#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blr n ASN 2 N 0.00 0.00 0.00 3.54 4.13 -1.26 -4.46 115.26 117.21 1blr n ASN 2 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1blr n ASN 2 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1blr n ASN 2 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1blr n PHE 3 N 10.38 0.00 -1.69 3.10 3.01 -1.26 -4.97 117.46 126.04 1blr n PHE 3 Ca 0.00 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.92 1blr n PHE 3 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1blr n PHE 3 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1blr n SER 4 N 2.58 2.65 0.00 4.37 3.41 -1.26 -4.71 113.62 120.66 1blr n SER 4 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1blr n SER 4 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1blr n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1blr n GLY 5 N 4.05 4.36 3.80 5.00 0.00 -0.95 -5.01 105.19 116.43 1blr n GLY 5 Ca 0.24 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1blr n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1blr s ASN 6 N 0.00 6.77 -0.04 1.61 2.47 -1.26 -2.11 114.94 122.38 1blr s ASN 6 Ca 0.00 1.87 0.04 0.00 0.42 0.00 0.00 52.86 55.19 1blr s ASN 6 Cb 0.00 -2.56 -0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1blr s ASN 6 CO 0.00 -0.48 -0.16 0.26 -3.72 0.00 0.00 177.10 173.00 1blr s TRP 7 N -1.91 1.61 -0.11 0.43 0.52 -0.98 -2.16 118.94 116.35 1blr s TRP 7 Ca 0.61 -0.46 -0.08 0.00 0.02 0.00 0.00 56.10 56.18 1blr s TRP 7 Cb -0.16 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1blr s TRP 7 CO 0.20 -0.16 0.18 0.15 0.02 0.00 0.00 176.95 177.34 1blr s LYS 8 N 0.08 3.58 0.67 4.98 -0.14 -0.72 -3.08 119.74 125.11 1blr s LYS 8 Ca -0.04 -0.06 -0.17 0.00 -1.36 0.00 0.00 55.97 54.34 1blr s LYS 8 Cb -0.11 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.82 1blr s LYS 8 CO 0.02 0.72 1.28 -1.50 -0.76 0.00 0.00 175.35 175.11 1blr s ILE 9 N -0.90 2.07 -0.30 2.17 -1.16 -1.26 -2.55 121.20 119.26 1blr s ILE 9 Ca 0.16 0.04 -0.09 0.00 -0.51 0.00 0.00 60.65 60.25 1blr s ILE 9 Cb -0.13 -2.94 0.15 0.00 0.61 0.00 0.00 42.46 40.15 1blr s ILE 9 CO 0.05 -0.01 0.69 -0.63 -2.81 0.00 0.00 174.94 172.23 1blr s ILE 10 N -1.50 -0.92 -0.55 2.00 1.09 0.12 -4.84 121.20 116.60 1blr s ILE 10 Ca 0.81 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 60.34 1blr s ILE 10 Cb -0.36 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 1blr s ILE 10 CO 0.41 0.00 0.55 0.54 -0.10 0.00 0.00 174.94 176.33 1blr n ARG 11 N 5.39 -1.21 -3.99 2.79 3.00 -1.26 -0.13 116.66 121.25 1blr n ARG 11 Ca -0.09 1.39 -0.31 0.00 -0.01 0.00 0.00 57.85 58.83 1blr n ARG 11 Cb 0.50 -4.91 -0.15 0.00 0.00 0.00 0.00 32.46 27.90 1blr n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1blr s SER 12 N -2.71 4.69 -0.39 0.55 0.15 -1.26 -2.83 113.70 111.89 1blr s SER 12 Ca 0.03 -2.10 0.10 0.00 0.70 0.00 0.00 55.95 54.68 1blr s SER 12 Cb -0.01 -1.55 0.31 0.00 -1.71 0.00 0.00 66.02 63.06 1blr s SER 12 CO 0.60 -0.38 0.71 1.21 1.20 0.00 0.00 173.24 176.58 1blr n GLU 13 N 4.32 0.88 0.00 5.44 2.13 -1.26 -4.89 120.64 127.26 1blr n GLU 13 Ca 0.03 -3.09 0.00 0.00 0.66 0.00 0.00 57.16 54.76 1blr n GLU 13 Cb 0.42 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1blr n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1blr n ASN 14 N 0.72 1.91 -0.18 4.31 3.02 -1.26 -4.77 115.26 119.01 1blr n ASN 14 Ca 0.21 -0.15 -0.05 0.00 -0.03 0.00 0.00 54.58 54.57 1blr n ASN 14 Cb 0.62 0.67 0.02 0.00 -0.61 0.00 0.00 39.78 40.48 1blr n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1blr h PHE 15 N 0.00 -0.75 -0.32 3.10 3.57 -1.86 0.24 116.94 120.92 1blr h PHE 15 Ca 0.00 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1blr h PHE 15 Cb 0.00 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1blr h PHE 15 CO 0.00 -0.35 -0.24 1.05 -2.23 0.00 0.00 178.31 176.54 1blr h GLU 16 N -0.14 0.63 -0.02 1.11 4.11 -1.88 -1.34 114.58 117.04 1blr h GLU 16 Ca 0.23 -0.25 0.01 0.00 0.07 0.00 0.00 59.36 59.42 1blr h GLU 16 Cb 0.