#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 0.25 -1.65 1.97 4.07 -1.26 -3.93 120.64 120.10 1udr n GLU 5 Ca 0.00 -0.15 -0.45 0.00 -0.06 0.00 0.00 57.16 56.49 1udr n GLU 5 Cb 0.00 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.86 1udr n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1udr n LEU 6 N -1.24 2.69 -4.62 4.31 7.94 -1.26 -4.79 117.00 120.03 1udr n LEU 6 Ca 0.07 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.71 1udr n LEU 6 Cb 0.34 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 42.87 1udr n LEU 6 CO 0.33 -0.75 0.63 -0.75 -1.11 0.00 0.00 177.39 175.74 1udr s LYS 7 N -0.67 4.02 0.04 1.96 2.20 -1.26 -4.45 119.74 121.58 1udr s LYS 7 Ca 0.67 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.97 1udr s LYS 7 Cb -0.69 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 1udr s LYS 7 CO 0.52 -0.67 0.20 -0.06 -0.36 0.00 0.00 175.35 174.99 1udr s PHE 8 N 2.99 3.52 -0.14 4.03 0.40 -0.06 -0.61 117.98 128.11 1udr s PHE 8 Ca 0.34 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.95 1udr s PHE 8 Cb -0.14 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.63 1udr s PHE 8 CO 0.12 0.60 -0.14 -1.17 0.70 0.00 0.00 175.22 175.33 1udr s LEU 9 N -2.36 1.69 -0.23 -0.37 2.96 -0.41 -0.38 118.68 119.57 1udr s LEU 9 Ca 0.33 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1udr s LEU 9 Cb -0.13 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1udr s LEU 9 CO 0.26 -0.04 0.06 -0.69 -1.32 0.00 0.00 176.35 174.62 1udr s VAL 10 N 1.37 4.41 -0.16 1.68 1.01 0.13 -0.97 120.40 127.87 1udr s VAL 10 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1udr s VAL 10 Cb -0.13 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1udr s VAL 10 CO -0.08 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.55 1udr s VAL 11 N 1.27 2.71 -0.22 2.92 1.01 0.26 -1.19 120.40 127.17 1udr s VAL 11 Ca 0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1udr s VAL 11 Cb -0.15 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.23 1udr s VAL 11 CO 0.03 0.51 1.10 -0.62 0.00 0.00 0.00 175.10 176.13 1udr s ASP 12 N 0.83 -0.31 0.00 3.32 -1.08 -0.96 -1.77 116.67 116.70 1udr s ASP 12 Ca -0.05 0.44 0.28 0.00 -0.52 0.00 0.00 52.55 52.70 1udr s ASP 12 Cb -0.15 0.39 0.99 0.00 -1.46 0.00 0.00 42.92 42.69 1udr s ASP 12 CO -0.00 -0.22 1.73 -0.90 0.52 0.00 0.00 175.17 176.30 1udr n ASP 13 N 1.17 0.34 -4.38 -0.34 5.75 -1.12 -4.22 116.55 113.75 1udr n ASP 13 Ca -0.09 -0.14 -0.42 0.00 -0.01 0.00 0.00 54.79 54.13 1udr n ASP 13 Cb 0.57 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1udr n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1udr s PHE 14 N -2.81 3.26 0.30 2.11 0.08 -1.26 -4.97 117.98 114.69 1udr s PHE 14 Ca 0.18 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.30 1udr s PHE 14 Cb 0.19 -2.72 0.74 0.00 -0.57 0.00 0.00 43.02 40.65 1udr s PHE 14 CO 0.56 -0.71 1.75 0.66 -0.10 0.00 0.00 175.22 177.39 1udr h SER 15 N 8.54 0.63 -0.29 1.36 4.64 -2.00 -2.19 113.55 124.24 1udr h SER 15 Ca -0.26 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1udr h SER 15 Cb 1.10 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1udr h SER 15 CO 0.74 0.17 0.19 0.74 -0.87 0.00 0.00 176.83 177.81 1udr h THR 16 N 0.63 1.08 -0.29 2.95 2.02 -1.98 -1.16 112.91 116.16 1udr h THR 16 Ca 0.57 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.55 1udr h THR 16 Cb 0.97 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1udr h THR 16 CO -0.43 0.08 -0.03 -0.03 0.37 0.00 0.00 175.52 175.48 1udr h MET 17 N 0.39 0.45 -0.56 6.66 -1.53 -1.83 -0.77 114.93 117.75 1udr h MET 17 Ca 0.11 -0.10 -0.10 0.00 -3.44 0.00 0.00 59.70 56.17 1udr h MET 17 Cb -0.04 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 30.93 1udr h MET 17 CO -0.02 0.51 -0.02 0.00 0.14 0.00 0.00 176.91 177.51 1udr h ARG 18 N 0.44 1.00 -0.09 0.39 3.08 -1.09 -1.40 114.38 116.71 1udr h ARG 18 Ca 0.09 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1udr h ARG 18 Cb 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1udr h ARG 18 CO 0.01 1.01 -0.37 0.00 -1.07 0.00 0.00 179.97 179.56 1udr h ARG 19 N 0.89 0.18 -0.01 0.04 3.08 -0.61 -0.49 114.38 117.47 1udr h ARG 19 Ca 0.16 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1udr