38 Ca 0.04 -0.79 0.12 0.00 1.18 0.00 0.00 52.55 53.10 1udr s ASP 38 Cb 0.07 0.60 1.09 0.00 -0.34 0.00 0.00 42.92 44.33 1udr s ASP 38 CO 0.72 -1.19 2.10 1.23 0.68 0.00 0.00 175.17 178.71 1udr h GLY 39 N 2.00 0.21 0.70 2.12 0.00 -1.45 -1.47 103.07 105.17 1udr h GLY 39 Ca -0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1udr h GLY 39 CO 0.37 0.08 -0.06 -2.08 0.00 0.00 0.00 176.54 174.85 1udr h VAL 40 N 0.20 1.04 -0.68 4.60 2.07 -1.87 -0.73 116.25 120.88 1udr h VAL 40 Ca 0.05 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1udr h VAL 40 Cb 0.02 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1udr h VAL 40 CO -0.01 0.16 0.42 -0.78 0.02 0.00 0.00 177.57 177.38 1udr h ASP 41 N -0.46 0.68 -0.08 0.57 3.58 -1.93 -1.14 116.42 117.64 1udr h ASP 41 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1udr h ASP 41 Cb 0.38 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1udr h ASP 41 CO 0.03 0.47 0.05 0.00 -2.88 0.00 0.00 179.24 176.90 1udr h ALA 42 N 1.30 0.10 -0.62 -0.78 0.00 -1.20 -1.85 119.26 116.21 1udr h ALA 42 Ca 0.28 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1udr h ALA 42 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1udr h ALA 42 CO -0.12 -0.38 0.37 -0.07 0.00 0.00 0.00 179.25 179.06 1udr h LEU 43 N 0.06 0.58 -1.02 0.00 3.38 -0.82 0.91 115.31 118.41 1udr h LEU 43 Ca 0.03 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1udr h LEU 43 Cb 0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1udr h LEU 43 CO -0.01 0.40 0.64 0.78 0.09 0.00 0.00 178.44 180.35 1udr h ASN 44 N 0.71 1.01 -0.15 -0.43 2.35 -0.94 -0.75 115.58 117.38 1udr h ASN 44 Ca 0.26 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.96 1udr h ASN 44 Cb 0.08 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1udr h ASN 44 CO -0.13 0.63 -0.16 0.11 -1.65 0.00 0.00 177.43 176.22 1udr h LYS 45 N 1.14 0.38 -0.14 0.81 1.57 -0.42 -3.14 116.57 116.76 1udr h LYS 45 Ca 0.45 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1udr h LYS 45 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1udr h LYS 45 CO -0.19 0.77 0.09 -0.07 -0.57 0.00 0.00 179.45 179.47 1udr h LEU 46 N 0.01 0.16 -1.63 2.94 3.38 -0.33 -0.93 115.31 118.91 1udr h LEU 46 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1udr h LEU 46 Cb 0.70 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1udr h LEU 46 CO 0.04 0.12 0.05 1.56 0.09 0.00 0.00 178.44 180.30 1udr h GLN 47 N 0.19 0.29 0.00 1.13 1.08 -1.10 -0.34 115.11 116.35 1udr h GLN 47 Ca 0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1udr h GLN 47 Cb -0.01 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1udr h GLN 47 CO -0.01 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.14 1udr h ALA 48 N 1.77 1.00 -1.04 3.87 0.00 -1.20 -3.49 119.26 120.17 1udr h ALA 48 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1udr h ALA 48 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1udr h ALA 48 CO -0.00 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.32 1udr n GLY 49 N -0.33 -2.51 0.00 0.00 0.00 -0.14 -5.00 105.19 97.20 1udr n GLY 49 Ca -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.88 1.01 3.86 -0.02 0.00 -1.26 -4.95 105.19 100.95 1udr n GLY 50 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 3.43 0.00 1.61 2.02 -1.26 -4.62 117.35 116.49 1udr s TYR 51 Ca 0.00 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1udr s TYR 51 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1udr s TYR 51 CO 0.00 0.24 0.30 0.41 -1.57 0.00 0.00 175.55 174.93 1udr