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1blr h GLU 16 CO -0.63 0.81 0.04 1.49 0.07 0.00 0.00 179.01 180.80 1blr h GLU 17 N 0.55 0.00 -0.03 1.06 4.81 -1.31 0.31 114.58 119.97 1blr h GLU 17 Ca 0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1blr h GLU 17 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1blr h GLU 17 CO 0.05 0.00 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.13 1blr h LEU 18 N 0.00 0.17 0.00 1.64 3.38 0.00 -1.92 115.31 118.59 1blr h LEU 18 Ca 0.01 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1blr h LEU 18 Cb 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1blr h LEU 18 CO -0.00 0.79 0.00 0.18 0.09 0.00 0.00 178.44 179.50 1blr n LEU 19 N -4.63 0.00 0.02 1.67 7.99 -0.68 -1.87 117.00 119.51 1blr n LEU 19 Ca -0.09 0.34 0.04 0.00 -0.01 0.00 0.00 56.01 56.30 1blr n LEU 19 Cb 0.40 -0.34 -0.09 0.00 -0.11 0.00 0.00 43.42 43.27 1blr n LEU 19 CO 0.37 -0.01 -0.44 0.29 -1.51 0.00 0.00 177.39 176.09 1blr n LYS 20 N -1.34 0.64 -0.11 3.23 5.02 0.01 -2.57 118.16 123.04 1blr n LYS 20 Ca 0.12 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 1blr n LYS 20 Cb 0.26 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 1blr n LYS 20 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1blr n VAL 21 N -2.66 1.43 0.31 -0.18 0.24 -0.73 -3.80 118.33 112.95 1blr n VAL 21 Ca -0.09 -0.75 0.20 0.00 -2.04 0.00 0.00 64.34 61.66 1blr n VAL 21 Cb 0.74 -0.84 1.03 0.00 -1.47 0.00 0.00 33.84 33.30 1blr n VAL 21 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1blr h LEU 22 N 0.00 0.00 0.00 1.34 8.10 -1.57 -3.45 115.31 119.73 1blr h LEU 22 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.43 1blr h LEU 22 Cb 2.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.33 1blr h LEU 22 CO -0.01 0.01 0.00 0.61 -4.11 0.00 0.00 178.44 174.94 1blr n GLY 23 N -0.83 0.49 3.56 0.17 0.00 -1.26 -5.09 105.19 102.24 1blr n GLY 23 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1blr n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1blr n VAL 24 N 0.00 2.24 0.00 1.61 3.14 -1.06 -4.92 118.33 119.34 1blr n VAL 24 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1blr n VAL 24 Cb 0.00 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 1blr n VAL 24 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1blr n ASN 25 N 0.79 0.00 0.00 6.55 2.85 -1.26 -4.90 115.26 119.29 1blr n ASN 25 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1blr n ASN 25 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1blr n ASN 25 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1blr n VAL 26 N 0.00 0.00 0.02 3.44 0.31 -1.26 -4.90 118.33 115.94 1blr n VAL 26 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1blr n VAL 26 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1blr n VAL 26 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1blr h MET 27 N 2.44 -0.05 -6.38 5.55 2.86 -1.90 -3.44 114.93 114.01 1blr h MET 27 Ca 0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 1blr h MET 27 Cb 0.00 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1blr h MET 27 CO 0.00 -0.03 -0.82 1.28 1.06 0.00 0.00 176.91 178.40 1blr n LEU 28 N -2.18 -2.99 -1.75 1.22 7.99 -1.26 0.46 117.00 118.48 1blr n LEU 28 Ca -0.01 -0.80 -0.20 0.00 -0.01 0.00 0.00 56.01 54.99 1blr n LEU 28 Cb 0.02 -2.12 -0.07 0.00 -0.11 0.00 0.00 43.42 41.14 1blr n LEU 28 CO 0.02 0.09 -0.21 0.54 -1.51 0.00 0.00 177.39 176.32 1blr n ARG 29 N -2.88 -1.46 -1.99 3.23 1.74 -1.26 -2.27 116.66 111.77 1blr n ARG 29 Ca -0.20 1.15 -0.05 0.00 -0.77 0.00 0.00 57.85 57.99 1blr n ARG 29 Cb 0.62 -5.58 -0.01 0.00 -1.02 0.00 0.00 32.46 26.47 1blr n ARG 29 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1blr n LYS 30 N -2.55 -2.12 -3.89 5.56 5.02 0.17 -2.63 118.16 117.71 1blr n LYS 30 Ca -0.21 0.25 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1blr n LYS 30 Cb 0.67 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 31.00 1blr n LYS 30 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1blr n ILE 31 N -2.28 -0.98 0.00 -0.18 -0.00 -0.96 -4.20 119.36 110.76 1blr n ILE 31 Ca -0.05 -0.39 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 1blr n ILE 31 Cb 0.40 -0.92 0.00 0.00 -0.00 0.00 0.00 39.64 39.12 1blr n ILE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1blr n ALA 32 N -3.77 0.00 -2.88 -1.39 0.00 -1.11 -5.13 120.51 106.24 1blr n ALA 32 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 1blr n ALA 32 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1blr n ALA 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1blr s VAL 33 N 0.00 5.12 0.00 0.00 -7.23 -1.08 -4.90 120.40 112.31 1blr s VAL 33 Ca 0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1blr s VAL 33 Cb 0.00 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1blr s VAL 33 CO 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 174.92 1blr n ALA 34 N 0.31 0.00 -2.19 1.32 0.00 -1.26 -4.55 120.51 114.14 1blr n ALA 34 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1blr n ALA 34 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1blr n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1blr n ALA 35 N 0.00 -0.45 -1.51 0.00 0.00 -1.26 -4.78 120.51 112.51 