#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbr s ASN 2 N 0.00 4.59 0.00 3.54 2.47 -1.26 -4.85 114.94 119.44 1cbr s ASN 2 Ca 0.00 -3.48 0.30 0.00 0.42 0.00 0.00 52.86 50.10 1cbr s ASN 2 Cb 0.00 -1.64 1.50 0.00 -1.45 0.00 0.00 41.25 39.66 1cbr s ASN 2 CO 0.00 -0.15 2.01 0.49 -3.72 0.00 0.00 177.10 175.73 1cbr n PHE 3 N 2.48 0.00 -2.31 0.43 3.01 -1.26 -4.88 117.46 114.93 1cbr n PHE 3 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 1cbr n PHE 3 Cb 0.34 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1cbr n PHE 3 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cbr s ALA 4 N -2.24 3.48 0.00 4.37 0.00 -1.26 -4.68 121.76 121.43 1cbr s ALA 4 Ca 0.37 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1cbr s ALA 4 Cb 0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1cbr s ALA 4 CO 0.41 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1cbr n GLY 5 N 3.11 -0.47 3.61 0.00 0.00 -0.39 -4.99 105.19 106.05 1cbr n GLY 5 Ca 0.09 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1cbr n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cbr s THR 6 N -1.43 4.92 0.16 2.61 -4.23 -1.26 -0.98 115.64 115.43 1cbr s THR 6 Ca 0.00 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.61 1cbr s THR 6 Cb 0.00 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1cbr s THR 6 CO 0.00 0.39 -0.05 0.26 -0.54 0.00 0.00 174.62 174.68 1cbr s TRP 7 N 0.89 2.76 -0.02 3.99 0.52 0.16 -1.97 118.94 125.28 1cbr s TRP 7 Ca 0.05 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.03 1cbr s TRP 7 Cb -0.13 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 1cbr s TRP 7 CO 0.03 0.50 -0.07 -1.59 0.02 0.00 0.00 176.95 175.84 1cbr s LYS 8 N -2.75 0.71 0.46 4.98 -2.85 -0.60 -2.33 119.74 117.37 1cbr s LYS 8 Ca 0.25 -0.24 -0.23 0.00 -1.00 0.00 0.00 55.97 54.75 1cbr s LYS 8 Cb -0.10 -0.69 -0.07 0.00 -2.06 0.00 0.00 37.83 34.91 1cbr s LYS 8 CO 0.16 0.10 1.19 1.41 0.10 0.00 0.00 175.35 178.31 1cbr s MET 9 N 0.12 3.74 -0.17 1.78 -2.45 -1.26 -0.57 119.30 120.48 1cbr s MET 9 Ca -0.01 1.84 -0.04 0.00 -1.25 0.00 0.00 55.69 56.22 1cbr s MET 9 Cb -0.06 -2.43 -0.09 0.00 1.25 0.00 0.00 34.83 33.50 1cbr s MET 9 CO -0.00 -0.59 -0.19 -2.13 1.05 0.00 0.00 175.02 173.16 1cbr n ARG 10 N -0.46 0.39 -4.03 4.11 0.63 0.13 -4.85 116.66 112.57 1cbr n ARG 10 Ca 0.07 0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 57.02 1cbr n ARG 10 Cb 0.47 -1.22 -0.04 0.00 0.45 0.00 0.00 32.46 32.13 1cbr n ARG 10 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1cbr s SER 11 N -6.16 0.39 -0.29 6.15 1.04 -1.21 -5.01 113.70 108.61 1cbr s SER 11 Ca -0.24 -1.23 -0.14 0.00 0.48 0.00 0.00 55.95 54.82 1cbr s SER 11 Cb 0.08 0.63 0.12 0.00 0.10 0.00 0.00 66.02 66.95 1cbr s SER 11 CO 0.34 -1.25 0.78 -0.55 0.98 0.00 0.00 173.24 173.55 1cbr s SER 12 N -3.13 -0.86 -0.07 7.02 0.15 -1.26 -2.19 113.70 113.36 1cbr s SER 12 Ca 0.26 1.28 0.05 0.00 0.70 0.00 0.00 55.95 58.25 1cbr s SER 12 Cb -0.01 1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.94 1cbr s SER 12 CO 0.15 -0.19 -0.24 -0.70 1.20 0.00 0.00 173.24 173.45 1cbr s GLU 13 N 2.03 2.72 -0.99 5.44 2.12 0.69 -4.83 118.70 125.89 1cbr s GLU 13 Ca -0.08 -0.88 -0.05 0.00 0.36 0.00 0.00 54.97 54.32 1cbr s GLU 13 Cb -0.07 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.14 1cbr s GLU 13 CO -0.18 0.29 0.65 0.09 -0.54 0.00 0.00 175.26 175.57 1cbr n ASN 14 N 3.20 -4.89 0.12 -1.70 4.13 -1.26 -1.47 115.26 113.39 1cbr n ASN 14 Ca -0.18 -0.30 -0.24 0.00 1.68 0.00 0.00 54.58 55.54 1cbr n ASN 14 Cb 0.52 -3.59 -0.15 0.00 -1.54 0.00 0.00 39.78 35.02 1cbr n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1cbr h PHE 15 N -1.49 0.90 -0.51 3.10 3.57 -1.92 -2.19 116.94 118.40 1cbr h PHE 15 Ca -0.38 -0.64 -0.10 0.00 3.53 0.00 0.00 57.97 60.38 1cbr h PHE 15 Cb 1.25 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1cbr h PHE 15 CO 0.35 1.50 -0.06 0.22 -2.23 0.00 0.00 178.31 178.09 1cbr h ASP 16 N 0.05 0.93 0.09 0.41 3.58 -1.96 0.33 116.42 119.86 1cbr h ASP 16 Ca -0.22 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 56.84 1cbr h ASP 16 Cb 2.02 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.81 1cbr h ASP 16 CO 0.25 1.05 -0.17 -0.08 -2.88 0.00 0.00 179.24 177.40 1cbr h GLU 17 N 0.80 0.17 0.53 0.28 4.57 -1.98 0.23 114.58 119.19 1cbr h GLU 17 Ca 0.14 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1cbr h GLU 17 Cb 0.60 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1cbr h GLU 17 CO 0.04 0.35 -0.25 1.25 -1.18 0.00 0.00 179.01 179.21 1cbr h LEU 18 N 0.16 -0.60 -1.02 1.64 5.85 -0.75 -1.61 115.31 118.99 1cbr h LEU 18 Ca 0.03 