n GLY 52 N -0.09 -0.52 3.63 0.71 0.00 0.51 -4.94 105.19 104.48 1udr n GLY 52 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.17 -0.57 -0.05 1.61 2.19 -1.12 -4.34 117.98 115.53 1udr s PHE 53 Ca 0.00 1.36 0.04 0.00 0.33 0.00 0.00 56.93 58.66 1udr s PHE 53 Cb 0.00 0.34 -0.00 0.00 -1.31 0.00 0.00 43.02 42.05 1udr s PHE 53 CO 0.00 -0.30 -0.17 0.08 1.83 0.00 0.00 175.22 176.65 1udr s VAL 54 N 0.11 1.47 -0.17 3.12 1.01 -0.13 -1.82 120.40 123.98 1udr s VAL 54 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1udr s VAL 54 Cb -0.04 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1udr s VAL 54 CO -0.03 0.42 -0.17 -0.63 0.00 0.00 0.00 175.10 174.69 1udr s ILE 55 N 0.10 1.88 0.02 2.22 1.01 -0.44 -0.22 121.20 125.76 1udr s ILE 55 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1udr s ILE 55 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1udr s ILE 55 CO 0.03 0.49 -0.10 -0.55 0.00 0.00 0.00 174.94 174.80 1udr s SER 56 N 1.36 1.21 0.43 3.58 0.15 -0.46 -0.37 113.70 119.61 1udr s SER 56 Ca 0.05 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.19 1udr s SER 56 Cb -0.13 -0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.00 1udr s SER 56 CO -0.12 0.03 0.91 -0.62 1.20 0.00 0.00 173.24 174.64 1udr s ASP 57 N -0.75 6.80 0.12 5.45 2.15 -0.14 -0.06 116.67 130.24 1udr s ASP 57 Ca 0.01 1.54 -0.14 0.00 0.43 0.00 0.00 52.55 54.38 1udr s ASP 57 Cb -0.06 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 1udr s ASP 57 CO 0.00 -0.39 1.55 -0.25 -0.17 0.00 0.00 175.17 175.91 1udr h TRP 58 N 1.67 0.82 -3.50 -5.34 2.91 -1.53 -3.01 115.95 107.96 1udr h TRP 58 Ca -0.48 -0.16 -0.72 0.00 1.13 0.00 0.00 58.89 58.66 1udr h TRP 58 Cb 1.18 -0.21 -0.21 0.00 -0.51 0.00 0.00 29.16 29.41 1udr h TRP 58 CO 0.62 0.85 -0.44 -0.80 -1.03 0.00 0.00 178.44 177.65 1udr s ASN 59 N -6.30 6.07 -0.10 2.65 0.01 -1.26 -1.53 114.94 114.48 1udr s ASN 59 Ca -0.13 -0.93 -0.17 0.00 -0.71 0.00 0.00 52.86 50.92 1udr s ASN 59 Cb 0.10 -2.14 0.04 0.00 0.41 0.00 0.00 41.25 39.65 1udr s ASN 59 CO 0.81 -0.45 0.42 -0.04 -1.51 0.00 0.00 177.10 176.32 1udr s MET 60 N 1.66 0.63 0.80 -0.60 -1.94 -1.26 -4.68 119.30 113.91 1udr s MET 60 Ca 0.05 0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 54.19 1udr s MET 60 Cb -0.19 0.30 0.07 0.00 2.01 0.00 0.00 34.83 37.02 1udr s MET 60 CO 0.09 -0.14 1.09 -1.25 -0.01 0.00 0.00 175.02 174.81 1udr s PRO 61 N -0.51 2.03 0.00 2.03 0.04 -1.26 -3.35 135.00 133.98 1udr s PRO 61 Ca -0.06 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1udr s PRO 61 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1udr s PRO 61 CO 0.03 -1.78 0.00 0.09 0.04 0.00 0.00 177.00 175.38 1udr n ASN 62 N -3.60 0.00 -3.49 6.66 3.02 -1.26 -4.39 115.26 112.20 1udr n ASN 62 Ca 0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.56 1udr n ASN 62 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.36 0.71 3.52 1.75 -1.26 -4.94 119.30 119.44 1udr s MET 63 Ca 0.00 0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 55.18 1udr s MET 63 Cb 0.00 0.03 0.16 0.00 2.84 0.00 0.00 34.83 37.86 1udr s MET 63 CO 0.00 -0.44 0.96 -0.40 -0.65 0.00 0.00 175.02 174.49 1udr n ASP 64 N 5.39 0.31 -0.11 1.11 5.68 -1.21 -1.44 116.55 126.28 1udr n ASP 64 Ca -0.06 -1.49 -0.05 0.00 -0.50 0.00 0.00 54.79 52.68 1udr n ASP 64 Cb 0.50 -0.71 0.02 0.00 -1.14 0.00 0.00 41.12 39.79 1udr n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1udr h GLY 65 N -1.13 0.44 1.04 6.12 0.00 -1.13 -0.75 103.07 107.66 1udr h GLY 65 Ca -0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1udr h GLY 65 CO 0.24 -0.03 0.15 -2.00 0.00 0.00 0.00 176.54 174.90 1udr h LEU 66 N 0.20 0.99 -0.59 3.11 5.85 -1.86 -0.75 115.31 122.26 1udr h LEU 66 Ca 0.18 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 1udr h LEU 66 Cb 0.