1blr n ALA 35 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 1blr n ALA 35 Cb 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 19.45 19.09 1blr n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1blr n ALA 36 N -0.26 5.50 -3.15 0.00 0.00 -1.26 -4.98 120.51 116.36 1blr n ALA 36 Ca -0.06 -3.40 -0.02 0.00 0.00 0.00 0.00 53.44 49.96 1blr n ALA 36 Cb 0.51 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1blr n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1blr n SER 37 N -0.95 0.04 -3.18 0.00 2.88 -1.26 -5.13 113.62 106.02 1blr n SER 37 Ca 0.52 -1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 56.75 1blr n SER 37 Cb 0.97 0.13 -0.05 0.00 -0.75 0.00 0.00 64.21 64.52 1blr n SER 37 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1blr s LYS 38 N -2.11 0.84 0.83 -1.46 -2.85 -1.26 -5.15 119.74 108.59 1blr s LYS 38 Ca 0.03 -1.07 -0.12 0.00 -1.00 0.00 0.00 55.97 53.81 1blr s LYS 38 Cb 0.00 -0.54 0.09 0.00 -2.06 0.00 0.00 37.83 35.33 1blr s LYS 38 CO 0.02 -1.27 1.15 -1.25 0.10 0.00 0.00 175.35 174.10 1blr s PRO 39 N 1.07 1.77 0.31 1.78 0.04 -1.26 -5.00 135.00 133.72 1blr s PRO 39 Ca 0.23 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 1blr s PRO 39 Cb -0.06 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1blr s PRO 39 CO -0.07 -1.75 0.69 0.00 0.04 0.00 0.00 177.00 175.90 1blr s ALA 40 N -3.42 -0.83 0.31 8.56 0.00 -1.17 -4.27 121.76 120.94 1blr s ALA 40 Ca 0.62 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1blr s ALA 40 Cb -0.13 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1blr s ALA 40 CO 0.51 -0.98 0.53 0.54 0.00 0.00 0.00 175.76 176.36 1blr s VAL 41 N -3.46 0.00 -0.24 0.00 0.11 -1.18 -2.66 120.40 112.97 1blr s VAL 41 Ca 0.15 -1.42 -0.04 0.00 -2.93 0.00 0.00 61.98 57.74 1blr s VAL 41 Cb -0.05 -2.49 0.13 0.00 -1.53 0.00 0.00 36.38 32.44 1blr s VAL 41 CO 0.09 0.00 0.45 -1.83 -3.33 0.00 0.00 175.10 170.48 1blr s GLU 42 N -3.34 0.40 -0.02 1.54 -1.05 -0.92 -2.31 118.70 112.99 1blr s GLU 42 Ca 0.25 0.83 -0.06 0.00 -0.15 0.00 0.00 54.97 55.84 1blr s GLU 42 Cb -0.01 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1blr s GLU 42 CO 0.14 -0.49 0.22 0.42 0.95 0.00 0.00 175.26 176.50 1blr s ILE 43 N 2.65 5.38 -0.09 1.83 1.01 -0.90 -2.35 121.20 128.74 1blr s ILE 43 Ca 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1blr s ILE 43 Cb -0.14 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.84 1blr s ILE 43 CO -0.16 0.41 0.06 -0.54 0.00 0.00 0.00 174.94 174.70 1blr s LYS 44 N -1.66 0.11 0.01 2.79 1.02 -0.95 -2.23 119.74 118.83 1blr s LYS 44 Ca 0.25 0.18 -0.04 0.00 0.02 0.00 0.00 55.97 56.38 1blr s LYS 44 Cb -0.13 -0.99 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 1blr s LYS 44 CO 0.14 -0.42 0.06 1.14 -0.92 0.00 0.00 175.35 175.35 1blr s GLN 45 N 2.11 0.39 -0.46 1.68 1.03 -1.26 0.11 119.66 123.27 1blr s GLN 45 Ca 0.04 -0.49 0.03 0.00 0.04 0.00 0.00 55.36 54.98 1blr s GLN 45 Cb -0.13 0.16 0.15 0.00 0.03 0.00 0.00 33.01 33.22 1blr s GLN 45 CO -0.05 -0.08 0.31 -2.00 -2.54 0.00 0.00 175.29 170.93 1blr s GLU 46 N -1.39 1.26 5.54 9.60 2.12 -0.60 -4.90 118.70 130.33 1blr s GLU 46 Ca -0.15 -2.17 0.00 0.00 0.36 0.00 0.00 54.97 53.01 1blr s GLU 46 Cb -0.09 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.23 1blr s GLU 46 CO 0.00 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.87 1blr n GLY 47 N 3.12 0.31 0.00 -1.50 0.00 -1.26 -3.10 105.19 102.76 1blr n GLY 47 Ca 0.18 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1blr n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1blr n ASP 48 N 6.36 0.00 -4.80 1.61 5.68 -1.26 -4.74 116.55 119.41 1blr n ASP 48 Ca 0.00 -0.61 -0.38 0.00 -0.50 0.00 0.00 54.79 53.29 1blr n ASP 48 Cb 0.00 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 1blr n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1blr s THR 49 N -2.20 4.89 0.06 2.12 2.01 -1.18 -0.83 115.64 120.52 1blr s THR 49 Ca 0.37 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 1blr s THR 49 Cb 0.19 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1blr s THR 49 CO 0.36 0.50 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.40 1blr s PHE 50 N -0.70 0.60 0.01 4.92 0.40 -0.55 -1.56 117.98 121.10 1blr s PHE 50 Ca 0.28 -1.05 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1blr s PHE 50 Cb -0.18 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 1blr s PHE 50 CO 0.16 -0.34 -0.03 -0.47 0.70 0.00 0.00 175.22 175.24 1blr s TYR 51 N -3.87 0.26 -0.25 0.36 6.14 0.12 -1.67 117.35 118.44 1blr s TYR 51 Ca 0.09 -0.28 -0.02 0.00 0.64 0.00 0.00 57.07 57.50 1blr s TYR 51 Cb 0.07 -0.17 