#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbr s ASN 2 N 0.00 5.74 0.00 3.54 2.47 -1.26 -4.91 114.94 120.51 2cbr s ASN 2 Ca 0.00 -1.05 0.24 0.00 0.42 0.00 0.00 52.86 52.48 2cbr s ASN 2 Cb 0.00 -2.02 0.35 0.00 -1.45 0.00 0.00 41.25 38.13 2cbr s ASN 2 CO 0.00 -0.40 1.31 0.49 -3.72 0.00 0.00 177.10 174.77 2cbr n PHE 3 N 4.99 0.00 -1.89 0.43 3.01 -1.26 -4.96 117.46 117.79 2cbr n PHE 3 Ca -0.12 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.97 2cbr n PHE 3 Cb 0.46 -0.16 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 2cbr n PHE 3 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cbr s ALA 4 N -2.91 2.80 0.00 4.37 0.00 -1.26 -4.67 121.76 120.10 2cbr s ALA 4 Ca 0.13 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2cbr s ALA 4 Cb 0.17 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2cbr s ALA 4 CO 0.71 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2cbr n GLY 5 N 0.67 0.77 3.33 0.00 0.00 0.16 -4.94 105.19 105.19 2cbr n GLY 5 Ca 0.10 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 2cbr n GLY 5 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cbr s THR 6 N -1.55 2.70 0.09 2.61 -1.32 -1.26 -0.43 115.64 116.47 2cbr s THR 6 Ca 0.00 -0.80 0.07 0.00 -1.21 0.00 0.00 61.69 59.75 2cbr s THR 6 Cb 0.00 -2.09 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 2cbr s THR 6 CO 0.00 0.54 -0.19 0.26 -2.21 0.00 0.00 174.62 173.02 2cbr s TRP 7 N 0.21 1.65 0.11 9.09 0.52 0.11 -1.12 118.94 129.52 2cbr s TRP 7 Ca -0.11 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.67 2cbr s TRP 7 Cb -0.16 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.20 2cbr s TRP 7 CO 0.06 0.16 -0.19 -1.59 0.02 0.00 0.00 176.95 175.41 2cbr s LYS 8 N -1.75 1.09 -0.02 4.98 -2.85 -0.76 -1.34 119.74 119.09 2cbr s LYS 8 Ca 0.05 -1.18 -0.28 0.00 -1.00 0.00 0.00 55.97 53.55 2cbr s LYS 8 Cb -0.10 -1.23 -0.03 0.00 -2.06 0.00 0.00 37.83 34.41 2cbr s LYS 8 CO 0.03 0.27 0.91 1.41 0.10 0.00 0.00 175.35 178.08 2cbr s MET 9 N -2.12 4.52 -0.12 1.78 -2.45 -1.26 -1.71 119.30 117.94 2cbr s MET 9 Ca 0.07 1.29 -0.01 0.00 -1.25 0.00 0.00 55.69 55.79 2cbr s MET 9 Cb -0.09 -3.46 -0.25 0.00 1.25 0.00 0.00 34.83 32.29 2cbr s MET 9 CO 0.04 -0.03 0.36 -2.13 1.05 0.00 0.00 175.02 174.31 2cbr n ARG 10 N 3.92 0.72 -3.58 4.11 0.63 0.11 -4.96 116.66 117.61 2cbr n ARG 10 Ca 0.04 0.25 -0.11 0.00 -0.92 0.00 0.00 57.85 57.11 2cbr n ARG 10 Cb 0.51 -1.70 -0.05 0.00 0.45 0.00 0.00 32.46 31.66 2cbr n ARG 10 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2cbr s SER 11 N -6.74 -0.40 0.15 6.15 1.04 -1.14 -4.98 113.70 107.77 2cbr s SER 11 Ca -0.19 0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.81 2cbr s SER 11 Cb 0.07 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2cbr s SER 11 CO 0.77 -0.34 -0.19 -0.55 0.98 0.00 0.00 173.24 173.90 2cbr s SER 12 N -0.96 2.69 -0.18 7.02 0.15 -1.26 -0.28 113.70 120.87 2cbr s SER 12 Ca -0.02 -0.82 -0.06 0.00 0.70 0.00 0.00 55.95 55.75 2cbr s SER 12 Cb -0.01 -0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.23 2cbr s SER 12 CO 0.01 -0.00 0.36 -0.70 1.20 0.00 0.00 173.24 174.11 2cbr s GLU 13 N -2.57 0.27 -0.88 5.44 2.12 -0.36 -4.91 118.70 117.81 2cbr s GLU 13 Ca 0.14 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2cbr s GLU 13 Cb -0.07 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2cbr s GLU 13 CO 0.06 -0.33 0.00 0.09 -0.54 0.00 0.00 175.26 174.55 2cbr n ASN 14 N 5.37 -3.59 -0.08 -1.70 3.02 -1.26 -1.82 115.26 115.21 2cbr n ASN 14 Ca -0.07 0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 2cbr n ASN 14 Cb 0.50 -2.46 0.18 0.00 -0.61 0.00 0.00 39.78 37.39 2cbr n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2cbr h PHE 15 N 0.00 0.77 -0.21 3.10 3.57 -1.92 -0.80 116.94 121.45 2cbr h PHE 15 Ca -0.21 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.08 2cbr h PHE 15 Cb 0.93 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2cbr h PHE 15 CO 0.25 0.74 -0.26 0.22 -2.23 0.00 0.00 178.31 177.03 2cbr h ASP 16 N 0.67 0.60 -0.34 0.41 1.82 -1.97 -1.98 116.42 115.63 2cbr h ASP 16 Ca 0.13 -0.50 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 2cbr h ASP 16 Cb 0.46 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2cbr h ASP 16 CO 0.02 0.98 0.23 -0.33 -1.61 0.00 0.00 179.24 178.52 2cbr h GLU 17 N 0.23 0.46 0.09 0.28 4.39 -1.91 0.33 114.58 118.44 2cbr h GLU 17 Ca 0.03 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2cbr h GLU 17 Cb 0.83 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2cbr h GLU 17 CO 0.06 0.31 -0.04 1.25 -1.16 0.00 0.00 179.01 179.43 2cbr h LEU 18 N 0.47 -0.10 -1.89 1.33 5.85 -0.91 -0.27 115.31 119.79 2cbr h LEU 18 