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1udr h LEU 66 CO -0.24 0.97 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.40 1udr h GLU 67 N 0.96 1.00 -0.35 1.25 5.08 -1.89 -1.01 114.58 119.62 1udr h GLU 67 Ca 0.20 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1udr h GLU 67 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1udr h GLU 67 CO 0.00 1.05 0.09 1.25 -1.00 0.00 0.00 179.01 180.40 1udr h LEU 68 N 0.89 0.53 -0.43 1.33 5.85 -0.94 -1.54 115.31 121.00 1udr h LEU 68 Ca 0.14 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1udr h LEU 68 Cb 0.67 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1udr h LEU 68 CO 0.05 0.62 0.27 0.25 -0.34 0.00 0.00 178.44 179.29 1udr h LEU 69 N 0.42 0.44 -1.03 2.25 5.85 -0.95 -1.13 115.31 121.15 1udr h LEU 69 Ca 0.11 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1udr h LEU 69 Cb 0.30 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1udr h LEU 69 CO 0.00 0.32 0.14 0.11 -0.34 0.00 0.00 178.44 178.67 1udr h LYS 70 N 0.54 0.83 -0.37 1.25 1.57 -1.06 -1.79 116.57 117.55 1udr h LYS 70 Ca 0.17 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1udr h LYS 70 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1udr h LYS 70 CO -0.06 0.74 -0.34 1.15 -0.57 0.00 0.00 179.45 180.37 1udr h THR 71 N 0.80 1.28 -0.32 -0.16 2.02 -0.86 -2.86 112.91 112.81 1udr h THR 71 Ca 0.18 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1udr h THR 71 Cb 0.28 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1udr h THR 71 CO -0.00 0.50 0.09 0.40 0.37 0.00 0.00 175.52 176.88 1udr h ILE 72 N 0.69 1.21 0.00 3.11 2.04 -0.96 -2.93 117.51 120.67 1udr h ILE 72 Ca 0.07 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1udr h ILE 72 Cb 0.89 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1udr h ILE 72 CO 0.08 0.23 0.00 0.03 0.00 0.00 0.00 178.15 178.49 1udr h ARG 73 N 0.36 0.00 -0.07 2.37 2.47 -1.31 -1.65 114.38 116.56 1udr h ARG 73 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1udr h ARG 73 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1udr h ARG 73 CO -0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 1udr n ALA 74 N -2.03 2.55 -2.77 0.04 0.00 -1.09 -4.70 120.51 112.52 1udr n ALA 74 Ca -0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1udr n ALA 74 Cb 0.18 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.86 5.95 0.17 0.00 -1.08 -0.62 -5.03 116.67 114.21 1udr s ASP 75 Ca 0.36 0.16 -0.20 0.00 -0.52 0.00 0.00 52.55 52.35 1udr s ASP 75 Cb 0.20 -2.04 0.08 0.00 -1.46 0.00 0.00 42.92 39.70 1udr s ASP 75 CO 0.31 0.17 1.63 1.23 0.52 0.00 0.00 175.17 179.03 1udr h GLY 76 N 6.72 -0.01 0.95 2.66 0.00 -1.88 -1.43 103.07 110.08 1udr h GLY 76 Ca -0.39 0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1udr h GLY 76 CO 0.73 -0.20 0.04 0.00 0.00 0.00 0.00 176.54 177.11 1udr h ALA 77 N 1.02 0.56 -0.30 3.60 0.00 -1.95 -3.18 119.26 119.01 1udr h ALA 77 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1udr h ALA 77 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1udr h ALA 77 CO -0.47 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 1udr n MET 78 N -4.47 2.17 -0.30 0.00 2.81 -1.07 -4.40 117.12 111.86 1udr n MET 78 Ca -0.00 -1.27 0.11 0.00 -1.81 0.00 0.00 57.70 54.72 1udr