0.12 0.00 0.42 0.00 0.00 41.96 42.40 1blr s TYR 51 CO -0.09 -0.08 0.26 0.42 0.64 0.00 0.00 175.55 176.70 1blr s ILE 52 N -0.74 -0.36 -0.45 3.14 1.01 -0.99 -2.23 121.20 120.58 1blr s ILE 52 Ca -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1blr s ILE 52 Cb -0.05 -0.85 0.12 0.00 0.01 0.00 0.00 42.46 41.68 1blr s ILE 52 CO -0.00 -0.36 0.27 -0.75 0.00 0.00 0.00 174.94 174.10 1blr s LYS 53 N 2.34 2.19 -1.17 2.79 2.20 -0.99 -1.77 119.74 125.34 1blr s LYS 53 Ca 0.09 -1.89 -0.18 0.00 -0.36 0.00 0.00 55.97 53.63 1blr s LYS 53 Cb -0.15 -3.70 0.10 0.00 -1.51 0.00 0.00 37.83 32.57 1blr s LYS 53 CO -0.24 -1.12 1.52 0.99 -0.36 0.00 0.00 175.35 176.15 1blr s THR 54 N 1.07 4.37 0.00 3.43 2.01 -1.26 -2.17 115.64 123.10 1blr s THR 54 Ca 0.09 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.29 1blr s THR 54 Cb -0.23 -5.05 0.00 0.00 0.01 0.00 0.00 72.50 67.23 1blr s THR 54 CO -0.03 -1.84 0.00 -1.54 -0.69 0.00 0.00 174.62 170.51 1blr n SER 55 N 7.60 1.83 0.00 3.53 3.41 -1.09 -4.81 113.62 124.10 1blr n SER 55 Ca 0.39 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1blr n SER 55 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1blr n SER 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1blr n THR 56 N 0.00 0.00 0.11 6.66 -1.04 -1.26 -3.02 114.28 115.73 1blr n THR 56 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1blr n THR 56 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1blr n THR 56 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1blr n THR 57 N -2.02 0.00 -0.64 12.58 -1.04 -1.26 -5.01 114.28 116.89 1blr n THR 57 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1blr n THR 57 Cb 0.00 -0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.61 1blr n THR 57 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1blr n VAL 58 N -2.95 0.00 -2.56 12.58 0.24 -1.26 -4.95 118.33 119.42 1blr n VAL 58 Ca 0.00 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1blr n VAL 58 Cb 0.00 -1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 31.32 1blr n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1blr s ARG 59 N -3.95 4.65 0.04 7.34 3.52 -1.26 -5.02 118.95 124.27 1blr s ARG 59 Ca 0.28 1.67 -0.01 0.00 -0.13 0.00 0.00 55.73 57.54 1blr s ARG 59 Cb -0.03 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1blr s ARG 59 CO 0.21 0.18 -0.03 0.99 -0.81 0.00 0.00 175.30 175.85 1blr s THR 60 N -0.52 0.19 0.35 4.11 2.01 -1.26 -5.03 115.64 115.48 1blr s THR 60 Ca 0.47 -1.59 0.03 0.00 0.31 0.00 0.00 61.69 60.91 1blr s THR 60 Cb -0.29 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1blr s THR 60 CO 0.35 -0.88 0.52 0.28 -0.69 0.00 0.00 174.62 174.20 1blr s THR 61 N -3.35 4.53 0.03 -0.82 -1.32 -1.26 -5.00 115.64 108.44 1blr s THR 61 Ca 0.02 -0.74 -0.08 0.00 -1.21 0.00 0.00 61.69 59.68 1blr s THR 61 Cb 0.04 -3.62 -0.00 0.00 -1.51 0.00 0.00 72.50 67.40 1blr s THR 61 CO -0.08 -0.33 0.15 -1.83 -2.21 0.00 0.00 174.62 170.33 1blr s GLU 62 N -4.27 0.63 -0.58 7.08 4.04 -1.26 -4.03 118.70 120.31 1blr s GLU 62 Ca 0.42 -0.63 -0.19 0.00 0.04 0.00 0.00 54.97 54.62 1blr s GLU 62 Cb -0.10 0.26 0.10 0.00 0.02 0.00 0.00 34.13 34.41 1blr s GLU 62 CO 0.34 -0.17 0.68 0.96 -1.84 0.00 0.00 175.26 175.22 1blr s ILE 63 N -2.39 4.86 -1.21 1.83 -4.36 -0.73 -4.86 121.20 114.35 1blr s ILE 63 Ca -0.07 -0.99 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 1blr s ILE 63 Cb -0.02 -4.46 0.20 0.00 1.25 0.00 0.00 42.46 39.43 1blr s ILE 63 CO -0.03 -1.07 1.55 -0.46 0.24 0.00 0.00 174.94 175.17 1blr n ASN 64 N 6.22 5.36 0.00 4.36 2.04 -1.26 -2.35 115.26 129.64 1blr n ASN 64 Ca -0.10 -3.08 0.00 0.00 -0.44 0.00 0.00 54.58 50.96 1blr n ASN 64 Cb 0.43 -1.48 0.00 0.00 -2.53 0.00 0.00 39.78 36.20 1blr n ASN 64 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1blr n PHE 65 N 4.15 0.00 -3.66 -2.53 -1.74 -0.67 -4.97 117.46 108.03 1blr n PHE 65 Ca 0.35 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 57.14 1blr n PHE 65 Cb 0.39 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.29 1blr n PHE 65 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1blr s LYS 66 N 1.65 0.30 0.30 3.97 -2.85 -1.26 -1.49 119.74 120.35 1blr s LYS 66 Ca 0.00 0.96 -0.26 0.00 -1.00 0.00 0.00 55.97 55.67 1blr s LYS 66 Cb 0.00 0.24 -0.15 0.00 -2.06 0.00 0.00 37.83 35.86 1blr s LYS 66 CO 0.00 -0.25 0.57 0.28 0.10 0.00 0.00 175.35 176.06 1blr n VAL 67 N 5.27 1.76 -0.05 1.79 0.31 -0.01 -3.02 118.33 124.38 1blr n VAL 67 Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1blr n VAL 67 Cb 0.50 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1blr n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1blr