h ARG 19 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1udr h ARG 19 CO 0.03 0.53 -0.00 0.82 -1.07 0.00 0.00 179.97 180.28 1udr h ILE 20 N 0.16 1.30 -0.64 2.04 2.04 -0.86 -1.75 117.51 119.80 1udr h ILE 20 Ca 0.02 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1udr h ILE 20 Cb 0.73 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1udr h ILE 20 CO 0.05 0.23 0.34 0.58 0.00 0.00 0.00 178.15 179.36 1udr h VAL 21 N -0.35 1.21 -0.91 1.67 2.07 -1.08 -0.90 116.25 117.96 1udr h VAL 21 Ca 0.00 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1udr h VAL 21 Cb 0.38 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1udr h VAL 21 CO 0.00 0.23 0.59 -0.09 0.02 0.00 0.00 177.57 178.32 1udr h ARG 22 N 0.88 1.12 -0.11 1.57 2.43 -1.06 -1.13 114.38 118.08 1udr h ARG 22 Ca 0.22 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.14 1udr h ARG 22 Cb 0.05 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1udr h ARG 22 CO -0.03 0.74 -0.71 -0.91 -1.51 0.00 0.00 179.97 177.54 1udr h ASN 23 N 1.15 0.59 0.15 -3.80 2.35 -0.84 -1.90 115.58 113.28 1udr h ASN 23 Ca 0.36 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1udr h ASN 23 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1udr h ASN 23 CO -0.12 1.12 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.45 1udr h LEU 24 N 0.35 0.19 -0.29 1.61 3.38 -0.84 0.07 115.31 119.78 1udr h LEU 24 Ca -0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1udr h LEU 24 Cb 1.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1udr h LEU 24 CO 0.13 0.47 -0.07 -0.07 0.09 0.00 0.00 178.44 178.99 1udr h LEU 25 N 0.18 0.56 -0.72 1.67 3.38 -1.04 -2.61 115.31 116.73 1udr h LEU 25 Ca 0.03 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1udr h LEU 25 Cb 0.57 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1udr h LEU 25 CO 0.04 0.79 0.44 0.50 0.09 0.00 0.00 178.44 180.31 1udr h LYS 26 N 0.32 0.84 -0.26 1.13 3.64 -0.81 -0.35 116.57 121.07 1udr h LYS 26 Ca 0.07 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1udr h LYS 26 Cb 0.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1udr h LYS 26 CO 0.03 0.55 0.18 1.49 -2.27 0.00 0.00 179.45 179.43 1udr h GLU 27 N 0.86 0.10 -0.00 1.90 4.57 -0.81 -0.01 114.58 121.18 1udr h GLU 27 Ca 0.29 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1udr h GLU 27 Cb 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1udr h GLU 27 CO -0.12 0.06 -0.33 1.28 -1.18 0.00 0.00 179.01 178.73 1udr n LEU 28 N -4.48 0.58 0.00 1.64 4.77 -0.26 -4.94 117.00 114.30 1udr n LEU 28 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1udr n LEU 28 Cb 0.26 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1udr n LEU 28 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1udr n GLY 29 N 1.43 0.71 3.39 -0.72 0.00 -0.02 -5.07 105.19 104.91 1udr n GLY 29 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 3.14 -1.21 1.61 0.08 -0.50 -4.82 117.98 114.27 1udr s PHE 30 Ca 0.00 -0.88 0.21 0.00 0.12 0.00 0.00 56.93 56.38 1udr s PHE 30 Cb 0.00 -3.57 -0.18 0.00 -0.57 0.00 0.00 43.02 38.71 1udr s PHE 30 CO 0.00 -1.01 0.92 0.09 -0.10 0.00 0.00 175.22 175.12 1udr n ASN 31 N 5.74 1.21 -4.41 1.36 3.02 -1.25 -3.13 115.26 117.79 1udr n ASN 31 Ca -0.10 -1.11 -0.45 0.00 -0.03 0.00 0.00 54.58 52.89 1udr n ASN 31 Cb 0.43 0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 40.46 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 -2.83 6.76 -0.02 6.41 2.47 -1.26 -4.99 114.94 121.47 1udr s ASN 32 Ca 0.10 -2.43 0.02 0.00 0.42 0.00 0.00 52.86 50.98 1udr s ASN 32 Cb 0.16 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.63 1udr s ASN 32 CO 0.78 -0.85 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.55 1udr s VAL 33 N 1.63 0.69 0.32 -5.21 1.01 -1.26 -0.88 120.40 116.70 1udr s VAL 33 Ca 0.30 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.04 1udr s VAL 33 Cb -0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1udr s VAL 33 CO -0.08 0.22 -0.09 -1.61 0.00 0.00 0.00 175.10 173.53 1udr s GLU 34 N 0.13 1.73 0.10 2.72 0.41 0.49 -4.96 118.70 119.33 1udr s GLU 34 Ca -0.02 -1.88 0.07 0.00 -0.41 0.00 0.00 54.97 52.73 1udr s GLU 34 Cb -0.07 -1.56 -0.03 0.00 -1.78 0.00 0.00 34.13 30.69 