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2cbr h LEU 18 Cb -0.05 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2cbr h LEU 18 CO -0.03 0.10 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.04 2cbr h LEU 19 N -0.31 0.00 0.70 2.25 3.38 -0.57 -1.73 115.31 119.02 2cbr h LEU 19 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2cbr h LEU 19 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2cbr h LEU 19 CO 0.02 0.07 -0.34 0.11 0.09 0.00 0.00 178.44 178.40 2cbr h LYS 20 N 0.00 -0.90 -0.96 1.13 1.57 -0.48 -1.23 116.57 115.70 2cbr h LYS 20 Ca -0.00 0.06 0.28 0.00 -1.87 0.00 0.00 60.65 59.12 2cbr h LYS 20 Cb 0.13 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2cbr h LYS 20 CO 0.01 -0.58 0.73 0.00 -0.57 0.00 0.00 179.45 179.04 2cbr h ALA 21 N -1.05 2.87 -0.17 3.86 0.00 -0.54 0.68 119.26 124.91 2cbr h ALA 21 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cbr h ALA 21 Cb 0.74 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2cbr h ALA 21 CO 0.16 -1.22 0.00 1.28 0.00 0.00 0.00 179.25 179.46 2cbr n LEU 22 N -4.11 1.95 -1.83 0.00 4.77 -0.70 -4.87 117.00 112.21 2cbr n LEU 22 Ca 0.20 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2cbr n LEU 22 Cb 1.06 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 2cbr n LEU 22 CO 0.37 0.39 0.06 0.61 -1.33 0.00 0.00 177.39 177.50 2cbr n GLY 23 N 1.20 0.14 3.78 -0.72 0.00 0.24 -5.02 105.19 104.80 2cbr n GLY 23 Ca 0.17 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2cbr n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cbr s VAL 24 N -3.00 4.60 0.13 1.61 1.01 -0.49 -5.00 120.40 119.27 2cbr s VAL 24 Ca 0.22 1.48 -0.34 0.00 0.00 0.00 0.00 61.98 63.34 2cbr s VAL 24 Cb -0.10 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 2cbr s VAL 24 CO 0.27 0.50 1.62 -3.20 0.00 0.00 0.00 175.10 174.30 2cbr n ASN 25 N 1.92 3.17 -0.42 3.32 5.15 -1.26 -4.72 115.26 122.43 2cbr n ASN 25 Ca -0.07 1.07 0.35 0.00 -0.60 0.00 0.00 54.58 55.32 2cbr n ASN 25 Cb 0.50 -1.43 0.63 0.00 -0.53 0.00 0.00 39.78 38.95 2cbr n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cbr h ALA 26 N 6.39 2.63 0.00 5.20 0.00 -1.98 0.93 119.26 132.43 2cbr h ALA 26 Ca -0.45 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2cbr h ALA 26 Cb 1.25 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2cbr h ALA 26 CO 0.90 -1.24 -0.67 0.52 0.00 0.00 0.00 179.25 178.76 2cbr h MET 27 N 0.13 0.00 -0.07 0.00 2.86 -2.00 -1.92 114.93 113.92 2cbr h MET 27 Ca 0.79 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 58.26 2cbr h MET 27 Cb 2.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 34.08 2cbr h MET 27 CO -0.42 0.67 -0.63 -0.07 1.06 0.00 0.00 176.91 177.52 2cbr h LEU 28 N 0.00 0.68 -0.85 1.22 3.38 0.44 -2.94 115.31 117.24 2cbr h LEU 28 Ca -0.01 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.34 2cbr h LEU 28 Cb 1.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 2cbr h LEU 28 CO 0.09 1.26 0.53 0.03 0.09 0.00 0.00 178.44 180.43 2cbr h ARG 29 N 0.16 0.94 -0.60 1.13 3.08 -0.95 0.41 114.38 118.55 2cbr h ARG 29 Ca -0.06 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.01 2cbr h ARG 29 Cb 1.29 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 2cbr h ARG 29 CO 0.13 0.62 0.27 -0.22 -1.07 0.00 0.00 179.97 179.70 2cbr h LYS 30 N 0.97 0.47 0.00 0.04 3.64 -1.32 0.52 116.57 120.89 2cbr h LYS 30 Ca 0.37 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2cbr h LYS 30 Cb 0.16 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2cbr h LYS 30 CO -0.17 0.31 -0.00 0.28 -2.27 0.00 0.00 179.45 177.60 2cbr h VAL 31 N 0.49 1.37 0.51 2.00 2.07 -0.98 -2.76 116.25 118.94 2cbr h VAL 31 Ca 0.29 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2cbr h VAL 31 Cb 0.29 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2cbr h VAL 31 CO -0.25 0.28 -0.35 0.00 0.02 0.00 0.00 177.57 177.27 2cbr h ALA 32 N 0.53 -0.86 -0.93 1.67 0.00 0.16 0.01 119.26 119.84 2cbr h ALA 32 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 2cbr h ALA 32 Cb 0.46 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2cbr h ALA 32 CO 0.00 -1.00 0.52 0.28 0.00 0.00 0.00 179.25 179.04 2cbr h VAL 33 N -0.83 0.70 0.54 0.00 2.07 -0.08 0.50 116.25 119.15 2cbr h VAL 33 Ca -0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2cbr h VAL 33 Cb 0.70 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2cbr h VAL 33 CO 0.03 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.48 2cbr h ALA 34 N 1.61 -0.73 -0.67 1.67 0.00 -1.15 -2.78 119.26 117.21 2cbr h ALA 34 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2cbr h ALA 34 Cb 0.80 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2cbr