n MET 78 Cb 0.26 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.54 1udr n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1udr h SER 79 N 1.85 0.42 -0.48 7.83 0.02 -1.24 -1.83 113.55 120.12 1udr h SER 79 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1udr h SER 79 Cb 0.74 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1udr h SER 79 CO 0.09 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 1udr n ALA 80 N -2.46 2.44 -1.69 3.77 0.00 -1.26 -4.80 120.51 116.50 1udr n ALA 80 Ca 0.20 -1.37 -0.43 0.00 0.00 0.00 0.00 53.44 51.84 1udr n ALA 80 Cb 0.57 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 0.78 3.93 -4.74 0.00 7.94 -0.69 -4.90 117.00 119.32 1udr n LEU 81 Ca 0.18 0.99 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 1udr n LEU 81 Cb 0.59 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 1udr n LEU 81 CO 0.13 0.12 1.20 -2.84 -1.11 0.00 0.00 177.39 174.89 1udr s PRO 82 N 2.84 4.20 -0.13 1.96 0.02 -1.26 -4.92 135.00 137.71 1udr s PRO 82 Ca 0.83 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 64.25 1udr s PRO 82 Cb -0.51 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 30.96 1udr s PRO 82 CO 0.39 -0.55 0.00 0.08 -0.33 0.00 0.00 177.00 176.59 1udr s VAL 83 N 0.35 0.56 -0.26 3.83 1.01 -1.26 -0.96 120.40 123.67 1udr s VAL 83 Ca 0.64 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 1udr s VAL 83 Cb -0.45 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1udr s VAL 83 CO 0.41 0.07 0.16 -0.22 0.00 0.00 0.00 175.10 175.52 1udr s LEU 84 N 1.87 3.96 -0.14 3.92 2.96 0.69 -0.83 118.68 131.12 1udr s LEU 84 Ca 0.02 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.79 1udr s LEU 84 Cb -0.14 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1udr s LEU 84 CO -0.07 0.01 0.35 -0.32 -1.32 0.00 0.00 176.35 175.00 1udr s MET 85 N 1.41 4.23 -0.19 1.98 -2.45 -0.43 -1.35 119.30 122.51 1udr s MET 85 Ca 0.07 0.21 -0.10 0.00 -1.25 0.00 0.00 55.69 54.62 1udr s MET 85 Cb -0.15 -3.41 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 1udr s MET 85 CO 0.07 0.26 0.15 0.08 1.05 0.00 0.00 175.02 176.63 1udr s VAL 86 N 0.36 5.41 0.05 10.11 1.01 0.91 -0.69 120.40 137.56 1udr s VAL 86 Ca 0.20 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1udr s VAL 86 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1udr s VAL 86 CO 0.06 0.45 -0.05 0.28 0.00 0.00 0.00 175.10 175.84 1udr s THR 87 N 0.25 0.39 0.14 3.92 -1.32 -0.37 -1.24 115.64 117.42 1udr s THR 87 Ca 0.09 -1.40 0.15 0.00 -1.21 0.00 0.00 61.69 59.32 1udr s THR 87 Cb -0.11 -0.97 0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1udr s THR 87 CO -0.01 -0.66 1.60 0.00 -2.21 0.00 0.00 174.62 173.34 1udr h ALA 88 N 3.88 0.86 -2.72 11.08 0.00 -1.87 -0.56 119.26 129.93 1udr h ALA 88 Ca -0.34 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 1udr h ALA 88 Cb 1.18 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1udr h ALA 88 CO 0.52 0.66 -0.23 -1.83 0.00 0.00 0.00 179.25 178.37 1udr s GLU 89 N -3.40 0.49 -1.30 0.00 -1.05 -1.26 -4.62 118.70 107.55 1udr s GLU 89 Ca 0.00 0.58 -0.15 0.00 -0.15 0.00 0.00 54.97 55.26 1udr s GLU 89 Cb 0.11 0.24 0.11 0.00 -0.44 0.00 0.00 34.13 34.14 1udr s GLU 89 CO 0.73 -0.06 1.78 0.00 0.95 0.00 0.00 175.26 178.66 1udr n ALA 90 N 2.85 4.35 -2.71 -0.84 0.00 -1.26 -4.96 120.51 117.94 1udr n ALA 90 Ca -0.13 -4.05 -0.40 0.00 0.00 0.00 0.00 53.44 48.86 1udr n ALA 90 Cb 0.57 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 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 