1udr s GLU 34 CO 0.00 0.13 -0.17 -1.21 -0.49 0.00 0.00 175.26 173.52 1udr s GLU 35 N -3.63 1.00 -0.00 1.61 2.02 -1.26 -0.69 118.70 117.74 1udr s GLU 35 Ca 0.31 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 1udr s GLU 35 Cb 0.02 -1.08 -0.00 0.00 0.10 0.00 0.00 34.13 33.17 1udr s GLU 35 CO 0.15 0.24 0.05 0.00 0.02 0.00 0.00 175.26 175.72 1udr s ALA 36 N -1.47 -0.11 0.04 5.21 0.00 -0.33 -4.90 121.76 120.20 1udr s ALA 36 Ca 0.05 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1udr s ALA 36 Cb -0.09 0.05 -0.15 0.00 0.00 0.00 0.00 23.12 22.93 1udr s ALA 36 CO 0.03 -0.14 1.24 0.93 0.00 0.00 0.00 175.76 177.83 1udr h GLU 37 N 4.97 0.00 0.00 0.00 5.08 -1.87 -2.55 114.58 120.20 1udr h GLU 37 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1udr h GLU 37 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1udr h GLU 37 CO 0.42 0.83 0.25 -0.40 -1.00 0.00 0.00 179.01 179.12 1udr n ASP 38 N -3.28 -1.68 -0.11 1.42 5.68 -1.26 -2.80 116.55 114.52 1udr n ASP 38 Ca -0.01 -2.12 0.09 0.00 -0.50 0.00 0.00 54.79 52.24 1udr n ASP 38 Cb 0.91 2.78 0.44 0.00 -1.14 0.00 0.00 41.12 44.11 1udr n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1udr h GLY 39 N 1.50 0.72 0.60 6.12 0.00 -1.46 -1.44 103.07 109.11 1udr h GLY 39 Ca -0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1udr h GLY 39 CO 0.32 0.16 -0.14 -2.08 0.00 0.00 0.00 176.54 174.79 1udr h VAL 40 N 0.55 0.70 -0.93 4.60 2.07 -1.86 -1.62 116.25 119.76 1udr h VAL 40 Ca 0.28 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1udr h VAL 40 Cb 0.37 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1udr h VAL 40 CO -0.08 0.13 0.60 -0.78 0.02 0.00 0.00 177.57 177.46 1udr h ASP 41 N -0.79 0.92 -0.21 0.57 3.58 -1.93 -1.66 116.42 116.90 1udr h ASP 41 Ca -0.04 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1udr h ASP 41 Cb 0.51 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1udr h ASP 41 CO 0.06 0.57 -0.01 0.00 -2.88 0.00 0.00 179.24 176.98 1udr h ALA 42 N 1.51 0.28 -0.52 -0.78 0.00 -1.22 -2.02 119.26 116.50 1udr h ALA 42 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1udr h ALA 42 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1udr h ALA 42 CO -0.17 0.02 0.24 -0.07 0.00 0.00 0.00 179.25 179.27 1udr h LEU 43 N 0.12 0.66 -0.93 0.00 3.38 -0.85 0.89 115.31 118.58 1udr h LEU 43 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1udr h LEU 43 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1udr h LEU 43 CO 0.01 0.57 0.23 0.78 0.09 0.00 0.00 178.44 180.12 1udr h ASN 44 N 0.73 0.93 -0.07 -0.43 2.35 -1.08 -1.58 115.58 116.44 1udr h ASN 44 Ca 0.18 -0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 1udr h ASN 44 Cb 0.09 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.23 1udr h ASN 44 CO -0.02 0.86 -0.77 0.11 -1.65 0.00 0.00 177.43 175.96 1udr h LYS 45 N 0.98 0.65 -0.13 0.81 1.57 -0.56 -3.25 116.57 116.64 1udr h LYS 45 Ca 0.22 -0.60 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1udr h LYS 45 Cb 0.25 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1udr h LYS 45 CO -0.01 1.21 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.88 1udr h LEU 46 N 0.30 0.19 -1.68 2.94 3.38 -0.70 -1.77 115.31 117.96 1udr h LEU 46 Ca -0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1udr h LEU 46 Cb 1.42 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1udr h LEU 46 CO 0.15 0.35 -0.03 1.56 0.09 0.00 0.00 178.44 180.56 1udr h GLN 47 N 0.20 0.00 0.00 1.13 4.20 -1.32 -0.82 115.11 118.50 1udr h GLN 47 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1udr h GLN 47 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1udr h GLN 47 CO 0.02 0.03 -0.13 0.00 -0.67 0.00 0.00 178.83 178.08 1udr h ALA 48 N 1.97 1.00 0.00 3.87 0.00 -1.37 -3.49 119.26 121.24 1udr h ALA 48 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1udr h ALA 48 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1udr h ALA 48 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1udr n GLY 49 N 0.25 -1.03 0.11 0.00 0.00 -0.31 -5.02 105.19 99.18 1udr n GLY 49 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.24 1.39 3.77 -0.02 0.00 -1.26 -4.94 105.19 102.88 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 -2.38 