h ALA 34 CO -0.39 -0.88 0.42 0.00 0.00 0.00 0.00 179.25 178.41 2cbr h ALA 35 N -0.37 0.85 0.00 0.00 0.00 0.08 -2.54 119.26 117.28 2cbr h ALA 35 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2cbr h ALA 35 Cb 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2cbr h ALA 35 CO 0.12 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2cbr h ALA 36 N 1.22 1.00 -0.44 0.00 0.00 0.03 -2.89 119.26 118.18 2cbr h ALA 36 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2cbr h ALA 36 Cb -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2cbr h ALA 36 CO -0.05 0.00 -0.16 0.77 0.00 0.00 0.00 179.25 179.81 2cbr h SER 37 N 0.00 0.85 -2.29 0.00 0.02 -1.17 -3.31 113.55 107.65 2cbr h SER 37 Ca 0.00 -0.28 -0.63 0.00 -0.84 0.00 0.00 61.79 60.04 2cbr h SER 37 Cb 0.10 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 62.01 2cbr h SER 37 CO 0.00 1.00 -0.39 0.29 -1.14 0.00 0.00 176.83 176.60 2cbr n LYS 38 N -4.13 3.37 -3.08 3.45 4.01 -1.09 -4.87 118.16 115.82 2cbr n LYS 38 Ca 0.01 -4.79 -0.34 0.00 -0.51 0.00 0.00 58.31 52.68 2cbr n LYS 38 Cb 0.41 -2.28 -0.06 0.00 -0.51 0.00 0.00 35.03 32.58 2cbr n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2cbr s PRO 39 N -3.30 4.17 -0.14 1.97 0.04 -1.25 -4.75 135.00 131.73 2cbr s PRO 39 Ca 0.45 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2cbr s PRO 39 Cb 0.23 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 2cbr s PRO 39 CO -0.10 0.26 -0.09 -1.58 0.04 0.00 0.00 177.00 175.54 2cbr s HIS 40 N -1.76 2.91 -0.13 0.56 2.46 0.46 -4.24 115.29 115.55 2cbr s HIS 40 Ca 0.49 -0.52 0.02 0.00 0.47 0.00 0.00 55.06 55.53 2cbr s HIS 40 Cb -0.14 -1.90 0.01 0.00 -0.13 0.00 0.00 32.58 30.42 2cbr s HIS 40 CO 0.19 -0.16 -0.20 0.08 -2.47 0.00 0.00 174.74 172.18 2cbr s VAL 41 N 0.41 1.92 -0.15 0.89 1.01 -0.45 -0.50 120.40 123.54 2cbr s VAL 41 Ca -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2cbr s VAL 41 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2cbr s VAL 41 CO 0.04 0.52 -0.11 -0.70 0.00 0.00 0.00 175.10 174.86 2cbr s GLU 42 N 0.81 3.41 -0.10 2.72 2.12 0.30 0.09 118.70 128.04 2cbr s GLU 42 Ca -0.08 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2cbr s GLU 42 Cb -0.16 -2.72 0.02 0.00 0.26 0.00 0.00 34.13 31.54 2cbr s GLU 42 CO -0.01 0.14 -0.08 0.42 -0.54 0.00 0.00 175.26 175.19 2cbr s ILE 43 N 0.55 1.03 -0.12 -3.70 1.01 0.43 -0.22 121.20 120.18 2cbr s ILE 43 Ca -0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 2cbr s ILE 43 Cb -0.15 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2cbr s ILE 43 CO 0.03 0.36 -0.12 -0.13 0.00 0.00 0.00 174.94 175.09 2cbr s ARG 44 N 1.53 3.34 0.06 2.79 1.81 -0.05 0.40 118.95 128.84 2cbr s ARG 44 Ca 0.02 -0.66 0.04 0.00 -1.72 0.00 0.00 55.73 53.41 2cbr s ARG 44 Cb -0.13 -2.65 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 2cbr s ARG 44 CO -0.06 0.27 -0.13 -1.14 -0.68 0.00 0.00 175.30 173.56 2cbr s GLN 45 N 0.23 0.75 -0.42 3.54 0.74 -1.26 -0.55 119.66 122.69 2cbr s GLN 45 Ca -0.08 -0.91 0.05 0.00 0.05 0.00 0.00 55.36 54.47 2cbr s GLN 45 Cb -0.15 -0.70 0.17 0.00 1.10 0.00 0.00 33.01 33.42 2cbr s GLN 45 CO 0.05 0.15 0.46 0.34 -0.55 0.00 0.00 175.29 175.74 2cbr s ASP 46 N -1.69 0.45 1.69 6.67 3.68 -0.14 -4.96 116.67 122.36 2cbr s ASP 46 Ca -0.04 -1.89 0.00 0.00 2.13 0.00 0.00 52.55 52.75 2cbr s ASP 46 Cb -0.10 0.73 0.00 0.00 -1.45 0.00 0.00 42.92 42.10 2cbr s ASP 46 CO 0.02 -0.19 0.00 0.61 0.13 0.00 0.00 175.17 175.74 2cbr n GLY 47 N 3.66 2.76 0.00 2.66 0.00 -1.26 -1.07 105.19 111.94 2cbr n GLY 47 Ca 0.17 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.07 2cbr n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cbr n ASP 48 N 5.28 0.00 -4.68 1.61 8.00 -1.26 -4.75 116.55 120.75 2cbr n ASP 48 Ca 0.00 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 2cbr n ASP 48 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 2cbr n ASP 48 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cbr s GLN 49 N -2.02 4.30 0.00 -1.24 2.00 -0.23 -1.15 119.66 121.33 2cbr s GLN 49 Ca 0.45 0.87 0.05 0.00 -2.00 0.00 0.00 55.36 54.73 2cbr s GLN 49 Cb 0.21 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.46 2cbr s GLN 49 CO 0.35 -0.21 -0.16 -0.06 -0.50 0.00 0.00 175.29 174.71 2cbr s PHE 50 N 1.78 1.43 -0.10 1.67 0.40 0.32 -0.97 117.98 122.51 2cbr s PHE 50 Ca 0.35 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2cbr s PHE 50 Cb -0.17 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.48 2cbr s PHE 50 CO 0.13 -0.00 -0.11 -0.47 0.70 0.00 0.00 175.22 175.47 2cbr s TYR 51 N -0.50 1.60 -0.14 0.36 5.04 0.28 -1.52 117.35 122.49 2cbr s TYR 51 Ca 0.06 -0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 