3.05 7.00 0.44 0.00 2.15 -1.26 -4.96 116.67 123.09 1udr s ASP 91 Ca 0.47 1.21 0.25 0.00 0.43 0.00 0.00 52.55 54.91 1udr s ASP 91 Cb 0.05 -2.42 1.28 0.00 -0.30 0.00 0.00 42.92 41.53 1udr s ASP 91 CO 0.01 -0.16 1.75 0.00 -0.17 0.00 0.00 175.17 176.60 1udr h ALA 92 N 6.85 2.57 -0.18 3.66 0.00 -1.99 -0.47 119.26 129.71 1udr h ALA 92 Ca -0.39 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1udr h ALA 92 Cb 1.19 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1udr h ALA 92 CO 0.76 -0.99 -0.11 1.49 0.00 0.00 0.00 179.25 180.40 1udr h GLU 93 N 0.24 0.39 0.17 0.00 4.57 -1.99 -2.17 114.58 115.78 1udr h GLU 93 Ca 0.63 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.62 1udr h GLU 93 Cb 1.90 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 1udr h GLU 93 CO -0.24 0.72 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.32 1udr h ASN 94 N 0.06 -0.20 -0.52 1.04 -0.26 -1.52 -1.72 115.58 112.45 1udr h ASN 94 Ca 0.04 -0.07 0.09 0.00 -0.56 0.00 0.00 56.30 55.79 1udr h ASN 94 Cb 0.61 0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 37.86 1udr h ASN 94 CO 0.03 -0.06 0.13 0.40 -1.06 0.00 0.00 177.43 176.87 1udr h ILE 95 N -0.33 0.73 -0.65 2.81 2.04 -1.29 0.18 117.51 121.00 1udr h ILE 95 Ca -0.02 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1udr h ILE 95 Cb 0.25 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1udr h ILE 95 CO 0.04 0.05 0.16 0.07 0.00 0.00 0.00 178.15 178.47 1udr h LYS 96 N 0.27 1.03 -0.40 2.37 5.09 -1.31 -1.07 116.57 122.55 1udr h LYS 96 Ca 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 60.65 60.76 1udr h LYS 96 Cb 0.35 -0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.52 1udr h LYS 96 CO -0.33 0.91 0.23 0.00 -2.09 0.00 0.00 179.45 178.17 1udr h ALA 97 N 1.18 0.51 -0.24 0.07 0.00 -0.26 -0.96 119.26 119.56 1udr h ALA 97 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1udr h ALA 97 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1udr h ALA 97 CO 0.00 0.02 0.12 -0.07 0.00 0.00 0.00 179.25 179.32 1udr h LEU 98 N 0.51 0.19 -0.63 0.00 3.38 -0.26 -0.78 115.31 117.73 1udr h LEU 98 Ca 0.14 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1udr h LEU 98 Cb 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1udr h LEU 98 CO -0.02 0.14 0.38 0.00 0.09 0.00 0.00 178.44 179.03 1udr h ALA 99 N 1.12 0.80 -0.25 1.53 0.00 -0.98 -1.42 119.26 120.06 1udr h ALA 99 Ca 0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1udr h ALA 99 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1udr h ALA 99 CO -0.07 0.27 -0.15 1.96 0.00 0.00 0.00 179.25 181.26 1udr h GLN 100 N 0.85 0.43 -0.00 0.00 4.20 -0.89 -2.47 115.11 117.23 1udr h GLN 100 Ca 0.22 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1udr h GLN 100 Cb -0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1udr h GLN 100 CO -0.04 0.58 -0.02 0.00 -0.67 0.00 0.00 178.83 178.67 1udr n ALA 101 N -2.48 2.39 -0.78 3.87 0.00 -0.32 -4.94 120.51 118.25 1udr n ALA 101 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1udr n ALA 101 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.13 3.77 0.00 0.00 -0.81 -4.75 105.19 106.03 1udr n GLY 102 Ca 0.07 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 3.37 0.10 4.61 0.00 -0.60 -4.88 121.76 122.36 1udr s ALA 103 Ca 0.00 1.16 0.26 0.00 0.00 0.00 0.00 51.96 53.38 1udr s ALA 103 Cb 0.00 -3.45 0.99 0.00 0.00 0.00 0.00 23.12 20.66 1udr s ALA 103 CO 0.00 -0.61 1.85 0.77 0.00 0.00 0.00 175.76 177.77 1udr h SER 104 N 3.13 0.00 0.00 0.00 0.02 -1.33 -3.45 113.55 