n GLY 68 N 1.83 0.97 3.33 2.92 0.00 -1.05 -4.92 105.19 108.27 1blr n GLY 68 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1blr n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1blr s GLU 69 N -0.45 1.29 0.39 1.61 0.41 -1.17 -5.05 118.70 115.74 1blr s GLU 69 Ca 0.00 -1.47 0.08 0.00 -0.41 0.00 0.00 54.97 53.17 1blr s GLU 69 Cb 0.00 0.34 -0.06 0.00 -1.78 0.00 0.00 34.13 32.63 1blr s GLU 69 CO 0.00 -0.47 0.07 -1.83 -0.49 0.00 0.00 175.26 172.55 1blr s GLU 70 N -4.10 2.09 0.18 1.61 1.03 -1.26 -2.84 118.70 115.41 1blr s GLU 70 Ca 0.31 -1.89 0.00 0.00 0.03 0.00 0.00 54.97 53.42 1blr s GLU 70 Cb 0.04 -1.86 -0.00 0.00 -0.80 0.00 0.00 34.13 31.51 1blr s GLU 70 CO 0.10 -0.02 0.00 1.19 -1.33 0.00 0.00 175.26 175.20 1blr n PHE 71 N -1.07 0.40 -4.23 4.83 3.72 -0.81 -4.94 117.46 115.37 1blr n PHE 71 Ca -0.03 -0.88 -0.16 0.00 -0.05 0.00 0.00 57.45 56.33 1blr n PHE 71 Cb 0.65 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.97 1blr n PHE 71 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1blr s GLU 72 N -2.64 1.01 0.10 -1.08 2.02 -1.26 -2.57 118.70 114.28 1blr s GLU 72 Ca 0.00 -1.32 -0.07 0.00 0.02 0.00 0.00 54.97 53.61 1blr s GLU 72 Cb 0.00 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.54 1blr s GLU 72 CO 0.00 0.11 0.35 0.39 0.02 0.00 0.00 175.26 176.14 1blr n GLU 73 N 0.22 0.32 -3.75 1.61 1.02 0.26 -4.85 120.64 115.47 1blr n GLU 73 Ca -0.13 -0.67 -0.15 0.00 -0.02 0.00 0.00 57.16 56.18 1blr n GLU 73 Cb 0.59 0.87 -0.16 0.00 -0.02 0.00 0.00 31.44 32.72 1blr n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1blr s GLN 74 N -2.02 -0.02 0.00 3.49 -0.21 -1.21 -2.07 119.66 117.62 1blr s GLN 74 Ca 0.08 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1blr s GLN 74 Cb -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.73 1blr s GLN 74 CO 0.03 -0.19 0.00 2.41 -2.12 0.00 0.00 175.29 175.42 1blr n THR 75 N 4.34 0.00 -0.03 -0.19 -1.04 -1.22 -4.72 114.28 111.42 1blr n THR 75 Ca -0.24 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.74 1blr n THR 75 Cb 0.50 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1blr n THR 75 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1blr n VAL 76 N -0.39 0.57 -3.97 12.58 0.31 -1.26 -4.97 118.33 121.21 1blr n VAL 76 Ca 0.00 0.38 -0.17 0.00 -0.01 0.00 0.00 64.34 64.54 1blr n VAL 76 Cb 0.00 -1.85 -0.16 0.00 -0.91 0.00 0.00 33.84 30.92 1blr n VAL 76 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1blr s ASP 77 N -4.49 0.46 0.00 4.52 2.15 -1.26 -4.94 116.67 113.10 1blr s ASP 77 Ca -0.07 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.87 1blr s ASP 77 Cb 0.01 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 1blr s ASP 77 CO 0.11 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1blr n GLY 78 N 4.03 1.91 3.53 2.66 0.00 -1.26 -5.07 105.19 110.99 1blr n GLY 78 Ca -0.26 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1blr n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1blr s ARG 79 N 0.00 1.66 0.80 1.61 0.52 -1.26 -5.14 118.95 117.14 1blr s ARG 79 Ca 0.00 -1.45 -0.13 0.00 -0.52 0.00 0.00 55.73 53.62 1blr s ARG 79 Cb 0.00 0.45 0.19 0.00 0.52 0.00 0.00 34.95 36.11 1blr s ARG 79 CO 0.00 -0.68 0.92 -0.35 0.02 0.00 0.00 175.30 175.20 1blr n PRO 80 N -0.43 -1.60 -3.69 3.54 -0.04 -1.26 -3.44 135.00 128.08 1blr n PRO 80 Ca -0.01 -1.43 -0.13 0.00 -0.04 0.00 0.00 63.50 61.89 1blr n PRO 80 Cb 0.62 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.90 1blr n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1blr n LYS 82 N 2.97 1.67 -4.14 0.00 2.85 -0.33 0.92 118.16 122.09 1blr n LYS 82 Ca -0.15 -0.87 -0.16 0.00 -1.05 0.00 0.00 58.31 56.08 1blr n LYS 82 Cb 0.56 0.22 -0.05 0.00 -0.65 0.00 0.00 35.03 35.11 1blr n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1blr s SER 83 N -1.67 1.13 -0.30 -5.58 1.04 -1.06 -1.74 113.70 105.51 1blr s SER 83 Ca 0.01 -1.56 -0.13 0.00 0.48 0.00 0.00 55.95 54.74 1blr s SER 83 Cb -0.00 0.63 0.16 0.00 0.10 0.00 0.00 66.02 66.91 1blr s SER 83 CO 0.00 -1.23 0.92 -0.22 0.98 0.00 0.00 173.24 173.69 1blr s LEU 84 N -3.28 -0.71 0.16 2.42 0.20 -1.07 -1.92 118.68 114.49 1blr s LEU 84 Ca 0.33 0.85 -0.14 0.00 0.69 0.00 0.00 54.13 55.86 1blr s LEU 84 Cb 0.00 1.76 -0.07 0.00 -0.43 0.00 0.00 46.19 47.45 1blr s LEU 84 CO 0.22 -0.14 0.57 -0.69 -0.29 0.00 0.00 176.35 176.02 1blr s VAL 85 N 2.61 4.84 0.00 1.68 1.01 -1.13 -1.83 120.40 127.58 1blr s VAL 85 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1blr s VAL 85 Cb -0.08 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1blr s VAL 85 CO -0.17 0.20 0.00 1.17 0.00 0.00 