3.88 -0.13 1.61 2.02 -1.26 -4.56 117.35 116.53 1udr s TYR 51 Ca 0.00 1.79 0.02 0.00 -0.37 0.00 0.00 57.07 58.51 1udr s TYR 51 Cb 0.00 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1udr s TYR 51 CO 0.00 0.40 0.28 0.41 -1.57 0.00 0.00 175.55 175.07 1udr n GLY 52 N 1.23 -0.09 3.63 0.71 0.00 0.22 -4.95 105.19 105.95 1udr n GLY 52 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.70 -0.78 -0.06 1.61 2.19 -0.94 -4.25 117.98 115.05 1udr s PHE 53 Ca 0.01 1.84 0.04 0.00 0.33 0.00 0.00 56.93 59.15 1udr s PHE 53 Cb 0.01 0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 42.05 1udr s PHE 53 CO 0.04 -0.38 -0.19 0.08 1.83 0.00 0.00 175.22 176.60 1udr s VAL 54 N 0.53 1.64 -0.18 3.12 1.01 -0.54 -1.29 120.40 124.69 1udr s VAL 54 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1udr s VAL 54 Cb -0.05 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1udr s VAL 54 CO -0.03 0.46 -0.17 -0.63 0.00 0.00 0.00 175.10 174.73 1udr s ILE 55 N 0.11 2.35 -0.00 2.22 1.01 -0.15 -1.04 121.20 125.70 1udr s ILE 55 Ca -0.07 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1udr s ILE 55 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1udr s ILE 55 CO 0.04 0.52 -0.07 -0.55 0.00 0.00 0.00 174.94 174.88 1udr s SER 56 N 1.17 0.80 0.45 3.58 0.15 -0.28 -0.57 113.70 119.00 1udr s SER 56 Ca 0.02 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.31 1udr s SER 56 Cb -0.14 -0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 63.99 1udr s SER 56 CO -0.08 0.06 0.97 -0.62 1.20 0.00 0.00 173.24 174.78 1udr s ASP 57 N -0.26 6.79 0.16 5.45 2.15 -0.73 0.10 116.67 130.33 1udr s ASP 57 Ca 0.02 1.74 -0.12 0.00 0.43 0.00 0.00 52.55 54.62 1udr s ASP 57 Cb -0.03 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1udr s ASP 57 CO -0.00 -0.47 1.69 -0.25 -0.17 0.00 0.00 175.17 175.97 1udr h TRP 58 N 1.79 0.90 -3.45 -5.34 2.91 -1.25 -3.07 115.95 108.45 1udr h TRP 58 Ca -0.49 -0.09 -0.67 0.00 1.13 0.00 0.00 58.89 58.77 1udr h TRP 58 Cb 1.19 -0.26 -0.30 0.00 -0.51 0.00 0.00 29.16 29.28 1udr h TRP 58 CO 0.61 0.77 -0.74 1.21 -1.03 0.00 0.00 178.44 179.26 1udr s ASN 59 N -6.16 4.29 0.12 2.65 2.47 -1.26 -1.64 114.94 115.41 1udr s ASN 59 Ca -0.13 -0.69 -0.12 0.00 0.42 0.00 0.00 52.86 52.34 1udr s ASN 59 Cb 0.12 -1.69 0.02 0.00 -1.45 0.00 0.00 41.25 38.25 1udr s ASN 59 CO 0.80 -0.09 0.31 -0.04 -3.72 0.00 0.00 177.10 174.36 1udr s MET 60 N 1.39 1.01 0.65 0.43 -1.94 -1.26 -4.77 119.30 114.81 1udr s MET 60 Ca 0.03 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.01 1udr s MET 60 Cb -0.16 0.41 -0.01 0.00 2.01 0.00 0.00 34.83 37.08 1udr s MET 60 CO -0.04 -0.37 1.05 -2.14 -0.01 0.00 0.00 175.02 173.51 1udr s PRO 61 N -3.85 3.16 0.00 2.03 0.02 -1.26 -3.74 135.00 131.36 1udr s PRO 61 Ca 0.06 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1udr s PRO 61 Cb 0.03 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1udr s PRO 61 CO -0.10 -0.92 0.00 0.09 -0.33 0.00 0.00 177.00 175.74 1udr n ASN 62 N -2.76 0.00 -3.60 2.53 3.02 -1.26 -4.32 115.26 108.88 1udr n ASN 62 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1udr n ASN 62 Cb 0.53 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.27 0.35 3.52 1.75 -1.26 -4.96 119.30 118.97 1udr s MET 63 Ca 0.00 0.82 -0.05 0.00 -1.25 0.00 0.00 55.69 55.21 1udr s MET 63 Cb 0.00 0.00 0.08 0.00 2.84 0.00 0.00 34.83 37.75 1udr s MET 63 CO 0.00 -0.35 0.48 -0.40 -0.65 0.00 0.00 175.02 174.10 1udr n ASP 64 N 5.37 0.18 -0.14 1.11 5.68 -1.25 -1.51 116.55 125.99 1udr n ASP 64 Ca -0.07 -1.26 -0.08 0.00 -0.50 0.00 0.00 54.79 52.88 1udr n ASP 64 Cb 0.50 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.55 0.64 1.17 6.12 0.00 -1.20 -0.65 103.07 108.61 1udr h GLY 65 Ca -0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1udr h GLY 65 CO 0.12 0.29 -0.02 -2.00 0.00 0.00 0.00 176.54 174.94 1udr h LEU 66 N 0.55 0.97 -0.59 3.11 5.85 -1.85 -0.27 115.31 123.09 1udr h LEU 66 Ca 0.15 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1udr h LEU 66 Cb 0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1udr h LEU 66 CO -0.02 1.03 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.50 1udr h GLU 67 N 0.90 0.82 -0.28 1.25 5.08 -1.90 -1.20 114.58 119.25 1udr h GLU 