111.92 1udr h SER 104 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1udr h SER 104 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1udr h SER 104 CO 0.64 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1udr n GLY 105 N 0.17 -1.55 3.27 -3.77 0.00 -1.19 -4.83 105.19 97.29 1udr n GLY 105 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.55 0.20 -0.12 1.61 1.13 -1.26 -1.32 117.35 115.04 1udr s TYR 106 Ca 0.00 -0.59 -0.10 0.00 -1.41 0.00 0.00 57.07 54.97 1udr s TYR 106 Cb 0.00 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.88 1udr s TYR 106 CO 0.00 -0.64 0.30 0.54 -2.51 0.00 0.00 175.55 173.25 1udr s VAL 107 N -3.90 -0.01 -0.08 -3.49 0.11 0.14 -4.88 120.40 108.29 1udr s VAL 107 Ca 0.09 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.00 1udr s VAL 107 Cb 0.04 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1udr s VAL 107 CO -0.07 0.01 0.43 -0.69 -3.33 0.00 0.00 175.10 171.45 1udr s VAL 108 N 0.38 5.14 0.13 2.04 1.01 -1.26 -1.23 120.40 126.61 1udr s VAL 108 Ca -0.02 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1udr s VAL 108 Cb -0.04 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1udr s VAL 108 CO -0.02 0.42 0.34 -1.59 0.00 0.00 0.00 175.10 174.26 1udr s LYS 109 N -0.00 3.57 0.37 2.72 -2.85 -0.22 -3.90 119.74 119.43 1udr s LYS 109 Ca 0.24 -0.18 -0.25 0.00 -1.00 0.00 0.00 55.97 54.78 1udr s LYS 109 Cb -0.15 -2.89 -0.09 0.00 -2.06 0.00 0.00 37.83 32.64 1udr s LYS 109 CO 0.11 0.49 1.02 -1.25 0.10 0.00 0.00 175.35 175.81 1udr s PRO 110 N -2.69 4.33 0.26 1.78 0.04 -1.26 -4.72 135.00 132.74 1udr s PRO 110 Ca 0.40 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1udr s PRO 110 Cb -0.12 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 1udr s PRO 110 CO 0.26 0.02 -0.05 -0.59 0.04 0.00 0.00 177.00 176.68 1udr s PHE 111 N -1.63 1.80 0.43 0.56 -0.12 -1.25 -5.16 117.98 112.60 1udr s PHE 111 Ca 0.55 -0.77 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 1udr s PHE 111 Cb -0.21 -1.02 -0.01 0.00 -0.63 0.00 0.00 43.02 41.15 1udr s PHE 111 CO 0.27 0.18 0.43 0.95 -0.05 0.00 0.00 175.22 177.00 1udr s THR 112 N -3.15 2.69 0.38 -4.49 -4.23 -1.26 -4.98 115.64 100.61 1udr s THR 112 Ca 0.28 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1udr s THR 112 Cb 0.04 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 71.11 1udr s THR 112 CO 0.10 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.12 1udr h ALA 113 N 0.91 1.52 0.06 3.99 0.00 -1.99 -1.09 119.26 122.66 1udr h ALA 113 Ca -0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1udr h ALA 113 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1udr h ALA 113 CO 0.54 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 180.11 1udr h ALA 114 N 1.63 -0.08 -0.62 0.00 0.00 -1.97 -0.70 119.26 117.52 1udr h ALA 114 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1udr h ALA 114 Cb 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1udr h ALA 114 CO 0.01 -0.45 0.41 1.15 0.00 0.00 0.00 179.25 180.36 1udr h THR 115 N -0.27 1.14 -0.51 0.00 2.02 -1.86 -1.88 112.91 111.55 1udr h THR 115 Ca -0.01 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1udr h THR 115 Cb 0.23 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1udr h THR 115 CO 0.01 0.15 0.21 0.25 0.37 0.00 0.00 175.52 176.52 1udr h LEU 116 N 0.83 0.66 -0.68 2.58 5.85 -1.06 -2.06 115.31 121.44 1udr h LEU 116 Ca 0.23 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1udr h LEU 116 Cb -0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1udr