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1cbr h LEU 18 Cb 0.41 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1cbr h LEU 18 CO 0.03 -0.20 0.63 -0.07 -0.34 0.00 0.00 178.44 178.49 1cbr h LEU 19 N -1.13 0.94 -0.77 2.25 3.38 -0.78 0.39 115.31 119.60 1cbr h LEU 19 Ca -0.07 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cbr h LEU 19 Cb 0.59 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1cbr h LEU 19 CO 0.12 0.53 0.47 0.50 0.09 0.00 0.00 178.44 180.14 1cbr h LYS 20 N 1.03 1.04 0.00 1.13 3.64 -0.54 -1.75 116.57 121.12 1cbr h LYS 20 Ca 0.48 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1cbr h LYS 20 Cb 0.42 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1cbr h LYS 20 CO -0.24 0.74 -0.21 0.00 -2.27 0.00 0.00 179.45 177.46 1cbr h ALA 21 N 1.25 1.10 -0.00 5.00 0.00 0.05 -2.58 119.26 124.08 1cbr h ALA 21 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cbr h ALA 21 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cbr h ALA 21 CO -0.05 0.26 -0.11 1.28 0.00 0.00 0.00 179.25 180.64 1cbr n LEU 22 N -3.49 0.53 0.00 0.00 4.77 -0.34 -4.95 117.00 113.52 1cbr n LEU 22 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1cbr n LEU 22 Cb 0.38 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1cbr n LEU 22 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1cbr n GLY 23 N 1.26 0.31 3.76 -0.72 0.00 -0.97 -5.04 105.19 103.79 1cbr n GLY 23 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1cbr n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbr s VAL 24 N -2.06 2.10 0.46 1.61 1.01 -1.03 -5.00 120.40 117.49 1cbr s VAL 24 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1cbr s VAL 24 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1cbr s VAL 24 CO 0.00 0.01 0.77 0.54 0.00 0.00 0.00 175.10 176.41 1cbr s ASN 25 N -0.69 6.30 0.49 3.32 2.20 -1.26 -4.65 114.94 120.65 1cbr s ASN 25 Ca 0.65 0.93 0.27 0.00 -0.94 0.00 0.00 52.86 53.77 1cbr s ASN 25 Cb -0.42 -2.25 1.35 0.00 -2.00 0.00 0.00 41.25 37.93 1cbr s ASN 25 CO 0.53 -0.53 1.86 0.00 -2.94 0.00 0.00 177.10 176.02 1cbr h ALA 26 N 0.42 2.64 -0.36 3.54 0.00 -1.98 -0.38 119.26 123.14 1cbr h ALA 26 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1cbr h ALA 26 Cb 1.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1cbr h ALA 26 CO 0.62 -0.93 0.16 1.98 0.00 0.00 0.00 179.25 181.08 1cbr h MET 27 N 0.14 0.53 0.10 0.00 -1.53 -2.01 -2.93 114.93 109.23 1cbr h MET 27 Ca 0.46 -0.09 -0.27 0.00 -3.44 0.00 0.00 59.70 56.36 1cbr h MET 27 Cb 1.60 -0.09 0.03 0.00 -0.55 0.00 0.00 31.60 32.58 1cbr h MET 27 CO -0.08 0.50 -1.12 -0.07 0.14 0.00 0.00 176.91 176.29 1cbr h LEU 28 N 0.44 0.82 -1.63 3.39 3.38 -1.52 -3.30 115.31 116.89 1cbr h LEU 28 Ca 0.12 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.34 1cbr h LEU 28 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1cbr h LEU 28 CO -0.01 1.55 0.35 0.03 0.09 0.00 0.00 178.44 180.44 1cbr h ARG 29 N 0.19 0.44 -0.03 1.13 3.08 -1.21 0.11 114.38 118.08 1cbr h ARG 29 Ca -0.17 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1cbr h ARG 29 Cb 1.80 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.75 1cbr h ARG 29 CO 0.22 0.29 -0.33 1.57 -1.07 0.00 0.00 179.97 180.64 1cbr h LYS 30 N 0.45 0.06 0.02 0.04 2.10 -1.59 -0.97 116.57 116.68 1cbr h LYS 30 Ca 0.23 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1cbr h LYS 30 Cb 0.32 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1cbr h LYS 30 CO -0.06 0.39 -0.01 0.28 -2.00 0.00 0.00 179.45 178.05 1cbr h VAL 31 N 0.06 1.42 0.04 0.07 2.07 -1.21 -3.06 116.25 115.62 1cbr h VAL 31 Ca 0.01 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1cbr h VAL 31 Cb 0.62 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1cbr h VAL 31 CO 0.05 0.45 -0.11 0.00 0.02 0.00 0.00 177.57 177.98 1cbr h ALA 32 N -0.10 -0.68 -0.59 1.67 0.00 -0.76 -1.51 119.26 117.28 1cbr h ALA 32 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1cbr h ALA 32 Cb 0.76 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1cbr h ALA 32 CO 0.00 -0.71 -0.23 0.28 0.00 0.00 0.00 179.25 178.60 1cbr h VAL 33 N -0.17 0.30 -0.43 0.00 2.07 -1.35 0.77 116.25 117.43 1cbr h VAL 33 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1cbr h VAL 33 Cb 0.17 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1cbr h VAL 33 CO -0.05 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.57 1cbr h ALA 34 N 1.35 0.43 -0.05 1.67 0.00 -1.42 -1.75 119.26 119.49 1cbr h ALA 34 Ca 0.27 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 1cbr h ALA 34 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cbr h ALA 34 CO -0.64 -0.36 -0.70 0.00 0.00 0.00 0.00 179.25 