53.92 2cbr s TYR 51 Cb -0.07 -1.24 0.04 0.00 0.35 0.00 0.00 41.96 41.04 2cbr s TYR 51 CO -0.00 -0.46 -0.00 0.42 -1.34 0.00 0.00 175.55 174.17 2cbr s ILE 52 N 1.29 0.63 -0.19 3.14 1.01 -0.50 -0.87 121.20 125.71 2cbr s ILE 52 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 2cbr s ILE 52 Cb -0.14 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2cbr s ILE 52 CO -0.04 0.08 -0.03 -0.75 0.00 0.00 0.00 174.94 174.20 2cbr s LYS 53 N 1.84 3.58 -0.21 2.79 2.20 0.69 -1.65 119.74 128.97 2cbr s LYS 53 Ca 0.02 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 2cbr s LYS 53 Cb -0.15 -2.99 0.03 0.00 -1.51 0.00 0.00 37.83 33.21 2cbr s LYS 53 CO -0.07 0.06 -0.14 0.99 -0.36 0.00 0.00 175.35 175.83 2cbr s THR 54 N 0.84 2.34 -0.00 3.43 2.01 -0.13 -0.54 115.64 123.60 2cbr s THR 54 Ca -0.00 -1.07 0.08 0.00 0.31 0.00 0.00 61.69 61.00 2cbr s THR 54 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2cbr s THR 54 CO 0.02 0.34 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.61 2cbr s SER 55 N 1.27 3.31 0.33 3.53 0.01 0.34 -1.44 113.70 121.05 2cbr s SER 55 Ca 0.01 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.89 2cbr s SER 55 Cb -0.15 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2cbr s SER 55 CO -0.09 0.30 0.27 0.35 0.41 0.00 0.00 173.24 174.48 2cbr n THR 56 N 2.15 0.00 -0.03 1.44 -2.24 -0.96 -0.40 114.28 114.24 2cbr n THR 56 Ca -0.16 -2.40 -0.14 0.00 -2.27 0.00 0.00 64.05 59.07 2cbr n THR 56 Cb 0.52 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 2cbr n THR 56 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2cbr h THR 57 N 2.03 1.29 -0.00 4.28 2.02 -1.88 -3.33 112.91 117.32 2cbr h THR 57 Ca -0.24 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.05 2cbr h THR 57 Cb 1.18 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2cbr h THR 57 CO 0.35 0.60 -0.70 1.33 0.37 0.00 0.00 175.52 177.46 2cbr n VAL 58 N -3.95 0.00 -3.64 3.16 0.24 -1.26 -4.96 118.33 107.92 2cbr n VAL 58 Ca -0.05 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 2cbr n VAL 58 Cb 0.69 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 2cbr n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2cbr s ARG 59 N -2.88 0.59 -0.05 7.34 3.52 -1.25 -5.16 118.95 121.06 2cbr s ARG 59 Ca 0.12 0.84 0.02 0.00 -0.13 0.00 0.00 55.73 56.58 2cbr s ARG 59 Cb 0.17 0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 2cbr s ARG 59 CO 0.74 -0.09 -0.08 0.99 -0.81 0.00 0.00 175.30 176.05 2cbr s THR 60 N 0.88 0.79 -0.04 4.11 2.01 -1.26 -2.27 115.64 119.86 2cbr s THR 60 Ca -0.04 -0.30 0.06 0.00 0.31 0.00 0.00 61.69 61.72 2cbr s THR 60 Cb -0.05 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 2cbr s THR 60 CO -0.10 0.27 -0.21 0.42 -0.69 0.00 0.00 174.62 174.31 2cbr s THR 61 N 0.67 2.48 -0.23 -0.82 -4.23 -0.52 -4.98 115.64 108.00 2cbr s THR 61 Ca -0.11 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2cbr s THR 61 Cb -0.14 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.84 2cbr s THR 61 CO 0.02 0.58 -0.07 -1.61 -0.54 0.00 0.00 174.62 173.00 2cbr s GLU 62 N -0.53 1.78 0.14 3.99 2.02 -1.26 -0.95 118.70 123.89 2cbr s GLU 62 Ca 0.07 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 54.11 2cbr s GLU 62 Cb -0.11 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2cbr s GLU 62 CO 0.01 -0.57 -0.09 0.96 0.02 0.00 0.00 175.26 175.58 2cbr s ILE 63 N 1.34 3.30 -0.02 -1.63 -4.36 -0.66 -4.99 121.20 114.18 2cbr s ILE 63 Ca -0.06 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2cbr s ILE 63 Cb -0.19 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 40.96 2cbr s ILE 63 CO -0.06 0.00 0.01 0.21 0.24 0.00 0.00 174.94 175.35 2cbr s ASN 64 N -2.51 0.16 0.26 4.36 2.47 -1.26 -1.41 114.94 117.01 2cbr s ASN 64 Ca 0.23 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.31 2cbr s ASN 64 Cb -0.10 -0.09 0.03 0.00 -1.45 0.00 0.00 41.25 39.63 2cbr s ASN 64 CO 0.14 -0.09 0.74 0.72 -3.72 0.00 0.00 177.10 174.89 2cbr s PHE 65 N 0.82 -0.20 -0.15 0.43 -0.71 -0.57 -4.88 117.98 112.72 2cbr s PHE 65 Ca -0.07 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 2cbr s PHE 65 Cb -0.10 0.70 0.02 0.00 -1.21 0.00 0.00 43.02 42.43 2cbr s PHE 65 CO -0.02 -1.18 -0.13 0.21 -1.34 0.00 0.00 175.22 172.76 2cbr s LYS 66 N -3.84 2.18 0.09 1.99 2.36 -1.26 -0.52 119.74 120.74 2cbr s LYS 66 Ca 0.11 -0.54 -0.33 0.00 -2.55 0.00 0.00 55.97 52.66 2cbr s LYS 66 Cb -0.05 -2.06 -0.13 0.00 -1.05 0.00 0.00 37.83 34.54 2cbr s LYS 66 CO 0.06 -0.25 1.71 0.28 1.55 0.00 0.00 175.35 178.69 2cbr n VAL 67 N 4.79 0.21 0.00 4.02 0.31 -0.30 -0.44 118.33 126.93 2cbr n VAL 67 Ca -0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2cbr