67 Ca 0.16 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1udr h GLU 67 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1udr h GLU 67 CO 0.03 1.00 0.07 1.25 -1.00 0.00 0.00 179.01 180.36 1udr h LEU 68 N 0.70 0.43 -0.16 1.33 5.85 -0.89 -2.12 115.31 120.44 1udr h LEU 68 Ca 0.08 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1udr h LEU 68 Cb 0.83 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1udr h LEU 68 CO 0.07 0.55 0.08 0.25 -0.34 0.00 0.00 178.44 179.05 1udr h LEU 69 N 0.29 0.12 -1.27 2.25 5.85 -0.88 -1.24 115.31 120.44 1udr h LEU 69 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1udr h LEU 69 Cb 0.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1udr h LEU 69 CO 0.00 0.09 0.40 0.11 -0.34 0.00 0.00 178.44 178.71 1udr h LYS 70 N 0.17 0.90 -0.40 1.25 1.57 -1.17 -1.39 116.57 117.51 1udr h LYS 70 Ca 0.07 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1udr h LYS 70 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1udr h LYS 70 CO -0.05 0.63 -0.37 1.15 -0.57 0.00 0.00 179.45 180.25 1udr h THR 71 N 0.92 1.27 -0.28 -0.16 2.02 -0.96 -2.71 112.91 113.01 1udr h THR 71 Ca 0.24 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1udr h THR 71 Cb -0.04 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1udr h THR 71 CO -0.05 0.52 0.08 0.40 0.37 0.00 0.00 175.52 176.84 1udr h ILE 72 N 0.78 1.21 0.00 3.11 2.04 -0.88 -2.72 117.51 121.04 1udr h ILE 72 Ca 0.07 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1udr h ILE 72 Cb 0.96 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1udr h ILE 72 CO 0.09 0.22 -0.02 0.03 0.00 0.00 0.00 178.15 178.48 1udr h ARG 73 N 0.29 0.00 -0.01 2.37 2.47 -1.20 -1.60 114.38 116.70 1udr h ARG 73 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 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 0.02 -0.35 0.00 0.56 0.00 0.00 179.97 180.19 1udr n ALA 74 N -2.29 3.29 -2.58 0.04 0.00 -1.03 -4.69 120.51 113.25 1udr n ALA 74 Ca -0.03 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.49 1udr n ALA 74 Cb 0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.48 6.30 0.66 0.00 -1.08 -0.60 -4.96 116.67 114.50 1udr s ASP 75 Ca 0.22 0.14 0.41 0.00 -0.52 0.00 0.00 52.55 52.80 1udr s ASP 75 Cb 0.19 -2.24 2.27 0.00 -1.46 0.00 0.00 42.92 41.68 1udr s ASP 75 CO 0.54 -0.33 2.32 1.23 0.52 0.00 0.00 175.17 179.44 1udr h GLY 76 N 8.83 0.00 1.88 2.66 0.00 -1.89 0.36 103.07 114.91 1udr h GLY 76 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1udr h GLY 76 CO 0.71 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 177.14 1udr h ALA 77 N 1.93 0.94 0.00 3.60 0.00 -1.93 -3.38 119.26 120.42 1udr h ALA 77 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1udr h ALA 77 Cb 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.66 1udr h ALA 77 CO -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 179.25 178.67 1udr n MET 78 N -2.64 0.00 0.26 0.00 0.00 -0.53 -4.96 117.12 109.25 1udr n MET 78 Ca 0.04 -1.28 0.09 0.00 0.00 0.00 0.00 57.70 56.55 1udr n MET 78 Cb 0.48 0.12 0.68 0.00 0.00 0.00 0.00 33.22 34.50 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 0.40 0.00 -0.57 3.17 4.64 -0.36 -2.55 113.55 118.27 1udr h SER 79 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1udr h SER 79 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1udr h SER 79 CO -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 1udr n ALA 80 N -2.50 2.34 -1.68 5.18 0.00 -1.26 -4.42 120.51 118.17 1udr n ALA 80 Ca -0.03 -1.20 -0.45 0.00 0.00 0.00 0.00 53.44 51.76 1udr n ALA 80 Cb 0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 1.35 3.35 -4.75 0.00 7.94 -0.96 -4.91 117.00 119.02 1udr n LEU 81 Ca 0.20 1.09 -0.41 0.00 -1.11 0.00 0.00 56.01 55.78 1udr n LEU 81 Cb 0.57 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 1udr n LEU 81 CO 0.14 -0.19 1.12 -2.84 -1.11 0.00 0.00 177.39 174.51 1udr s PRO 82 N 0.71 4.25 -0.13 1.96 0.02 -1.26 -4.93 135.00 135.61 1udr s PRO 82 Ca 0.76 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 64.10 1udr s PRO 82 Cb -0.63 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 30.83 1udr s PRO 82 CO 0.39 -0.44 -0.01 0.08 -0.33 0.00 0.00 177.00 176.69 1udr s VAL 83 N -0.02 0.64 -0.28 