177.54 1cbr h ALA 35 N 1.36 0.70 0.00 0.00 0.00 -0.25 -3.00 119.26 118.07 1cbr h ALA 35 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1cbr h ALA 35 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cbr h ALA 35 CO -0.32 0.79 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1cbr n ALA 36 N -2.48 2.45 0.23 0.00 0.00 0.26 -2.93 120.51 118.03 1cbr n ALA 36 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1cbr n ALA 36 Cb 0.69 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.98 1cbr n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cbr n SER 37 N -0.28 0.25 -3.16 0.00 7.64 -0.76 -4.58 113.62 112.72 1cbr n SER 37 Ca 0.00 -0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.42 1cbr n SER 37 Cb 0.10 1.76 -0.05 0.00 -1.01 0.00 0.00 64.21 65.01 1cbr n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cbr n LYS 38 N -2.08 1.69 -3.12 1.43 5.02 -1.15 -4.98 118.16 114.98 1cbr n LYS 38 Ca -0.02 -3.89 -0.34 0.00 -2.02 0.00 0.00 58.31 52.04 1cbr n LYS 38 Cb 0.51 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1cbr n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1cbr s PRO 39 N -2.41 4.10 -0.07 1.97 0.04 -1.26 -4.78 135.00 132.59 1cbr s PRO 39 Ca 0.41 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1cbr s PRO 39 Cb 0.26 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1cbr s PRO 39 CO -0.09 0.25 -0.11 -1.58 0.04 0.00 0.00 177.00 175.50 1cbr s HIS 40 N -1.81 2.81 -0.05 0.56 2.46 -0.01 -4.34 115.29 114.90 1cbr s HIS 40 Ca 0.50 -0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.91 1cbr s HIS 40 Cb -0.13 -1.69 0.02 0.00 -0.13 0.00 0.00 32.58 30.66 1cbr s HIS 40 CO 0.19 0.20 -0.06 0.08 -2.47 0.00 0.00 174.74 172.67 1cbr s VAL 41 N -0.64 0.70 -0.10 0.89 1.01 -0.98 -0.82 120.40 120.45 1cbr s VAL 41 Ca 0.10 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1cbr s VAL 41 Cb -0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1cbr s VAL 41 CO 0.01 0.27 -0.23 -0.70 0.00 0.00 0.00 175.10 174.45 1cbr s GLU 42 N 0.91 3.07 -0.09 2.72 2.12 -0.67 0.40 118.70 127.17 1cbr s GLU 42 Ca -0.11 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.38 1cbr s GLU 42 Cb -0.15 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 31.93 1cbr s GLU 42 CO 0.01 0.19 -0.13 0.42 -0.54 0.00 0.00 175.26 175.20 1cbr s ILE 43 N 0.33 1.31 -0.12 -3.70 1.01 -0.15 -1.49 121.20 118.38 1cbr s ILE 43 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1cbr s ILE 43 Cb -0.18 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1cbr s ILE 43 CO 0.08 0.40 -0.12 -0.13 0.00 0.00 0.00 174.94 175.17 1cbr s ARG 44 N 0.87 3.26 -0.05 2.79 0.52 -0.24 -1.27 118.95 124.83 1cbr s ARG 44 Ca -0.10 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 1cbr s ARG 44 Cb -0.15 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.73 1cbr s ARG 44 CO 0.01 0.30 0.09 -1.14 0.02 0.00 0.00 175.30 174.57 1cbr s GLN 45 N 0.14 -0.04 -0.66 3.54 0.74 -1.26 -0.72 119.66 121.40 1cbr s GLN 45 Ca -0.06 0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.80 1cbr s GLN 45 Cb -0.15 -0.43 0.16 0.00 1.10 0.00 0.00 33.01 33.70 1cbr s GLN 45 CO 0.05 -0.31 0.45 0.34 -0.55 0.00 0.00 175.29 175.26 1cbr s ASP 46 N 2.14 4.89 0.00 6.67 2.15 0.63 -4.90 116.67 128.25 1cbr s ASP 46 Ca 0.04 -3.38 0.00 0.00 0.43 0.00 0.00 52.55 49.64 1cbr s ASP 46 Cb -0.12 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 1cbr s ASP 46 CO -0.04 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1cbr n GLY 47 N 2.67 1.32 0.00 2.66 0.00 -1.26 -1.60 105.19 108.98 1cbr n GLY 47 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1cbr n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbr n ASP 48 N 2.83 0.24 -4.69 1.61 9.92 -1.26 -4.87 116.55 120.33 1cbr n ASP 48 Ca 0.00 -0.71 -0.38 0.00 -0.53 0.00 0.00 54.79 53.17 1cbr n ASP 48 Cb 0.00 0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.55 1cbr n ASP 48 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1cbr s GLN 49 N -0.13 4.23 0.06 -1.24 -0.21 -0.63 -0.96 119.66 120.78 1cbr s GLN 49 Ca 0.00 0.33 0.07 0.00 0.02 0.00 0.00 55.36 55.77 1cbr s GLN 49 Cb 0.00 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1cbr s GLN 49 CO 0.00 -0.00 -0.18 -0.06 -2.12 0.00 0.00 175.29 172.93 1cbr s PHE 50 N 1.17 1.54 -0.14 0.91 0.40 0.52 -0.27 117.98 122.11 1cbr s PHE 50 Ca 0.22 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1cbr s PHE 50 Cb -0.15 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.54 1cbr s PHE 50 CO 0.09 0.10 -0.00 -0.47 0.70 0.00 0.00 175.22 175.64 1cbr s TYR 51 N -1.00 1.11 -0.25 0.36 5.04 0.10 -1.35 117.35 121.37 1cbr s TYR 51 Ca 0.04 -0.69 