n VAL 67 Cb 0.50 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2cbr n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cbr n GLY 68 N 3.84 0.69 3.10 2.92 0.00 -0.76 -4.97 105.19 110.01 2cbr n GLY 68 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2cbr n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cbr s GLU 69 N -0.69 2.37 0.70 1.61 2.02 0.42 -4.99 118.70 120.15 2cbr s GLU 69 Ca 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 2cbr s GLU 69 Cb 0.00 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.34 2cbr s GLU 69 CO 0.00 0.03 1.17 0.20 0.02 0.00 0.00 175.26 176.68 2cbr s GLY 70 N 0.71 2.26 0.26 -1.39 0.00 -1.26 -4.35 107.32 103.55 2cbr s GLY 70 Ca -0.12 0.74 -0.10 0.00 0.00 0.00 0.00 44.72 45.23 2cbr s GLY 70 CO 0.03 1.12 0.46 -0.11 0.00 0.00 0.00 173.10 174.60 2cbr s PHE 71 N -2.14 0.53 -0.13 1.90 -0.71 -0.34 -4.95 117.98 112.15 2cbr s PHE 71 Ca 0.71 -0.87 -0.03 0.00 -1.04 0.00 0.00 56.93 55.70 2cbr s PHE 71 Cb -0.25 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.64 2cbr s PHE 71 CO 0.44 -1.01 -0.03 -1.21 -1.34 0.00 0.00 175.22 172.07 2cbr s GLU 72 N -3.81 3.37 0.00 1.99 2.02 -1.26 0.11 118.70 121.12 2cbr s GLU 72 Ca 0.25 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2cbr s GLU 72 Cb -0.00 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.38 2cbr s GLU 72 CO 0.11 0.42 0.00 -0.85 0.02 0.00 0.00 175.26 174.97 2cbr n GLU 73 N 2.98 0.00 -4.41 1.61 0.28 -1.04 -4.91 120.64 115.16 2cbr n GLU 73 Ca -0.18 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.56 2cbr n GLU 73 Cb 0.53 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.29 2cbr n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2cbr s GLU 74 N -0.59 1.69 1.05 3.44 2.02 -1.26 -0.98 118.70 124.07 2cbr s GLU 74 Ca 0.00 -1.54 -0.18 0.00 0.02 0.00 0.00 54.97 53.27 2cbr s GLU 74 Cb 0.00 -1.89 0.24 0.00 0.10 0.00 0.00 34.13 32.58 2cbr s GLU 74 CO 0.00 0.39 1.28 0.95 0.02 0.00 0.00 175.26 177.90 2cbr s THR 75 N -1.93 1.87 0.35 3.63 -4.23 0.14 -4.87 115.64 110.61 2cbr s THR 75 Ca 0.24 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.82 2cbr s THR 75 Cb -0.07 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 71.05 2cbr s THR 75 CO 0.12 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 176.66 2cbr h VAL 76 N -1.99 1.20 -0.48 2.29 2.07 -2.00 -2.53 116.25 114.80 2cbr h VAL 76 Ca -0.44 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.10 2cbr h VAL 76 Cb 1.24 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 32.03 2cbr h VAL 76 CO 0.33 0.27 0.19 -0.90 0.02 0.00 0.00 177.57 177.48 2cbr n ASP 77 N -4.26 3.77 0.00 0.57 3.85 -1.26 -4.92 116.55 114.29 2cbr n ASP 77 Ca 0.00 -2.78 0.00 0.00 -0.71 0.00 0.00 54.79 51.30 2cbr n ASP 77 Cb 0.27 -0.66 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 2cbr n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2cbr n GLY 78 N -0.03 2.88 3.76 6.12 0.00 -0.95 -5.01 105.19 111.95 2cbr n GLY 78 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2cbr n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cbr s ARG 79 N -0.07 4.19 0.13 1.61 0.52 -1.26 -4.61 118.95 119.46 2cbr s ARG 79 Ca 0.00 2.46 -0.30 0.00 -0.52 0.00 0.00 55.73 57.37 2cbr s ARG 79 Cb 0.00 -3.04 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 2cbr s ARG 79 CO 0.00 -0.50 1.01 0.21 0.02 0.00 0.00 175.30 176.04 2cbr s LYS 80 N -0.98 4.66 0.25 3.54 2.20 -1.26 0.26 119.74 128.41 2cbr s LYS 80 Ca 0.58 1.53 0.02 0.00 -0.36 0.00 0.00 55.97 57.74 2cbr s LYS 80 Cb -0.45 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2cbr s LYS 80 CO 0.51 0.17 0.17 0.00 -0.36 0.00 0.00 175.35 175.83 2cbr s ARG 82 N -3.92 3.85 0.04 0.00 6.06 0.37 -2.48 118.95 122.87 2cbr s ARG 82 Ca 0.39 -0.39 0.06 0.00 -2.50 0.00 0.00 55.73 53.29 2cbr s ARG 82 Cb 0.06 -3.28 -0.03 0.00 0.06 0.00 0.00 34.95 31.75 2cbr s ARG 82 CO 0.17 0.08 -0.14 -1.12 -2.50 0.00 0.00 175.30 171.78 2cbr s SER 83 N 0.91 4.08 -0.49 -2.12 0.01 0.12 -1.03 113.70 115.16 2cbr s SER 83 Ca 0.04 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.97 2cbr s SER 83 Cb -0.14 -0.75 0.14 0.00 0.21 0.00 0.00 66.02 65.49 2cbr s SER 83 CO 0.03 0.25 0.29 -0.76 0.41 0.00 0.00 173.24 173.46 2cbr s LEU 84 N -1.57 3.18 0.28 2.44 1.43 0.08 -1.20 118.68 123.33 2cbr s LEU 84 Ca 0.16 -2.94 -0.29 0.00 -1.03 0.00 0.00 54.13 50.03 2cbr s LEU 84 Cb -0.11 -1.