3.83 1.01 -1.26 -1.46 120.40 122.86 1udr s VAL 83 Ca 0.60 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1udr s VAL 83 Cb -0.43 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1udr s VAL 83 CO 0.44 0.10 0.18 -0.22 0.00 0.00 0.00 175.10 175.60 1udr s LEU 84 N 1.84 4.00 -0.14 3.92 2.96 -0.21 -0.73 118.68 130.32 1udr s LEU 84 Ca 0.02 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.69 1udr s LEU 84 Cb -0.14 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1udr s LEU 84 CO -0.07 -0.07 0.39 -0.32 -1.32 0.00 0.00 176.35 174.97 1udr s MET 85 N 1.74 4.30 -0.18 1.98 -2.45 -0.26 -1.13 119.30 123.29 1udr s MET 85 Ca 0.07 0.28 -0.13 0.00 -1.25 0.00 0.00 55.69 54.66 1udr s MET 85 Cb -0.16 -3.44 -0.05 0.00 1.25 0.00 0.00 34.83 32.43 1udr s MET 85 CO 0.10 0.18 0.27 0.08 1.05 0.00 0.00 175.02 176.69 1udr s VAL 86 N 0.61 5.31 0.06 10.11 1.01 0.12 -0.84 120.40 136.78 1udr s VAL 86 Ca 0.21 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1udr s VAL 86 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1udr s VAL 86 CO 0.07 0.38 -0.08 0.28 0.00 0.00 0.00 175.10 175.74 1udr s THR 87 N 0.61 0.67 -0.80 3.92 -1.32 -0.27 -0.65 115.64 117.81 1udr s THR 87 Ca 0.15 -1.34 0.26 0.00 -1.21 0.00 0.00 61.69 59.54 1udr s THR 87 Cb -0.13 -0.96 0.13 0.00 -1.51 0.00 0.00 72.50 70.03 1udr s THR 87 CO 0.03 -0.49 1.55 0.00 -2.21 0.00 0.00 174.62 173.50 1udr n ALA 88 N 1.03 2.81 -3.51 11.08 0.00 -1.26 -1.02 120.51 129.64 1udr n ALA 88 Ca -0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 1udr n ALA 88 Cb 0.56 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 1udr n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1udr s GLU 89 N -3.09 0.58 -1.31 0.00 2.12 -1.26 -4.67 118.70 111.07 1udr s GLU 89 Ca 0.10 0.81 -0.12 0.00 0.36 0.00 0.00 54.97 56.11 1udr s GLU 89 Cb 0.15 0.21 0.13 0.00 0.26 0.00 0.00 34.13 34.88 1udr s GLU 89 CO 0.66 -0.10 1.87 0.00 -0.54 0.00 0.00 175.26 177.15 1udr n ALA 90 N 3.29 4.99 -2.13 6.30 0.00 -1.26 -4.97 120.51 126.73 1udr n ALA 90 Ca -0.16 -4.16 -0.41 0.00 0.00 0.00 0.00 53.44 48.71 1udr n ALA 90 Cb 0.56 -3.19 -0.04 0.00 0.00 0.00 0.00 19.45 16.79 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 2.07 7.26 0.28 0.00 2.15 -1.26 -4.89 116.67 122.28 1udr s ASP 91 Ca 0.43 2.05 0.02 0.00 0.43 0.00 0.00 52.55 55.48 1udr s ASP 91 Cb 0.08 -2.60 0.66 0.00 -0.30 0.00 0.00 42.92 40.76 1udr s ASP 91 CO -0.01 -0.24 1.70 0.00 -0.17 0.00 0.00 175.17 176.45 1udr h ALA 92 N 5.35 1.34 -0.29 3.66 0.00 -1.99 0.26 119.26 127.59 1udr h ALA 92 Ca -0.44 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1udr h ALA 92 Cb 1.21 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1udr h ALA 92 CO 0.73 -0.31 -0.09 0.93 0.00 0.00 0.00 179.25 180.52 1udr h GLU 93 N 0.41 0.56 0.24 0.00 5.08 -1.99 -2.19 114.58 116.69 1udr h GLU 93 Ca 0.53 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1udr h GLU 93 Cb 0.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1udr h GLU 93 CO -0.51 0.77 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.08 1udr h ASN 94 N 0.32 -0.78 -0.96 1.42 4.21 -1.43 0.29 115.58 118.65 1udr h ASN 94 Ca 0.07 0.08 0.14 0.00 1.21 0.00 0.00 56.30 57.79 1udr h ASN 94 Cb 0.58 0.27 -0.09 0.00 -1.12 0.00 0.00 38.32 37.96 1udr h ASN 94 CO 0.03 -0.40 0.58 0.40 -1.29 0.00 0.00 177.43 176.76 1udr h ILE 95 N -0.57 0.85 -0.28 2.81 2.04 -0.56 0.24 117.51 122.04 1udr h ILE 95 Ca 0.00 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 1udr h ILE 95 Cb 0.54 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1udr h ILE 95 CO -0.09 0.16 -0.36 0.11 0.00 0.00 0.00 178.15 177.97 1udr h LYS 96 N 0.87 0.74 -0.06 2.37 1.57 -0.80 -1.11 116.57 120.15 1udr h LYS 96 Ca 0.50 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1udr h LYS 96 Cb 0.59 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1udr h LYS 96 CO -0.30 1.04 0.03 0.00 -0.57 0.00 0.00 179.45 179.65 1udr h ALA 97 N 0.68 0.07 -0.95 3.86 0.00 0.54 0.24 119.26 123.70 1udr h ALA 97 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1udr h ALA 97 Cb 0.95 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1udr h ALA 97 CO 0.09 -0.45 0.60 -0.07 0.00 0.00 0.00 179.25 179.42 1udr h LEU 98 N 0.06 0.93 -0.21 