h LEU 116 CO -0.06 0.60 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.36 1udr h GLU 117 N 0.73 0.82 -0.24 1.25 4.81 -0.42 -0.62 114.58 120.90 1udr h GLU 117 Ca 0.18 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1udr h GLU 117 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1udr h GLU 117 CO -0.02 0.95 0.06 1.49 -0.73 0.00 0.00 179.01 180.76 1udr h GLU 118 N 0.72 0.39 -0.53 1.92 4.81 -0.96 -0.36 114.58 120.57 1udr h GLU 118 Ca 0.10 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1udr h GLU 118 Cb 0.71 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1udr h GLU 118 CO 0.05 0.50 0.19 0.87 -0.73 0.00 0.00 179.01 179.89 1udr h LYS 119 N 0.22 0.80 -0.50 1.92 1.79 -1.28 -1.90 116.57 117.61 1udr h LYS 119 Ca 0.08 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1udr h LYS 119 Cb 0.28 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1udr h LYS 119 CO 0.00 0.72 0.23 -0.07 -1.08 0.00 0.00 179.45 179.25 1udr h LEU 120 N 0.72 0.67 -0.67 2.94 3.38 -0.95 -2.45 115.31 118.95 1udr h LEU 120 Ca 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1udr h LEU 120 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1udr h LEU 120 CO -0.01 0.63 0.31 0.78 0.09 0.00 0.00 178.44 180.24 1udr h ASN 121 N 0.67 0.88 -0.89 -0.43 2.35 -0.87 0.45 115.58 117.74 1udr h ASN 121 Ca 0.17 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1udr h ASN 121 Cb 0.15 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1udr h ASN 121 CO -0.02 0.78 0.54 0.11 -1.65 0.00 0.00 177.43 177.19 1udr h LYS 122 N 0.93 1.22 -0.11 0.81 1.57 -1.18 0.87 116.57 120.67 1udr h LYS 122 Ca 0.23 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 1udr h LYS 122 Cb 0.14 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1udr h LYS 122 CO -0.03 0.85 -0.70 0.82 -0.57 0.00 0.00 179.45 179.83 1udr h ILE 123 N 1.24 1.35 -0.47 1.86 2.04 -1.06 -1.82 117.51 120.63 1udr h ILE 123 Ca 0.32 -2.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.06 1udr h ILE 123 Cb -0.05 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1udr h ILE 123 CO -0.06 0.62 -0.06 -0.26 0.00 0.00 0.00 178.15 178.40 1udr h PHE 124 N 0.35 0.97 -0.56 1.37 0.04 -0.30 -2.12 116.94 116.70 1udr h PHE 124 Ca -0.03 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.47 1udr h PHE 124 Cb 1.27 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1udr h PHE 124 CO 0.05 0.93 0.02 1.49 -0.60 0.00 0.00 178.31 180.21 1udr h GLU 125 N 0.72 0.94 -0.29 1.51 4.81 -0.81 -1.07 114.58 120.39 1udr h GLU 125 Ca 0.13 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1udr h GLU 125 Cb 0.59 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1udr h GLU 125 CO 0.04 0.91 0.04 -0.22 -0.73 0.00 0.00 179.01 179.04 1udr h LYS 126 N 0.87 0.42 0.00 1.92 3.64 -1.11 -2.81 116.57 119.50 1udr h LYS 126 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1udr h LYS 126 Cb 0.48 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1udr h LYS 126 CO 0.02 0.42 -0.82 1.28 -2.27 0.00 0.00 179.45 178.08 1udr n LEU 127 N -4.35 0.64 -0.41 5.20 4.32 -0.82 -4.98 117.00 116.60 1udr n LEU 127 Ca 0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1udr n LEU 127 Cb 0.19 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1udr n LEU 127 CO 0.37 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1udr n GLY 128 N 1.42 0.89 0.23 -0.72 0.00 -0.65 -5.10 105.19 101.25 1udr n GLY 128 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1udr n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35