0.00 175.10 176.30 1blr n LYS 86 N 0.69 0.00 -3.88 2.72 3.00 -0.82 -2.53 118.16 117.34 1blr n LYS 86 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.05 1blr n LYS 86 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 1blr n LYS 86 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1blr n TRP 87 N 0.00 0.56 0.11 5.64 7.02 -1.26 -1.91 117.44 127.60 1blr n TRP 87 Ca 0.00 -1.87 0.00 0.00 -1.02 0.00 0.00 57.50 54.61 1blr n TRP 87 Cb 0.00 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 1blr n TRP 87 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1blr n GLU 88 N -0.83 0.00 0.01 -0.99 4.07 0.14 -4.56 120.64 118.48 1blr n GLU 88 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1blr n GLU 88 Cb 0.46 -0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 1blr n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1blr n SER 89 N -3.29 0.22 0.00 4.31 3.41 -1.23 -5.01 113.62 112.04 1blr n SER 89 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1blr n SER 89 Cb 0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1blr n SER 89 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1blr n GLU 90 N -3.09 0.00 -0.03 4.33 0.28 -1.26 -4.91 120.64 115.96 1blr n GLU 90 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1blr n GLU 90 Cb 0.39 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.32 1blr n GLU 90 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1blr n ASN 91 N 0.00 2.13 -4.12 -1.84 4.13 -1.26 -4.05 115.26 110.24 1blr n ASN 91 Ca 0.00 -1.57 -0.33 0.00 1.68 0.00 0.00 54.58 54.37 1blr n ASN 91 Cb 0.00 -0.04 -0.16 0.00 -1.54 0.00 0.00 39.78 38.04 1blr n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1blr s LYS 92 N -0.96 2.92 0.24 3.52 2.36 -1.26 -1.92 119.74 124.64 1blr s LYS 92 Ca 0.15 -0.81 0.08 0.00 -2.55 0.00 0.00 55.97 52.84 1blr s LYS 92 Cb 0.10 -2.48 -0.05 0.00 -1.05 0.00 0.00 37.83 34.35 1blr s LYS 92 CO 0.15 -0.16 -0.12 0.00 1.55 0.00 0.00 175.35 176.77 1blr s MET 93 N 1.17 1.46 0.29 4.03 0.23 -0.37 0.24 119.30 126.35 1blr s MET 93 Ca 0.01 -1.69 0.00 0.00 -1.03 0.00 0.00 55.69 52.99 1blr s MET 93 Cb -0.14 -1.23 -0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1blr s MET 93 CO -0.10 0.15 0.02 1.33 -2.03 0.00 0.00 175.02 174.39 1blr n VAL 94 N -0.49 0.00 -2.73 5.16 0.24 -0.80 -1.37 118.33 118.34 1blr n VAL 94 Ca -0.07 -1.40 -0.05 0.00 -2.04 0.00 0.00 64.34 60.78 1blr n VAL 94 Cb 0.61 0.32 0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1blr n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1blr s GLU 96 N 0.79 3.53 -0.23 0.00 2.12 -0.76 -1.51 118.70 122.64 1blr s GLU 96 Ca 0.29 1.55 -0.10 0.00 0.36 0.00 0.00 54.97 57.08 1blr s GLU 96 Cb 0.09 -4.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 1blr s GLU 96 CO -0.11 -1.63 0.13 -0.65 -0.54 0.00 0.00 175.26 172.47 1blr s GLN 97 N 5.27 3.99 0.29 4.30 -0.21 -0.49 -2.60 119.66 130.21 1blr s GLN 97 Ca 0.77 -0.31 0.05 0.00 0.02 0.00 0.00 55.36 55.89 1blr s GLN 97 Cb -0.24 -3.46 -0.06 0.00 1.00 0.00 0.00 33.01 30.25 1blr s GLN 97 CO 0.32 0.05 -0.02 -1.59 -2.12 0.00 0.00 175.29 171.94 1blr s LYS 98 N 1.05 1.56 -0.55 2.91 -2.85 -0.71 -2.60 119.74 118.55 1blr s LYS 98 Ca 0.06 -1.81 0.01 0.00 -1.00 0.00 0.00 55.97 53.23 1blr s LYS 98 Cb -0.14 -1.03 0.57 0.00 -2.06 0.00 0.00 37.83 35.17 1blr s LYS 98 CO 0.04 -0.04 1.96 1.47 0.10 0.00 0.00 175.35 178.88 1blr n LEU 99 N -0.60 7.13 -1.62 2.77 -0.00 -1.26 -1.19 117.00 122.23 1blr n LEU 99 Ca -0.05 -3.93 -0.18 0.00 -0.00 0.00 0.00 56.01 51.86 1blr n LEU 99 Cb 0.64 -0.90 -0.07 0.00 -0.00 0.00 0.00 43.42 43.10 1blr n LEU 99 CO 0.40 1.25 -0.17 0.18 -0.00 0.00 0.00 177.39 179.05 1blr n LEU 100 N -1.04 -1.32 0.04 1.47 4.77 -1.25 -4.13 117.00 115.54 1blr n LEU 100 Ca 0.61 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1blr n LEU 100 Cb 1.21 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1blr n LEU 100 CO 0.69 -0.83 0.00 1.17 -1.33 0.00 0.00 177.39 177.09 1blr n LYS 101 N -2.26 0.00 0.00 3.23 0.00 -1.26 -5.06 118.16 112.81 1blr n LYS 101 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 1blr n LYS 101 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1blr n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1blr n GLY 102 N -1.11 -1.82 0.32 3.14 0.00 -1.26 -5.02 105.19 99.44 1blr n GLY 102 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1blr n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1blr n GLU 103 N -0.28 0.00 0.00 1.61 0.28 -1.26 -5.07 120.64 115.93 1blr n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1blr n GLU 103 Cb 0.00 -0.83 0.00 0.00 1.43 0.00 0.00 31.44 