0.00 3.38 -0.49 0.15 115.31 119.13 1udr h LEU 98 Ca 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1udr h LEU 98 Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1udr h LEU 98 CO -0.02 0.56 -0.03 0.00 0.09 0.00 0.00 178.44 179.04 1udr h ALA 99 N 1.46 0.28 -0.61 1.53 0.00 -0.55 -2.08 119.26 119.29 1udr h ALA 99 Ca 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1udr h ALA 99 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1udr h ALA 99 CO -0.21 0.04 0.28 1.96 0.00 0.00 0.00 179.25 181.32 1udr h GLN 100 N 0.12 0.87 0.00 0.00 1.08 0.42 -2.55 115.11 115.05 1udr h GLN 100 Ca 0.05 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1udr h GLN 100 Cb 0.46 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1udr h GLN 100 CO 0.02 0.68 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 1udr n ALA 101 N -2.45 2.22 -0.63 3.87 0.00 0.43 -4.93 120.51 119.03 1udr n ALA 101 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1udr n ALA 101 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.99 0.87 3.77 0.00 0.00 -0.96 -4.63 105.19 105.23 1udr n GLY 102 Ca 0.09 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 3.19 -0.12 4.61 0.00 -0.80 -4.87 121.76 121.77 1udr s ALA 103 Ca 0.00 1.23 0.20 0.00 0.00 0.00 0.00 51.96 53.38 1udr s ALA 103 Cb 0.00 -3.49 0.40 0.00 0.00 0.00 0.00 23.12 20.03 1udr s ALA 103 CO 0.00 -0.88 1.60 0.77 0.00 0.00 0.00 175.76 177.25 1udr h SER 104 N 2.48 0.00 0.00 0.00 0.02 -1.27 -3.46 113.55 111.31 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 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1udr h SER 104 CO 0.62 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 1udr n GLY 105 N 0.86 -0.71 3.14 -3.77 0.00 -1.20 -4.86 105.19 98.65 1udr n GLY 105 Ca 0.02 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 0.25 -0.04 1.61 1.13 -1.26 -1.11 117.35 115.93 1udr s TYR 106 Ca 0.00 -0.64 -0.02 0.00 -1.41 0.00 0.00 57.07 54.99 1udr s TYR 106 Cb 0.00 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1udr s TYR 106 CO 0.00 -0.43 0.09 0.54 -2.51 0.00 0.00 175.55 173.24 1udr s VAL 107 N -3.31 -0.03 -0.04 -3.49 0.11 -0.02 -4.91 120.40 108.71 1udr s VAL 107 Ca 0.01 0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1udr s VAL 107 Cb 0.03 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1udr s VAL 107 CO -0.08 0.04 0.66 -0.69 -3.33 0.00 0.00 175.10 171.70 1udr s VAL 108 N 0.59 4.97 0.13 2.04 1.01 -1.25 -1.11 120.40 126.78 1udr s VAL 108 Ca -0.05 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 1udr s VAL 108 Cb -0.06 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1udr s VAL 108 CO -0.02 0.33 0.34 -1.59 0.00 0.00 0.00 175.10 174.16 1udr s LYS 109 N 0.36 3.58 0.36 2.72 -2.85 -0.19 -3.84 119.74 119.88 1udr s LYS 109 Ca 0.35 -0.17 -0.25 0.00 -1.00 0.00 0.00 55.97 54.89 1udr s LYS 109 Cb -0.18 -2.88 -0.09 0.00 -2.06 0.00 0.00 37.83 32.61 1udr s LYS 109 CO 0.18 0.49 1.02 -1.25 0.10 0.00 0.00 175.35 175.89 1udr s PRO 110 N -2.66 4.37 0.25 1.78 0.04 -1.26 -4.71 135.00 132.81 1udr s PRO 110 Ca 0.40 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.99 1udr s PRO 110 Cb -0.12 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1udr s PRO 110 CO 0.25 0.05 -0.07 -0.59 0.04 0.00 0.00 177.00 176.69 1udr s PHE 111 N -1.58 1.79 0.39 0.56 -0.12 -1.25 -5.16 117.98 112.61 1udr s PHE 111 Ca 0.53 -0.71 0.08 0.00 -0.05 0.00 0.00 56.93 56.77 1udr s PHE 111 Cb -0.22 -0.98 0.00 0.00 -0.63 0.00 0.00 43.02 41.19 1udr s PHE 111 CO 0.28 0.23 0.52 0.95 -0.05 0.00 0.00 175.22 177.15 1udr s THR 112 N -3.09 3.33 0.48 -4.49 -4.23 -1.26 -4.98 115.64 101.40 1udr s THR 112 Ca 0.27 -1.03 0.19 0.00 -1.18 0.00 0.00 61.69 59.94 1udr s THR 112 Cb 0.03 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.98 1udr s THR 112 CO 0.10 -0.05 2.07 0.00 -0.54 0.00 0.00 174.62 176.19 1udr h ALA 113 N 0.76 1.68 -0.15 3.99 0.00 -1.99 -1.60 119.26 121.95 1udr h ALA 113 Ca -0.42 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1udr h ALA 113 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1udr h ALA 113 CO 0.49 0.14 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 1udr h ALA 114 N 1.89 0.24 -0.73 0.00 0.00 -1.96 -0.44 119.26 118.25 1udr h