0.02 0.00 -2.44 0.00 0.00 57.07 53.99 1cbr s TYR 51 Cb -0.09 -1.04 0.06 0.00 0.35 0.00 0.00 41.96 41.24 1cbr s TYR 51 CO 0.02 -0.52 -0.08 0.42 -1.34 0.00 0.00 175.55 174.06 1cbr s ILE 52 N 1.83 1.88 -0.35 3.14 1.01 0.40 -1.08 121.20 128.03 1cbr s ILE 52 Ca 0.02 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.11 1cbr s ILE 52 Cb -0.15 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1cbr s ILE 52 CO -0.07 -0.08 0.17 -0.75 0.00 0.00 0.00 174.94 174.21 1cbr s LYS 53 N 1.23 2.96 -0.35 2.79 2.47 -0.55 -1.01 119.74 127.28 1cbr s LYS 53 Ca -0.07 -0.98 -0.04 0.00 -1.56 0.00 0.00 55.97 53.32 1cbr s LYS 53 Cb -0.19 -3.62 0.06 0.00 -1.46 0.00 0.00 37.83 32.62 1cbr s LYS 53 CO -0.06 -0.60 0.11 0.99 0.16 0.00 0.00 175.35 175.96 1cbr s THR 54 N 1.55 3.47 -0.14 3.43 2.01 0.89 -1.66 115.64 125.17 1cbr s THR 54 Ca 0.02 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 60.51 1cbr s THR 54 Cb -0.18 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1cbr s THR 54 CO 0.06 -0.32 0.02 -0.55 -0.69 0.00 0.00 174.62 173.13 1cbr s SER 55 N 1.55 5.28 0.18 3.53 0.15 -0.00 -1.00 113.70 123.39 1cbr s SER 55 Ca 0.00 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 1cbr s SER 55 Cb -0.21 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1cbr s SER 55 CO -0.00 0.25 0.18 0.42 1.20 0.00 0.00 173.24 175.29 1cbr s THR 56 N -0.12 0.03 0.15 6.45 -4.23 -0.97 -0.83 115.64 116.12 1cbr s THR 56 Ca 0.05 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 58.56 1cbr s THR 56 Cb -0.12 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.46 1cbr s THR 56 CO 0.02 -0.15 1.74 0.74 -0.54 0.00 0.00 174.62 176.43 1cbr h THR 57 N 2.62 0.87 -0.02 3.99 2.02 -1.87 -3.01 112.91 117.51 1cbr h THR 57 Ca -0.34 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1cbr h THR 57 Cb 1.23 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1cbr h THR 57 CO 0.52 0.04 -0.03 1.33 0.37 0.00 0.00 175.52 177.74 1cbr n VAL 58 N -5.06 0.00 -3.61 3.16 0.24 -1.26 -4.91 118.33 106.89 1cbr n VAL 58 Ca 0.01 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.34 61.97 1cbr n VAL 58 Cb 0.13 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.31 1cbr n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cbr s ARG 59 N -2.05 0.31 -0.04 7.34 3.52 -1.14 -5.16 118.95 121.74 1cbr s ARG 59 Ca 0.33 0.56 0.05 0.00 -0.13 0.00 0.00 55.73 56.55 1cbr s ARG 59 Cb 0.20 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 1cbr s ARG 59 CO 0.34 -0.07 -0.20 0.99 -0.81 0.00 0.00 175.30 175.55 1cbr s THR 60 N 1.42 1.64 0.09 4.11 2.01 -1.26 -2.30 115.64 121.35 1cbr s THR 60 Ca -0.08 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1cbr s THR 60 Cb -0.04 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1cbr s THR 60 CO -0.14 0.47 -0.15 0.42 -0.69 0.00 0.00 174.62 174.52 1cbr s THR 61 N -0.12 1.30 -0.06 -0.82 -4.23 -0.17 -4.99 115.64 106.55 1cbr s THR 61 Ca -0.02 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1cbr s THR 61 Cb -0.11 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.45 1cbr s THR 61 CO 0.02 -0.25 0.01 -1.61 -0.54 0.00 0.00 174.62 172.25 1cbr s GLU 62 N -2.05 0.44 0.12 3.99 2.02 -1.26 -0.08 118.70 121.88 1cbr s GLU 62 Ca 0.03 0.15 0.10 0.00 0.02 0.00 0.00 54.97 55.27 1cbr s GLU 62 Cb -0.08 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 1cbr s GLU 62 CO 0.03 -0.28 -0.25 0.96 0.02 0.00 0.00 175.26 175.74 1cbr s ILE 63 N 1.84 2.12 -0.10 -1.63 -4.36 -0.18 -4.98 121.20 113.92 1cbr s ILE 63 Ca 0.02 -1.70 -0.02 0.00 -0.26 0.00 0.00 60.65 58.69 1cbr s ILE 63 Cb -0.12 -1.88 0.04 0.00 1.25 0.00 0.00 42.46 41.74 1cbr s ILE 63 CO -0.04 0.06 0.04 0.20 0.24 0.00 0.00 174.94 175.44 1cbr s ASN 64 N -2.01 1.75 0.07 4.36 0.01 -1.26 -0.45 114.94 117.42 1cbr s ASN 64 Ca 0.12 -0.22 -0.08 0.00 -0.71 0.00 0.00 52.86 51.97 1cbr s ASN 64 Cb -0.10 -0.32 -0.00 0.00 0.41 0.00 0.00 41.25 41.23 1cbr s ASN 64 CO 0.05 -0.26 0.17 0.72 -1.51 0.00 0.00 177.10 176.27 1cbr s PHE 65 N 2.06 0.17 -0.19 2.20 -0.71 -0.45 -5.00 117.98 116.06 1cbr s PHE 65 Ca 0.04 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.34 1cbr s PHE 65 Cb -0.13 -0.09 -0.00 0.00 -1.21 0.00 0.00 43.02 41.59 1cbr s PHE 65 CO -0.06 -0.50 -0.11 0.21 -1.34 0.00 0.00 175.22 173.43 1cbr s LYS 66 N -3.59 3.26 0.01 1.99 2.20 -1.26 -0.35 119.74 122.00 1cbr s LYS 66 Ca 0.03 -0.70 -0.35 0.00 -0.36 0.00 0.00 55.97 54.59 1cbr s LYS 66 Cb 0.04 -2.80 -0.14 0.00 -1.51 0.00 0.00 37.83 33.42 1cbr s LYS 66 CO -0.09 -0.13 1.67 0.28 -0.36 0.00 0.00 175.35 176.72 1cbr n VAL 67 N 4.51 0.24 0.00 4.02 0.31 -0.14 -0.85 118.33 126.43 1cbr n VAL 67 