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.84 2cbr s LEU 84 CO 0.07 -0.22 1.16 -2.16 0.23 0.00 0.00 176.35 175.43 2cbr s PRO 85 N -0.08 4.56 -0.04 1.29 0.04 -1.26 -2.57 135.00 136.94 2cbr s PRO 85 Ca 0.20 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2cbr s PRO 85 Cb -0.19 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2cbr s PRO 85 CO -0.05 0.08 0.33 0.99 0.04 0.00 0.00 177.00 178.40 2cbr s THR 86 N -1.01 0.04 -0.61 1.26 2.01 0.93 -1.82 115.64 116.45 2cbr s THR 86 Ca 0.47 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 2cbr s THR 86 Cb -0.34 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.60 2cbr s THR 86 CO 0.43 -0.20 1.18 0.26 -0.69 0.00 0.00 174.62 175.60 2cbr s TRP 87 N -1.03 2.57 0.22 4.92 0.52 -1.26 0.56 118.94 125.43 2cbr s TRP 87 Ca -0.11 0.27 -0.06 0.00 0.02 0.00 0.00 56.10 56.22 2cbr s TRP 87 Cb -0.05 -4.49 0.18 0.00 -1.15 0.00 0.00 33.47 27.97 2cbr s TRP 87 CO 0.04 -1.65 1.69 1.49 0.02 0.00 0.00 176.95 178.53 2cbr h GLU 88 N 9.61 0.94 0.00 4.98 4.81 -1.18 -3.46 114.58 130.27 2cbr h GLU 88 Ca -0.26 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.56 2cbr h GLU 88 Cb 1.06 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2cbr h GLU 88 CO 1.19 0.94 0.00 0.27 -0.73 0.00 0.00 179.01 180.69 2cbr n ASN 89 N -4.18 -1.08 -0.32 1.04 0.23 -1.18 -5.00 115.26 104.76 2cbr n ASN 89 Ca 0.03 -2.14 0.09 0.00 -0.53 0.00 0.00 54.58 52.03 2cbr n ASN 89 Cb 0.34 1.91 0.30 0.00 -2.08 0.00 0.00 39.78 40.25 2cbr n ASN 89 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2cbr h GLU 90 N 0.00 0.84 -0.25 -3.83 4.81 -2.02 -2.91 114.58 111.22 2cbr h GLU 90 Ca -0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2cbr h GLU 90 Cb 0.77 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2cbr h GLU 90 CO 0.25 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 179.18 2cbr n ASN 91 N -4.59 3.17 -3.96 1.04 3.02 -1.26 -4.57 115.26 108.10 2cbr n ASN 91 Ca 0.18 -2.48 -0.21 0.00 -0.03 0.00 0.00 54.58 52.04 2cbr n ASN 91 Cb 0.39 -0.35 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 2cbr n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2cbr s LYS 92 N -1.86 1.12 -0.16 3.52 2.20 -1.10 -1.04 119.74 122.42 2cbr s LYS 92 Ca 0.29 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.60 2cbr s LYS 92 Cb 0.21 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.48 2cbr s LYS 92 CO 0.10 0.01 0.00 0.42 -0.36 0.00 0.00 175.35 175.53 2cbr s ILE 93 N 0.61 4.25 -0.09 5.43 1.01 0.37 -0.60 121.20 132.19 2cbr s ILE 93 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2cbr s ILE 93 Cb -0.13 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2cbr s ILE 93 CO 0.01 0.49 -0.07 -2.28 0.00 0.00 0.00 174.94 173.10 2cbr s HIS 94 N 0.24 2.94 -0.11 3.97 5.65 0.19 -1.40 115.29 126.77 2cbr s HIS 94 Ca -0.00 -0.08 -0.02 0.00 0.25 0.00 0.00 55.06 55.22 2cbr s HIS 94 Cb -0.13 -1.76 0.04 0.00 -1.18 0.00 0.00 32.58 29.55 2cbr s HIS 94 CO 0.02 0.24 0.00 0.00 -0.65 0.00 0.00 174.74 174.35 2cbr s THR 96 N 1.92 4.87 -0.03 0.00 2.01 -1.06 -1.58 115.64 121.76 2cbr s THR 96 Ca 0.03 0.92 0.05 0.00 0.31 0.00 0.00 61.69 63.01 2cbr s THR 96 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2cbr s THR 96 CO -0.06 0.41 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.99 2cbr s GLN 97 N -1.52 1.78 -0.11 4.92 -0.21 -0.98 -0.74 119.66 122.79 2cbr s GLN 97 Ca 0.32 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.05 2cbr s GLN 97 Cb -0.17 -1.59 0.02 0.00 1.00 0.00 0.00 33.01 32.27 2cbr s GLN 97 CO 0.18 0.32 -0.13 0.95 -2.12 0.00 0.00 175.29 174.48 2cbr s THR 98 N -0.15 1.40 0.34 -0.19 -4.23 -0.20 -4.40 115.64 108.20 2cbr s THR 98 Ca 0.00 -0.57 -0.29 0.00 -1.18 0.00 0.00 61.69 59.66 2cbr s THR 98 Cb -0.10 -1.30 -0.11 0.00 1.34 0.00 0.00 72.50 72.32 2cbr s THR 98 CO 0.01 0.42 1.54 0.18 -0.54 0.00 0.00 174.62 176.24 2cbr n LEU 99 N 4.39 4.59 0.14 4.79 4.77 -1.26 -0.48 117.00 133.94 2cbr n LEU 99 Ca -0.18 1.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.88 2cbr n LEU 99 Cb 0.51 -1.61 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2cbr n LEU 99 CO 0.22 0.16 0.35 -0.07 -1.33 0.00 0.00 177.39 176.73 2cbr h LEU 100 N 3.84 -0.36 -8.85 2.23 3.38 -1.78 -3.45 115.31 110.32 2cbr h LEU 100 Ca -0.49 -0.16 -0.69 0.00 0.09 0.00 0.00 57.88 56.64 2cbr h LEU 100 Cb 1.23 0.09 -0.24 0.00 0.09 0.00 0.00 40.66 41.84 2cbr h LEU 100 CO 0.71 0.10 -0.77 -1.61 0.09 0.00 0.00 178.44 176.96 2cbr s GLU 101 N -3.69 2.65 0.96 1.13 2.02 -1.26 -5.04 118.70 115.47 2cbr s GLU 101 Ca -0.11 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2cbr s GLU 101 Cb 0.01 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2cbr s GLU 101 CO 0.40 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.63 2cbr n GLY 102 N 2.53 -1.88 3.10 -1.39 0.00 -1.26 -4.96 105.19 101.32 2cbr n GLY 102 Ca -0.17 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 2cbr n GLY 102 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cbr