32.04 1blr n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1blr n GLY 104 N 3.29 0.29 0.00 -1.84 0.00 -1.26 -5.14 105.19 100.53 1blr n GLY 104 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1blr n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1blr n PRO 105 N 0.00 1.23 -3.76 1.61 -0.04 -1.26 -5.06 135.00 127.73 1blr n PRO 105 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1blr n PRO 105 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1blr n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1blr s LYS 106 N 0.25 1.15 0.34 0.54 2.20 -1.26 -4.83 119.74 118.14 1blr s LYS 106 Ca 0.00 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 1blr s LYS 106 Cb 0.00 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1blr s LYS 106 CO 0.00 -0.53 0.32 0.95 -0.36 0.00 0.00 175.35 175.73 1blr s THR 107 N -3.15 3.53 0.00 3.43 -4.23 -1.07 -1.52 115.64 112.64 1blr s THR 107 Ca 0.13 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1blr s THR 107 Cb -0.01 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1blr s THR 107 CO 0.02 -0.16 0.00 -1.54 -0.54 0.00 0.00 174.62 172.40 1blr n SER 108 N -1.42 0.00 -3.60 3.99 3.41 -1.04 -1.40 113.62 113.55 1blr n SER 108 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 1blr n SER 108 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1blr n SER 108 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1blr s TRP 109 N -2.00 -0.70 -0.19 7.33 1.48 -0.57 0.28 118.94 124.58 1blr s TRP 109 Ca 0.00 1.57 -0.01 0.00 -1.06 0.00 0.00 56.10 56.60 1blr s TRP 109 Cb 0.00 0.32 0.05 0.00 -1.16 0.00 0.00 33.47 32.69 1blr s TRP 109 CO 0.00 -0.41 -0.01 0.95 -4.06 0.00 0.00 176.95 173.42 1blr s THR 110 N -0.09 0.91 -0.15 0.66 -4.23 -0.55 0.11 115.64 112.30 1blr s THR 110 Ca -0.02 -0.72 -0.23 0.00 -1.18 0.00 0.00 61.69 59.54 1blr s THR 110 Cb -0.04 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 1blr s THR 110 CO 0.02 -0.08 0.73 -0.13 -0.54 0.00 0.00 174.62 174.61 1blr s ARG 111 N 1.69 4.32 0.08 3.99 0.52 -0.47 -2.13 118.95 126.95 1blr s ARG 111 Ca -0.02 0.85 0.06 0.00 -0.52 0.00 0.00 55.73 56.10 1blr s ARG 111 Cb -0.17 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 1blr s ARG 111 CO -0.07 -0.18 -0.17 -2.00 0.02 0.00 0.00 175.30 172.91 1blr s GLU 112 N 1.64 0.93 0.35 3.54 2.12 -0.57 -1.23 118.70 125.48 1blr s GLU 112 Ca 0.35 -1.04 0.07 0.00 0.36 0.00 0.00 54.97 54.72 1blr s GLU 112 Cb -0.17 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 1blr s GLU 112 CO 0.14 0.23 0.31 -0.51 -0.54 0.00 0.00 175.26 174.88 1blr s LEU 113 N -1.82 3.56 -0.22 2.70 2.01 -0.81 -0.66 118.68 123.43 1blr s LEU 113 Ca 0.01 -0.54 -0.12 0.00 0.01 0.00 0.00 54.13 53.50 1blr s LEU 113 Cb -0.10 -2.19 0.07 0.00 0.01 0.00 0.00 46.19 43.99 1blr s LEU 113 CO 0.03 -0.41 0.53 -0.89 1.01 0.00 0.00 176.35 176.62 1blr s THR 114 N -2.34 -0.15 0.00 5.49 2.01 -1.04 -4.84 115.64 114.77 1blr s THR 114 Ca 0.42 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1blr s THR 114 Cb -0.05 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1blr s THR 114 CO 0.27 0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.81 1blr n ASN 115 N 4.49 0.00 -1.38 3.53 4.13 -1.26 -2.71 115.26 122.06 1blr n ASN 115 Ca -0.20 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.04 1blr n ASN 115 Cb 0.56 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.81 1blr n ASN 115 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1blr n ASP 116 N 2.93 -0.66 0.00 6.41 2.03 -1.26 -4.99 116.55 121.01 1blr n ASP 116 Ca 0.00 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 53.97 1blr n ASP 116 Cb 0.00 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1blr n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1blr n GLY 117 N -0.38 0.00 2.30 0.27 0.00 -1.10 -4.89 105.19 101.39 1blr n GLY 117 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1blr n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1blr n GLU 118 N 0.00 0.73 -2.62 1.61 4.71 -1.15 -3.94 120.64 119.97 1blr n GLU 118 Ca 0.00 -2.91 -0.42 0.00 -0.01 0.00 0.00 57.16 53.82 1blr n GLU 118 Cb 0.00 -1.26 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 1blr n GLU 118 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1blr s LEU 119 N -1.09 3.50 -0.45 -4.62 0.20 -0.68 -2.50 118.68 113.04 1blr s LEU 119 Ca 0.34 -0.20 -0.21 0.00 0.69 0.00 0.00 54.13 54.76 1blr s LEU 119 Cb 0.18 -2.88 0.03 0.00 -0.43 0.00 0.00 46.19 43.09 1blr s LEU 119 CO -0.14 -1.56 0.67 0.27 -0.29 0.00 0.00 176.35 175.30 1blr s ILE 120 N 5.02 4.79 -0.25 6.68 -5.25 0.16 -0.46 121.20 131.89 1blr s ILE 120 Ca 0.37 