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1cbr n VAL 67 Cb 0.51 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1cbr n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cbr n GLY 68 N 3.72 2.24 3.48 2.92 0.00 0.14 -4.97 105.19 112.71 1cbr n GLY 68 Ca 0.20 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1cbr n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cbr s GLU 69 N 0.00 3.29 0.97 1.61 2.02 -0.03 -4.85 118.70 121.71 1cbr s GLU 69 Ca 0.00 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.08 1cbr s GLU 69 Cb 0.00 -3.77 0.04 0.00 0.10 0.00 0.00 34.13 30.51 1cbr s GLU 69 CO 0.00 -0.52 0.33 0.41 0.02 0.00 0.00 175.26 175.50 1cbr n GLY 70 N 5.07 -2.12 3.68 -1.39 0.00 -1.26 -4.30 105.19 104.86 1cbr n GLY 70 Ca -0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1cbr n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cbr s PHE 71 N -2.37 0.25 -0.19 1.61 -0.71 0.01 -4.95 117.98 111.64 1cbr s PHE 71 Ca 0.56 -0.66 -0.03 0.00 -1.04 0.00 0.00 56.93 55.76 1cbr s PHE 71 Cb -0.20 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 1cbr s PHE 71 CO 0.68 -1.14 -0.05 -1.21 -1.34 0.00 0.00 175.22 172.16 1cbr s GLU 72 N -3.70 3.48 0.03 1.99 2.02 -1.26 -0.16 118.70 121.10 1cbr s GLU 72 Ca 0.19 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1cbr s GLU 72 Cb -0.03 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 1cbr s GLU 72 CO 0.10 -0.00 0.03 -0.85 0.02 0.00 0.00 175.26 174.55 1cbr n GLU 73 N 4.24 0.04 -5.00 1.61 0.28 -0.66 -4.99 120.64 116.16 1cbr n GLU 73 Ca -0.18 -0.23 -0.32 0.00 -0.16 0.00 0.00 57.16 56.27 1cbr n GLU 73 Cb 0.52 0.21 -0.14 0.00 1.43 0.00 0.00 31.44 33.46 1cbr n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cbr s GLU 74 N -2.08 2.37 0.68 3.44 2.02 -1.26 -1.47 118.70 122.39 1cbr s GLU 74 Ca 0.03 -0.78 -0.15 0.00 0.02 0.00 0.00 54.97 54.09 1cbr s GLU 74 Cb 0.00 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1cbr s GLU 74 CO 0.02 0.60 1.15 0.95 0.02 0.00 0.00 175.26 178.00 1cbr s THR 75 N -0.71 2.89 0.35 3.63 -4.23 -1.03 -4.83 115.64 111.72 1cbr s THR 75 Ca 0.11 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.21 1cbr s THR 75 Cb -0.10 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.13 1cbr s THR 75 CO 0.00 -0.24 1.58 0.58 -0.54 0.00 0.00 174.62 176.00 1cbr h VAL 76 N 0.01 0.01 -0.37 2.29 2.07 -1.98 0.47 116.25 118.75 1cbr h VAL 76 Ca -0.47 -0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.84 1cbr h VAL 76 Cb 1.27 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 1cbr h VAL 76 CO 0.53 0.00 0.25 -0.90 0.02 0.00 0.00 177.57 177.47 1cbr n ASP 77 N -5.32 3.53 -1.37 0.57 5.75 -1.26 -4.88 116.55 113.56 1cbr n ASP 77 Ca 0.34 -2.63 -0.15 0.00 -0.01 0.00 0.00 54.79 52.34 1cbr n ASP 77 Cb 1.13 -0.66 -0.04 0.00 -1.03 0.00 0.00 41.12 40.52 1cbr n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbr n GLY 78 N -0.05 0.76 3.32 6.12 0.00 0.17 -5.04 105.19 110.46 1cbr n GLY 78 Ca 0.22 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1cbr n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbr n ARG 79 N -2.51 -0.60 -4.71 1.61 1.74 -1.19 -4.83 116.66 106.18 1cbr n ARG 79 Ca -0.16 -2.03 -0.33 0.00 -0.77 0.00 0.00 57.85 54.56 1cbr n ARG 79 Cb 0.55 -0.89 -0.13 0.00 -1.02 0.00 0.00 32.46 30.97 1cbr n ARG 79 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1cbr s LYS 80 N -5.13 3.23 0.19 5.56 3.01 -1.26 -2.47 119.74 122.87 1cbr s LYS 80 Ca 0.61 -0.64 -0.13 0.00 -1.01 0.00 0.00 55.97 54.80 1cbr s LYS 80 Cb -0.02 -2.64 0.01 0.00 -1.01 0.00 0.00 37.83 34.16 1cbr s LYS 80 CO 0.42 0.34 0.41 0.00 0.51 0.00 0.00 175.35 177.03 1cbr s ARG 82 N -3.94 3.18 0.12 0.00 3.52 -0.26 -1.66 118.95 119.91 1cbr s ARG 82 Ca 0.15 -0.75 0.09 0.00 -0.13 0.00 0.00 55.73 55.09 1cbr s ARG 82 Cb 0.01 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1cbr s ARG 82 CO 0.01 -0.09 -0.17 -1.54 -0.81 0.00 0.00 175.30 172.70 1cbr s SER 83 N 1.09 3.97 -0.34 -2.12 1.04 0.77 -2.28 113.70 115.83 1cbr s SER 83 Ca -0.00 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1cbr s SER 83 Cb -0.14 -0.59 0.10 0.00 0.10 0.00 0.00 66.02 65.49 1cbr s SER 83 CO -0.04 0.17 0.06 -0.22 0.98 0.00 0.00 173.24 174.19 1cbr s LEU 84 N -2.20 4.40 0.18 2.42 2.96 -0.29 -0.81 118.68 125.34 1cbr s LEU 84 Ca 0.19 -2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 51.68 1cbr s LEU 84 Cb -0.10 -1.