s ASP 103 N -4.00 0.35 0.00 1.61 1.47 -1.26 -4.87 116.67 109.97 2cbr s ASP 103 Ca 0.00 -0.80 0.00 0.00 1.18 0.00 0.00 52.55 52.93 2cbr s ASP 103 Cb 0.00 0.21 0.00 0.00 -0.34 0.00 0.00 42.92 42.79 2cbr s ASP 103 CO 0.00 -0.57 0.00 0.61 0.68 0.00 0.00 175.17 175.89 2cbr n GLY 104 N 0.38 1.43 3.77 2.12 0.00 -1.26 -5.13 105.19 106.50 2cbr n GLY 104 Ca -0.16 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2cbr n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2cbr s PRO 105 N 0.77 3.81 -0.24 1.61 0.02 -1.26 -4.94 135.00 134.77 2cbr s PRO 105 Ca 0.00 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 2cbr s PRO 105 Cb 0.00 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.98 2cbr s PRO 105 CO 0.00 -0.54 1.53 0.15 -0.33 0.00 0.00 177.00 177.81 2cbr s LYS 106 N -2.53 3.83 0.22 5.54 -0.14 -1.26 -4.82 119.74 120.58 2cbr s LYS 106 Ca 0.61 1.55 0.10 0.00 -1.36 0.00 0.00 55.97 56.87 2cbr s LYS 106 Cb -0.32 -3.99 -0.04 0.00 -1.68 0.00 0.00 37.83 31.80 2cbr s LYS 106 CO 0.39 -1.24 -0.11 0.95 -0.76 0.00 0.00 175.35 174.59 2cbr s THR 107 N 4.95 3.03 0.15 2.17 -4.23 -1.26 -1.04 115.64 119.40 2cbr s THR 107 Ca 0.67 -1.91 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 2cbr s THR 107 Cb -0.23 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.13 2cbr s THR 107 CO 0.27 -0.24 0.87 -0.72 -0.54 0.00 0.00 174.62 174.27 2cbr s TYR 108 N -2.02 -0.21 0.06 3.99 1.13 -1.04 -2.31 117.35 116.95 2cbr s TYR 108 Ca 0.27 -0.08 -0.03 0.00 -1.41 0.00 0.00 57.07 55.82 2cbr s TYR 108 Cb -0.07 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 2cbr s TYR 108 CO 0.16 -0.86 0.02 1.67 -2.51 0.00 0.00 175.55 174.03 2cbr s TRP 109 N -3.42 0.45 -0.08 -3.49 1.48 -0.61 -1.07 118.94 112.19 2cbr s TRP 109 Ca 0.10 -0.97 -0.04 0.00 -1.06 0.00 0.00 56.10 54.12 2cbr s TRP 109 Cb -0.02 -0.32 0.04 0.00 -1.16 0.00 0.00 33.47 32.00 2cbr s TRP 109 CO -0.00 -0.42 0.20 0.95 -4.06 0.00 0.00 176.95 173.62 2cbr s THR 110 N -3.91 -0.04 -0.15 0.66 -4.23 -0.32 -0.58 115.64 107.07 2cbr s THR 110 Ca 0.07 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 2cbr s THR 110 Cb 0.07 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 2cbr s THR 110 CO -0.10 0.06 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.79 2cbr s ARG 111 N 1.07 3.37 -0.04 3.99 0.52 -0.49 -1.03 118.95 126.34 2cbr s ARG 111 Ca -0.08 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 2cbr s ARG 111 Cb -0.10 -2.71 -0.00 0.00 0.52 0.00 0.00 34.95 32.67 2cbr s ARG 111 CO -0.06 0.11 -0.15 -2.00 0.02 0.00 0.00 175.30 173.22 2cbr s GLU 112 N 0.62 1.62 -0.37 3.54 2.12 -0.14 -0.48 118.70 125.61 2cbr s GLU 112 Ca -0.07 -0.54 -0.13 0.00 0.36 0.00 0.00 54.97 54.60 2cbr s GLU 112 Cb -0.15 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 32.83 2cbr s GLU 112 CO 0.03 0.20 0.25 -1.17 -0.54 0.00 0.00 175.26 174.03 2cbr s LEU 113 N 0.11 4.77 -0.14 2.70 2.96 -0.21 -0.49 118.68 128.39 2cbr s LEU 113 Ca -0.04 -0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 2cbr s LEU 113 Cb -0.11 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.51 2cbr s LEU 113 CO 0.02 -0.35 0.04 0.00 -1.32 0.00 0.00 176.35 174.74 2cbr s ALA 114 N 1.66 0.69 -1.26 5.97 0.00 0.14 -4.86 121.76 124.09 2cbr s ALA 114 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2cbr s ALA 114 Cb -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2cbr s ALA 114 CO 0.09 -0.90 1.07 0.09 0.00 0.00 0.00 175.76 176.11 2cbr n ASN 115 N 5.16 -3.66 -0.59 0.00 3.02 -1.26 -1.59 115.26 116.34 2cbr n ASN 115 Ca -0.07 -0.59 -0.08 0.00 -0.03 0.00 0.00 54.58 53.81 2cbr n ASN 115 Cb 0.49 -5.09 -0.03 0.00 -0.61 0.00 0.00 39.78 34.53 2cbr n ASN 115 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2cbr n ASP 116 N -3.09 -5.44 -4.44 6.41 -0.08 -1.26 -4.97 116.55 103.69 2cbr n ASP 116 Ca -0.18 0.19 -0.33 0.00 -1.51 0.00 0.00 54.79 52.97 2cbr n ASP 116 Cb 0.63 -3.61 -0.14 0.00 2.34 0.00 0.00 41.12 40.34 2cbr n ASP 116 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2cbr s GLU 117 N -2.50 2.59 -0.45 -0.67 2.02 -0.62 -4.27 118.70 114.80 2cbr s GLU 117 Ca 0.00 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 54.10 2cbr s GLU 117 Cb 0.00 -2.37 0.04 0.00 0.10 0.00 0.00 34.13 31.90 2cbr s GLU 117 CO 0.00 0.55 0.41 -1.17 0.02 0.00 0.00 175.26 175.08 2cbr s LEU 118 N -0.55 5.19 -0.37 1.80 2.96 0.52 -0.69 118.68 127.55 2cbr s LEU 118 Ca 0.08 -0.98 -0.21 0.00 -0.22 0.00 0.00 54.13 52.80 2cbr s LEU 118 Cb -0.11 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2cbr s LEU 118 CO 0.01 -0.61 0.65 -0.63 -1.32 0.00 0.00 176.35 174.45 2cbr s ILE 119 N 1.92 4.87 -0.14 6.68 1.09 0.36 0.17 121.20 