0.09 -0.06 0.00 -0.99 0.00 0.00 60.65 60.07 1blr s ILE 120 Cb -0.09 -4.24 -0.01 0.00 2.95 0.00 0.00 42.46 41.07 1blr s ILE 120 CO 0.20 -0.66 0.03 -0.22 -1.79 0.00 0.00 174.94 172.51 1blr s LEU 121 N 2.90 3.32 0.23 0.37 1.98 -1.13 -1.52 118.68 124.85 1blr s LEU 121 Ca 0.23 -0.40 0.05 0.00 -2.89 0.00 0.00 54.13 51.12 1blr s LEU 121 Cb -0.14 -1.84 -0.03 0.00 0.66 0.00 0.00 46.19 44.83 1blr s LEU 121 CO 0.19 -0.07 0.29 -0.89 -1.89 0.00 0.00 176.35 173.98 1blr s THR 122 N 1.53 4.97 -0.38 3.68 2.01 -0.90 -3.13 115.64 123.42 1blr s THR 122 Ca 0.05 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 61.02 1blr s THR 122 Cb -0.15 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 68.86 1blr s THR 122 CO 0.01 -0.30 0.58 -0.32 -0.69 0.00 0.00 174.62 173.89 1blr s MET 123 N -3.83 0.73 0.99 4.92 0.00 -0.83 -1.49 119.30 119.80 1blr s MET 123 Ca 0.34 -0.18 -0.12 0.00 0.00 0.00 0.00 55.69 55.72 1blr s MET 123 Cb -0.09 -0.00 0.18 0.00 0.00 0.00 0.00 34.83 34.92 1blr s MET 123 CO 0.27 -1.16 1.09 0.95 0.00 0.00 0.00 175.02 176.18 1blr s THR 124 N 1.99 2.14 -0.30 10.11 -4.23 0.14 -2.12 115.64 123.38 1blr s THR 124 Ca 0.15 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 1blr s THR 124 Cb -0.07 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.43 1blr s THR 124 CO -0.11 -0.06 1.06 0.00 -0.54 0.00 0.00 174.62 174.98 1blr s ALA 125 N -2.95 -3.91 -1.23 3.99 0.00 -0.70 -2.51 121.76 114.45 1blr s ALA 125 Ca 0.65 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.96 1blr s ALA 125 Cb -0.19 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1blr s ALA 125 CO 0.58 -1.91 0.24 -3.47 0.00 0.00 0.00 175.76 171.20 1blr n ASP 126 N 5.22 -4.80 0.00 0.00 2.03 -0.57 -2.06 116.55 116.37 1blr n ASP 126 Ca 0.04 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1blr n ASP 126 Cb 0.57 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 1blr n ASP 126 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1blr n ASP 127 N -1.18 0.00 -4.44 1.67 2.03 -1.25 -4.46 116.55 108.91 1blr n ASP 127 Ca -0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.90 1blr n ASP 127 Cb 0.61 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.16 1blr n ASP 127 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1blr s VAL 128 N -2.39 2.06 -0.27 5.18 -7.23 -0.87 -4.77 120.40 112.11 1blr s VAL 128 Ca 0.00 -0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.99 1blr s VAL 128 Cb 0.00 -2.92 0.15 0.00 0.56 0.00 0.00 36.38 34.17 1blr s VAL 128 CO 0.00 0.00 0.52 -0.69 -0.31 0.00 0.00 175.10 174.62 1blr s VAL 129 N -3.63 -0.84 -0.88 1.32 1.01 -1.26 -1.72 120.40 114.41 1blr s VAL 129 Ca 0.69 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1blr s VAL 129 Cb -0.06 -0.90 0.16 0.00 0.00 0.00 0.00 36.38 35.58 1blr s VAL 129 CO 0.50 -0.02 0.99 0.00 0.00 0.00 0.00 175.10 176.57 1blr s THR 131 N 1.89 4.47 -0.09 0.00 2.01 -1.26 -1.97 115.64 120.70 1blr s THR 131 Ca 0.27 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1blr s THR 131 Cb -0.07 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1blr s THR 131 CO -0.08 0.27 0.20 0.00 -0.69 0.00 0.00 174.62 174.32 1blr s ARG 132 N 1.63 0.14 0.60 4.92 1.70 -1.18 -4.25 118.95 122.50 1blr s ARG 132 Ca 0.06 0.48 -0.17 0.00 -0.47 0.00 0.00 55.73 55.63 1blr s ARG 132 Cb -0.16 -0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.04 1blr s ARG 132 CO 0.05 -0.18 1.08 0.08 -1.08 0.00 0.00 175.30 175.25 1blr s VAL 133 N 1.35 3.52 0.32 4.99 1.01 0.81 -2.82 120.40 129.58 1blr s VAL 133 Ca -0.08 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1blr s VAL 133 Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1blr s VAL 133 CO -0.07 -0.38 0.10 -0.31 0.00 0.00 0.00 175.10 174.44 1blr s TYR 134 N -2.26 1.74 0.09 5.22 1.51 0.39 0.14 117.35 124.19 1blr s TYR 134 Ca 0.66 -1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 55.50 1blr s TYR 134 Cb -0.19 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1blr s TYR 134 CO 0.35 -0.25 0.12 0.08 -1.11 0.00 0.00 175.55 174.74 1blr s VAL 135 N -3.46 0.16 -0.34 0.71 1.01 -1.06 -1.69 120.40 115.73 1blr s VAL 135 Ca 0.34 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 1blr s VAL 135 Cb 0.06 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1blr s VAL 135 CO 0.15 -0.72 0.87 -0.13 0.00 0.00 0.00 175.10 175.27 1blr s ARG 136 N -3.90 3.89 0.00 2.72 0.52 -1.25 -1.76 118.95 119.16 1blr s ARG 136 Ca 0.08 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 1blr s ARG 136 Cb 0.06 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1blr s ARG 136 CO -0.09 -0.84 0.18 -1.91 0.02 0.00 0.00 175.30 172.66