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 1cbr s LEU 84 CO 0.11 -0.38 1.05 -2.16 -1.32 0.00 0.00 176.35 173.65 1cbr s PRO 85 N 0.96 4.66 -0.02 0.98 0.04 -1.26 -3.01 135.00 137.35 1cbr s PRO 85 Ca 0.11 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1cbr s PRO 85 Cb -0.19 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1cbr s PRO 85 CO -0.10 0.18 0.09 0.95 0.04 0.00 0.00 177.00 178.16 1cbr s THR 86 N -0.42 0.03 -0.19 1.26 -4.23 0.14 0.25 115.64 112.48 1cbr s THR 86 Ca 0.47 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1cbr s THR 86 Cb -0.28 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 1cbr s THR 86 CO 0.34 -0.16 1.41 0.26 -0.54 0.00 0.00 174.62 175.93 1cbr s TRP 87 N -0.48 2.52 0.00 3.99 0.52 -1.26 -0.44 118.94 123.79 1cbr s TRP 87 Ca -0.06 0.75 -0.03 0.00 0.02 0.00 0.00 56.10 56.79 1cbr s TRP 87 Cb -0.04 -3.76 -0.27 0.00 -1.15 0.00 0.00 33.47 28.25 1cbr s TRP 87 CO 0.00 -2.30 0.86 1.49 0.02 0.00 0.00 176.95 177.02 1cbr h GLU 88 N 9.18 0.24 0.00 4.98 4.81 -0.86 -3.47 114.58 129.45 1cbr h GLU 88 Ca -0.30 -0.41 -0.33 0.00 -0.13 0.00 0.00 59.36 58.19 1cbr h GLU 88 Cb 1.12 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.57 1cbr h GLU 88 CO 0.99 1.10 -0.27 0.09 -0.73 0.00 0.00 179.01 180.19 1cbr n ASN 89 N -3.44 -0.91 -0.33 1.04 3.02 -1.07 -5.00 115.26 108.56 1cbr n ASN 89 Ca -0.16 -2.79 0.07 0.00 -0.03 0.00 0.00 54.58 51.67 1cbr n ASN 89 Cb 1.04 1.86 0.26 0.00 -0.61 0.00 0.00 39.78 42.33 1cbr n ASN 89 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1cbr h GLU 90 N 0.00 0.94 -0.69 3.52 4.81 -2.02 -3.08 114.58 118.07 1cbr h GLU 90 Ca -0.22 -0.06 -0.42 0.00 -0.13 0.00 0.00 59.36 58.53 1cbr h GLU 90 Cb 1.04 -0.21 -0.42 0.00 0.63 0.00 0.00 28.75 29.80 1cbr h GLU 90 CO 0.31 0.62 -0.95 0.27 -0.73 0.00 0.00 179.01 178.53 1cbr n ASN 91 N -4.56 3.46 -3.68 1.04 2.04 -1.26 -4.33 115.26 107.97 1cbr n ASN 91 Ca 0.17 -3.04 -0.11 0.00 -0.44 0.00 0.00 54.58 51.16 1cbr n ASN 91 Cb 0.32 -0.41 -0.11 0.00 -2.53 0.00 0.00 39.78 37.04 1cbr n ASN 91 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 1cbr s LYS 92 N -3.65 0.28 -0.17 -3.83 2.20 -1.16 -1.39 119.74 112.02 1cbr s LYS 92 Ca 0.40 0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 56.77 1cbr s LYS 92 Cb 0.38 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1cbr s LYS 92 CO -0.01 -0.22 0.05 0.42 -0.36 0.00 0.00 175.35 175.23 1cbr s ILE 93 N 2.03 4.65 -0.15 5.43 1.01 -0.08 -0.13 121.20 133.96 1cbr s ILE 93 Ca -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1cbr s ILE 93 Cb -0.11 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1cbr s ILE 93 CO -0.11 0.49 -0.10 -2.28 0.00 0.00 0.00 174.94 172.94 1cbr s HIS 94 N 0.17 2.88 -0.22 3.97 5.65 0.42 -2.31 115.29 125.85 1cbr s HIS 94 Ca 0.04 -0.64 0.01 0.00 0.25 0.00 0.00 55.06 54.72 1cbr s HIS 94 Cb -0.12 -1.91 0.05 0.00 -1.18 0.00 0.00 32.58 29.41 1cbr s HIS 94 CO 0.01 -0.24 -0.09 0.00 -0.65 0.00 0.00 174.74 173.76 1cbr s THR 96 N 1.34 4.42 -0.02 0.00 2.01 -1.16 -1.56 115.64 120.66 1cbr s THR 96 Ca -0.04 1.70 0.05 0.00 0.31 0.00 0.00 61.69 63.71 1cbr s THR 96 Cb -0.18 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1cbr s THR 96 CO -0.07 0.50 -0.18 -1.10 -0.69 0.00 0.00 174.62 173.08 1cbr s GLN 97 N -0.99 1.57 -0.06 4.92 -0.21 -1.07 -1.14 119.66 122.69 1cbr s GLN 97 Ca 0.36 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 55.10 1cbr s GLN 97 Cb -0.23 -1.48 0.02 0.00 1.00 0.00 0.00 33.01 32.32 1cbr s GLN 97 CO 0.26 0.37 -0.09 0.95 -2.12 0.00 0.00 175.29 174.65 1cbr s THR 98 N -0.34 0.94 0.23 -0.19 -4.23 -0.97 -4.28 115.64 106.81 1cbr s THR 98 Ca 0.05 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1cbr s THR 98 Cb -0.08 -0.90 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 1cbr s THR 98 CO -0.00 0.32 1.21 -0.76 -0.54 0.00 0.00 174.62 174.85 1cbr s LEU 99 N 0.85 4.46 0.00 4.79 1.43 -1.26 -1.10 118.68 127.86 1cbr s LEU 99 Ca -0.11 2.34 0.27 0.00 -1.03 0.00 0.00 54.13 55.59 1cbr s LEU 99 Cb -0.15 -3.62 0.79 0.00 0.03 0.00 0.00 46.19 43.24 1cbr s LEU 99 CO 0.01 -0.38 1.61 0.18 0.23 0.00 0.00 176.35 178.01 1cbr n LEU 100 N 2.03 0.38 -3.42 1.79 4.77 -0.62 -4.35 117.00 117.57 1cbr n LEU 100 Ca 0.03 0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.77 1cbr n LEU 100 Cb 0.44 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1cbr n LEU 100 CO 0.56 0.09 1.11 -0.62 -1.33 0.00 0.00 177.39 177.20 1cbr n GLU 101 N -1.42 4.77 0.00 3.23 1.02 -1.26 -5.04 120.64 121.94 1cbr n GLU 101 Ca 0.07 -4.67 0.00 0.00 -0.02 0.00 0.00 57.16 52.54 1cbr n GLU 101 Cb 0.33 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1cbr n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cbr n GLY 102 N -0.13 0.60 3.83 0.62 0.00 -1.26 -4.82 105.19 104.02 1cbr n GLY 102 Ca 0.43 0.60 -0.33 0.00 0.00 0.00 0.00 46.02 46.72 1cbr n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cbr s ASP 103 N -4.00 6.93 0.00 1.61 1.01 -1.26 -4.92 116.67 116.04 1cbr s ASP 103 Ca 0.00 1.57 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1cbr s ASP 103 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1cbr s ASP 103 CO 0.00 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1cbr n GLY 104 N -0.39 -1.85 3.82 0.21 0.00 -1.26 -5.05 105.19 100.68 1cbr n GLY 104 Ca 0.05 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1cbr n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cbr s PRO 105 N -1.70 3.14 -0.44 1.61 0.05 -1.26 -5.03 135.00 131.37 1cbr s PRO 105 Ca 0.00 -0.50 -0.26 0.00 0.05 0.00 0.00 61.00 60.28 1cbr s PRO 105 Cb 0.00 -2.90 -0.07 0.00 0.05 0.00 0.00 34.50 31.59 1cbr s PRO 105 CO 0.00 0.62 2.39 1.63 0.05 0.00 0.00 177.00 181.69 1cbr n LYS 106 N 0.80 1.20 -4.00 4.56 5.02 -1.26 -4.89 118.16 119.59 1cbr n LYS 106 Ca -0.10 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 1cbr n LYS 106 Cb 0.52 -3.40 -0.03 0.00 -0.02 0.00 0.00 35.03 32.10 1cbr n LYS 106 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cbr s THR 107 N 11.53 5.04 0.33 -0.18 -4.23 -1.26 -3.01 115.64 123.85 1cbr s THR 107 Ca 0.99 -0.91 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 1cbr s THR 107 Cb -0.21 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.03 1cbr s THR 107 CO 0.28 -0.17 0.76 -0.72 -0.54 0.00 0.00 174.62 174.23 1cbr s TYR 108 N -1.83 -0.05 -0.06 3.99 1.13 -1.16 -2.58 117.35 116.79 1cbr s TYR 108 Ca 0.33 -0.51 -0.22 0.00 -1.41 0.00 0.00 57.07 55.27 1cbr s TYR 108 Cb -0.10 0.77 0.05 0.00 -1.10 0.00 0.00 41.96 41.57 1cbr s TYR 108 CO 0.27 -1.38 0.49 1.67 -2.51 0.00 0.00 175.55 174.09 1cbr s TRP 109 N -3.18 -0.43 -0.22 -3.49 1.48 -0.60 -2.08 118.94 110.42 1cbr s TRP 109 Ca 0.13 0.79 -0.03 0.00 -1.06 0.00 0.00 56.10 55.93 1cbr s TRP 109 Cb -0.06 0.24 0.10 0.00 -1.16 0.00 0.00 33.47 32.60 1cbr s TRP 109 CO 0.09 -0.46 0.24 0.95 -4.06 0.00 0.00 176.95 173.71 1cbr s THR 110 N -1.01 -0.35 -0.06 0.66 -4.23 -0.60 -0.23 115.64 109.83 1cbr s THR 110 Ca -0.10 -0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.02 1cbr s THR 110 Cb -0.03 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 73.01 1cbr s THR 110 CO 0.06 -0.27 0.49 -0.13 -0.54 0.00 0.00 174.62 174.23 1cbr s ARG 111 N 2.34 4.23 -0.04 3.99 0.52 -0.98 -2.46 118.95 126.54 1cbr s ARG 111 Ca 0.08 0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1cbr s ARG 111 Cb -0.15 -3.36 0.03 0.00 0.52 0.00 0.00 34.95 31.99 1cbr s ARG 111 CO -0.17 0.35 0.10 -2.00 0.02 0.00 0.00 175.30 173.60 1cbr s GLU 112 N -0.03 0.05 -0.51 3.54 2.12 -0.99 -0.90 118.70 121.98 1cbr s GLU 112 Ca 0.27 0.26 -0.22 0.00 0.36 0.00 0.00 54.97 55.63 1cbr s GLU 112 Cb -0.16 -0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.12 1cbr s GLU 112 CO 0.13 -0.13 0.76 -1.17 -0.54 0.00 0.00 175.26 174.31 1cbr s LEU 113 N 0.88 4.50 -0.10 2.70 2.96 -0.48 -1.12 118.68 128.01 1cbr s LEU 113 Ca -0.07 -0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 53.05 1cbr s LEU 113 Cb -0.09 -2.68 -0.21 0.00 0.50 0.00 0.00 46.19 43.70 1cbr s LEU 113 CO -0.04 -1.01 0.82 0.00 -1.32 0.00 0.00 176.35 174.80 1cbr h ALA 114 N 9.10 -0.03 0.00 5.97 0.00 -1.15 -3.46 119.26 129.69 1cbr h ALA 114 Ca -0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1cbr h ALA 114 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1cbr h ALA 114 CO 1.00 -0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.43 1cbr n ASN 115 N -4.71 0.00 -0.84 0.00 0.23 -1.26 -4.86 115.26 103.81 1cbr n ASN 115 Ca -0.09 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.85 1cbr n ASN 115 Cb 0.37 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1cbr n ASN 115 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cbr n ASP 116 N 0.00 -4.95 -4.19 0.53 8.00 -1.26 -4.96 116.55 109.71 1cbr n ASP 116 Ca 0.00 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.58 1cbr n ASP 116 Cb 0.00 -3.42 -0.12 0.00 -0.02 0.00 0.00 41.12 37.56 1cbr n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1cbr s GLU 117 N -2.78 0.88 -0.49 -1.24 2.02 -1.26 -4.16 118.70 111.68 1cbr s GLU 117 Ca 0.00 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1cbr s GLU 117 Cb 0.00 -0.94 0.13 0.00 0.10 0.00 0.00 34.13 33.43 1cbr s GLU 117 CO 0.00 0.21 0.25 -1.17 0.02 0.00 0.00 175.26 174.57 1cbr s LEU 118 N -1.72 3.71 -0.56 1.80 2.96 -1.00 -0.56 118.68 123.32 1cbr s LEU 118 Ca -0.00 -2.87 -0.28 0.00 -0.22 0.00 0.00 54.13 50.76 1cbr s LEU 118 Cb -0.10 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.18 1cbr s LEU 118 CO 0.03 -0.24 1.55 -0.63 -1.32 0.00 0.00 176.35 175.73 1cbr s ILE 119 N -0.05 3.65 -0.10 6.68 -1.09 -0.27 -1.97 121.20 128.04 1cbr s ILE 119 Ca 0.17 0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 58.99 1cbr s ILE 119 Cb -0.25 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 1cbr s ILE 119 CO 0.00 -1.07 0.30 -0.22 -1.23 0.00 0.00 174.94 172.72 1cbr s LEU 120 N 6.82 4.34 -0.02 2.97 2.96 0.61 -2.33 118.68 134.03 1cbr s LEU 120 Ca 0.58 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 55.18 1cbr s LEU 120 Cb -0.12 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 1cbr s LEU 120 CO 0.24 0.23 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.44 1cbr s THR 121 N -0.31 1.39 -0.09 3.68 2.01 -1.03 -0.80 115.64 120.48 1cbr s THR 121 Ca 0.18 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1cbr s THR 121 Cb -0.14 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1cbr s THR 121 CO 0.07 0.39 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 1cbr s PHE 122 N -0.34 1.66 0.26 4.92 0.08 -0.34 -1.56 117.98 122.66 1cbr s PHE 122 Ca 0.05 -0.74 0.10 0.00 0.12 0.00 0.00 56.93 56.46 1cbr s PHE 122 Cb -0.07 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1cbr s PHE 122 CO -0.00 -0.41 -0.04 0.20 -0.10 0.00 0.00 175.22 174.87 1cbr s GLY 123 N 1.05 1.69 -0.41 4.36 0.00 -0.88 -1.10 107.32 112.02 1cbr s GLY 123 Ca -0.07 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.01 1cbr s GLY 123 CO -0.01 -1.72 1.02 0.00 0.00 0.00 0.00 173.10 172.39 1cbr n ALA 124 N -0.75 -2.65 -2.32 3.20 0.00 -0.72 -2.99 120.51 114.27 1cbr n ALA 124 Ca -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.63 1cbr n ALA 124 Cb 0.59 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1cbr n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cbr n ASP 125 N 2.00 -1.63 0.00 0.00 8.00 -1.16 -4.01 116.55 119.75 1cbr n ASP 125 Ca 0.09 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.71 1cbr n ASP 125 Cb 0.65 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1cbr n ASP 125 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cbr n ASP 126 N 1.37 0.00 -4.68 -2.24 8.00 -1.26 -4.83 116.55 112.91 1cbr n ASP 126 Ca -0.30 0.00 -0.58 0.00 0.71 0.00 0.00 54.79 54.62 1cbr n ASP 126 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1cbr n ASP 126 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1cbr n VAL 127 N 0.00 0.17 -4.46 2.53 0.31 -1.26 -4.98 118.33 110.64 1cbr n VAL 127 Ca 0.00 -0.03 -0.27 0.00 -0.01 0.00 0.00 64.34 64.03 1cbr n VAL 127 Cb 0.00 -0.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.84 1cbr n VAL 127 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1cbr s VAL 128 N 2.54 1.36 -0.19 2.52 1.01 -1.26 -1.76 120.40 124.62 1cbr s VAL 128 Ca 0.96 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1cbr s VAL 128 Cb -1.14 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1cbr s VAL 128 CO 0.64 0.41 -0.14 0.00 0.00 0.00 0.00 175.10 176.01 1cbr s THR 130 N 1.25 3.53 -0.09 0.00 2.01 -0.54 -1.20 115.64 120.61 1cbr s THR 130 Ca 0.03 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1cbr s THR 130 Cb -0.14 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1cbr s THR 130 CO -0.07 0.50 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.07 1cbr s ARG 131 N 0.45 2.16 -0.20 4.92 0.52 0.02 -0.23 118.95 126.60 1cbr s ARG 131 Ca -0.06 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.54 1cbr s ARG 131 Cb -0.15 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1cbr s ARG 131 CO 0.04 0.03 0.01 0.42 0.02 0.00 0.00 175.30 175.81 1cbr s ILE 132 N 0.71 4.03 0.39 1.52 1.01 -0.93 -0.28 121.20 127.64 1cbr s ILE 132 Ca -0.13 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1cbr s ILE 132 Cb -0.16 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1cbr s ILE 132 CO 0.03 0.43 0.49 -0.31 0.00 0.00 0.00 174.94 175.57 1cbr s TYR 133 N 0.98 2.89 -0.16 3.97 1.51 -0.83 0.17 117.35 125.89 1cbr s TYR 133 Ca 0.02 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 1cbr s TYR 133 Cb -0.14 -2.19 0.05 0.00 -0.11 0.00 0.00 41.96 39.57 1cbr s TYR 133 CO 0.02 -0.20 0.40 0.08 -1.11 0.00 0.00 175.55 174.74 1cbr s VAL 134 N -2.31 -0.01 0.07 0.71 1.01 0.26 -2.37 120.40 117.76 1cbr s VAL 134 Ca 0.50 0.05 -0.35 0.00 0.00 0.00 0.00 61.98 62.18 1cbr s VAL 134 Cb -0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 36.38 35.58 1cbr s VAL 134 CO 0.31 0.02 1.61 0.54 0.00 0.00 0.00 175.10 177.58 1cbr n ARG 135 N 3.58 1.92 0.00 2.72 1.74 -1.26 -1.55 116.66 123.82 1cbr n ARG 135 Ca -0.18 0.70 0.06 0.00 -0.77 0.00 0.00 57.85 57.65 1cbr n ARG 135 Cb 0.56 -2.45 0.33 0.00 -1.02 0.00 0.00 32.46 29.87 1cbr n ARG 135 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20