136.16 2cbr s ILE 119 Ca 0.08 0.51 -0.06 0.00 -1.10 0.00 0.00 60.65 60.08 2cbr s ILE 119 Cb -0.20 -4.11 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 2cbr s ILE 119 CO 0.10 -0.38 0.07 -0.22 -0.10 0.00 0.00 174.94 174.42 2cbr s LEU 120 N 2.76 3.95 -0.06 2.97 2.96 0.13 -0.97 118.68 130.42 2cbr s LEU 120 Ca 0.24 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2cbr s LEU 120 Cb -0.14 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.60 2cbr s LEU 120 CO 0.16 0.31 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.48 2cbr s THR 121 N -0.44 1.11 -0.14 3.68 2.01 -0.19 -0.09 115.64 121.57 2cbr s THR 121 Ca 0.10 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2cbr s THR 121 Cb -0.12 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.39 2cbr s THR 121 CO 0.02 0.35 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.75 2cbr s PHE 122 N 0.55 2.72 -0.07 4.92 0.08 -0.03 -1.17 117.98 124.98 2cbr s PHE 122 Ca -0.12 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 55.83 2cbr s PHE 122 Cb -0.15 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 2cbr s PHE 122 CO 0.03 -0.50 -0.15 0.20 -0.10 0.00 0.00 175.22 174.69 2cbr s GLY 123 N 0.74 1.50 -0.38 4.36 0.00 -0.23 -0.17 107.32 113.14 2cbr s GLY 123 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2cbr s GLY 123 CO 0.01 -0.59 0.21 0.00 0.00 0.00 0.00 173.10 172.72 2cbr s ALA 124 N -0.36 1.37 0.00 3.20 0.00 -0.41 -2.48 121.76 123.08 2cbr s ALA 124 Ca 0.03 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2cbr s ALA 124 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2cbr s ALA 124 CO 0.02 -2.05 0.00 -0.25 0.00 0.00 0.00 175.76 173.48 2cbr n ASP 125 N 3.97 0.00 0.23 0.00 8.00 -0.21 -1.78 116.55 126.77 2cbr n ASP 125 Ca 0.09 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.70 2cbr n ASP 125 Cb 0.37 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.98 2cbr n ASP 125 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2cbr h ASP 126 N 0.00 0.00 -3.54 -2.24 3.32 -1.97 -3.45 116.42 108.55 2cbr h ASP 126 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2cbr h ASP 126 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2cbr h ASP 126 CO 0.00 0.19 0.45 -0.69 -1.72 0.00 0.00 179.24 177.47 2cbr s VAL 127 N -3.71 4.06 -0.10 -1.35 1.01 -0.73 -5.05 120.40 114.53 2cbr s VAL 127 Ca 0.00 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.73 2cbr s VAL 127 Cb 0.10 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2cbr s VAL 127 CO 0.62 0.28 -0.13 -0.69 0.00 0.00 0.00 175.10 175.18 2cbr s VAL 128 N -0.08 1.29 -0.16 2.92 1.01 -1.26 -1.29 120.40 122.83 2cbr s VAL 128 Ca 0.49 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2cbr s VAL 128 Cb -0.28 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2cbr s VAL 128 CO 0.33 0.40 -0.05 0.00 0.00 0.00 0.00 175.10 175.78 2cbr s THR 130 N 0.44 2.47 -0.17 0.00 2.01 -0.76 -0.85 115.64 118.78 2cbr s THR 130 Ca -0.04 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2cbr s THR 130 Cb -0.14 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.34 2cbr s THR 130 CO 0.03 0.51 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.17 2cbr s ARG 131 N 1.11 2.71 -0.14 4.92 0.52 0.87 -1.22 118.95 127.71 2cbr s ARG 131 Ca 0.00 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.35 2cbr s ARG 131 Cb -0.14 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 32.89 2cbr s ARG 131 CO -0.06 -0.23 0.30 0.42 0.02 0.00 0.00 175.30 175.75 2cbr s ILE 132 N 1.37 5.29 0.15 1.52 -1.09 0.61 0.21 121.20 129.25 2cbr s ILE 132 Ca 0.05 0.56 0.10 0.00 -2.23 0.00 0.00 60.65 59.13 2cbr s ILE 132 Cb -0.13 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2cbr s ILE 132 CO -0.12 0.43 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.46 2cbr s TYR 133 N 0.18 2.17 0.15 3.97 1.51 0.13 -0.71 117.35 124.74 2cbr s TYR 133 Ca 0.17 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.93 2cbr s TYR 133 Cb -0.13 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 2cbr s TYR 133 CO 0.05 0.36 -0.18 0.08 -1.11 0.00 0.00 175.55 174.75 2cbr s VAL 134 N -1.33 1.74 -0.27 0.71 1.01 -0.70 -0.35 120.40 121.22 2cbr s VAL 134 Ca 0.15 -1.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 2cbr s VAL 134 Cb -0.09 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2cbr s VAL 134 CO 0.07 -0.27 1.57 -0.13 0.00 0.00 0.00 175.10 176.34 2cbr s ARG 135 N -2.60 3.72 0.00 2.72 0.52 -1.26 -1.82 118.95 120.22 2cbr s ARG 135 Ca 0.13 1.48 0.09 0.00 -0.52 0.00 0.00 55.73 56.91 2cbr s ARG 135 Cb -0.06 -4.04 0.54 0.00 0.52 0.00 0.00 34.95 31.91 2cbr s ARG 135 CO 0.06 -1.39 0.99 -1.91 0.02 0.00 0.00 175.30 173.07