ALA 114 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1udr h ALA 114 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1udr h ALA 114 CO 0.01 0.24 0.24 1.15 0.00 0.00 0.00 179.25 180.89 1udr h THR 115 N 0.07 1.26 -0.52 0.00 2.02 -1.85 -2.14 112.91 111.76 1udr h THR 115 Ca 0.01 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1udr h THR 115 Cb 0.86 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1udr h THR 115 CO 0.06 0.35 0.25 0.25 0.37 0.00 0.00 175.52 176.80 1udr h LEU 116 N 1.08 0.68 -0.27 2.58 5.85 -1.23 -2.25 115.31 121.74 1udr h LEU 116 Ca 0.24 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1udr h LEU 116 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1udr h LEU 116 CO -0.01 0.62 0.15 -0.08 -0.34 0.00 0.00 178.44 178.78 1udr h GLU 117 N 0.69 0.31 -0.92 1.25 4.81 -0.73 -0.48 114.58 119.51 1udr h GLU 117 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1udr h GLU 117 Cb 0.12 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1udr h GLU 117 CO -0.02 0.21 0.54 1.49 -0.73 0.00 0.00 179.01 180.50 1udr h GLU 118 N 0.32 1.26 -0.37 1.92 4.81 -1.24 -1.03 114.58 120.25 1udr h GLU 118 Ca 0.11 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1udr h GLU 118 Cb 0.00 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1udr h GLU 118 CO -0.05 0.89 0.05 0.87 -0.73 0.00 0.00 179.01 180.03 1udr h LYS 119 N 1.27 0.62 -0.49 1.92 1.79 -0.86 -2.22 116.57 118.61 1udr h LYS 119 Ca 0.33 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1udr h LYS 119 Cb -0.04 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1udr h LYS 119 CO -0.06 0.69 0.14 -0.07 -1.08 0.00 0.00 179.45 179.07 1udr h LEU 120 N 0.46 0.72 -0.93 2.94 3.38 -0.82 -2.73 115.31 118.33 1udr h LEU 120 Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1udr h LEU 120 Cb 0.38 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1udr h LEU 120 CO 0.01 0.75 0.34 0.78 0.09 0.00 0.00 178.44 180.41 1udr h ASN 121 N 0.66 1.02 -0.70 -0.43 2.35 -1.10 -0.71 115.58 116.67 1udr h ASN 121 Ca 0.16 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1udr h ASN 121 Cb 0.29 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1udr h ASN 121 CO -0.00 0.88 0.25 0.11 -1.65 0.00 0.00 177.43 177.02 1udr h LYS 122 N 1.10 1.07 -0.14 0.81 1.57 -1.26 -1.35 116.57 118.37 1udr h LYS 122 Ca 0.26 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1udr h LYS 122 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1udr h LYS 122 CO -0.03 0.90 -0.04 0.82 -0.57 0.00 0.00 179.45 180.53 1udr h ILE 123 N 1.02 1.29 -0.99 1.86 2.04 -1.17 -1.53 117.51 120.03 1udr h ILE 123 Ca 0.23 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1udr h ILE 123 Cb 0.25 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1udr h ILE 123 CO -0.01 0.29 0.65 -0.26 0.00 0.00 0.00 178.15 178.82 1udr h PHE 124 N -0.03 1.22 -0.02 1.37 0.04 -1.03 -1.50 116.94 116.99 1udr h PHE 124 Ca 0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1udr h PHE 124 Cb 0.47 -0.41 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1udr h PHE 124 CO 0.05 0.71 -0.00 1.49 -0.60 0.00 0.00 178.31 179.96 1udr h GLU 125 N 1.26 0.04 -0.87 1.51 4.57 -1.17 0.25 114.58 120.17 1udr h GLU 125 Ca 0.39 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.65 1udr h GLU 125 Cb -0.01 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 1udr h GLU 125 CO -0.12 0.34 0.56 -0.22 -1.18 0.00 0.00 179.01 178.39 1udr h LYS 126 N -0.26 0.86 0.00 1.92 3.64 -0.91 -1.12 116.57 120.70 1udr h LYS 126 Ca 0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1udr h LYS 126 Cb 0.32 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1udr h LYS 126 CO 0.00 0.57 -0.70 -0.07 -2.27 0.00 0.00 179.45 176.99 1udr h LEU 127 N 0.89 0.00 -2.72 5.20 4.07 -1.22 -3.49 115.31 118.05 1udr h LEU 127 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1udr h LEU 127 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1udr h LEU 127 CO -0.16 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 177.96 1udr n GLY 128 N 1.19 0.90 0.00 0.83 0.00 0.31 -5.09 105.19 103.34 1udr n GLY 128 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1udr n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35