#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umr h LEU 2 N 0.00 -1.44 0.00 0.99 7.12 -1.99 -3.32 115.31 116.66 1umr h LEU 2 Ca 0.00 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1umr h LEU 2 Cb 0.00 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1umr h LEU 2 CO 0.00 -0.60 -0.82 1.41 -0.13 0.00 0.00 178.44 178.30 1umr n HIS 3 N -5.52 0.00 -4.42 1.25 8.25 -1.26 -5.06 115.22 108.46 1umr n HIS 3 Ca -0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.13 1umr n HIS 3 Cb 0.43 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 1umr n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1umr s PRO 5 N -3.30 -1.33 0.48 0.00 0.02 -1.26 -1.45 135.00 128.16 1umr s PRO 5 Ca 0.25 0.23 -0.23 0.00 0.02 0.00 0.00 61.00 61.27 1umr s PRO 5 Cb -0.05 -1.56 -0.07 0.00 0.02 0.00 0.00 34.50 32.85 1umr s PRO 5 CO 0.11 -3.85 1.28 -1.12 -0.33 0.00 0.00 177.00 173.10 1umr s SER 6 N -3.40 5.82 0.00 2.53 0.01 -1.26 -2.91 113.70 114.49 1umr s SER 6 Ca 0.69 2.58 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1umr s SER 6 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1umr s SER 6 CO 0.58 -1.18 0.00 0.47 0.41 0.00 0.00 173.24 173.52 1umr n ASP 7 N -0.58 0.00 -4.89 2.44 8.00 -1.26 -5.02 116.55 115.24 1umr n ASP 7 Ca 0.08 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 1umr n ASP 7 Cb 0.46 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1umr n ASP 7 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1umr s TRP 8 N -3.03 3.46 0.06 1.24 0.52 -1.15 -4.79 118.94 115.25 1umr s TRP 8 Ca 0.00 0.68 -0.01 0.00 0.02 0.00 0.00 56.10 56.78 1umr s TRP 8 Cb 0.00 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 1umr s TRP 8 CO 0.00 0.32 0.24 0.71 0.02 0.00 0.00 176.95 178.24 1umr s TYR 9 N -1.80 3.52 -0.31 -1.98 1.51 0.19 -4.84 117.35 113.64 1umr s TYR 9 Ca 0.44 0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 56.73 1umr s TYR 9 Cb -0.11 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1umr s TYR 9 CO 0.24 0.57 0.16 -0.47 -1.11 0.00 0.00 175.55 174.95 1umr s TYR 10 N -1.50 3.18 -0.04 2.71 5.04 -1.26 -1.11 117.35 124.37 1umr s TYR 10 Ca 0.35 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1umr s TYR 10 Cb -0.13 -2.36 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1umr s TYR 10 CO 0.26 -0.44 -0.13 -0.47 -1.34 0.00 0.00 175.55 173.43 1umr s TYR 11 N 1.63 1.39 0.00 4.97 5.04 -0.49 -5.00 117.35 124.88 1umr s TYR 11 Ca 0.05 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1umr s TYR 11 Cb -0.17 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.18 1umr s TYR 11 CO 0.07 -0.16 0.00 -3.47 -1.34 0.00 0.00 175.55 170.65 1umr n ASP 12 N 3.29 0.00 -0.48 4.32 4.64 -1.26 -1.30 116.55 125.76 1umr n ASP 12 Ca -0.19 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.29 1umr n ASP 12 Cb 0.53 0.00 0.19 0.00 -1.04 0.00 0.00 41.12 40.80 1umr n ASP 12 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1umr n GLN 13 N 4.37 1.53 -4.34 -0.67 6.02 -1.26 -5.03 117.38 118.01 1umr n GLN 13 Ca 0.00 -3.10 -0.17 0.00 -0.01 0.00 0.00 57.00 53.72 1umr n GLN 13 Cb 0.00 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 1umr n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1umr s HIS 14 N -3.14 1.60 -0.09 1.08 3.76 -0.42 -4.10 115.29 113.99 1umr s HIS 14 Ca 0.37 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.42 1umr s HIS 14 Cb 0.35 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 1umr s HIS 14 CO -0.04 0.09 0.12 0.00 -0.85 0.00 0.00 174.74 174.06 1umr s TYR 16 N -1.07 0.60 -0.24 0.00 1.51 -0.26 -1.65 117.35 116.23 1umr s TYR 16 Ca 0.17 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.44 1umr s TYR 16 Cb -0.12 -0.37 0.07 0.00 -0.11 0.00 0.00 41.96 41.43 1umr s TYR 16 CO 0.07 -0.15 0.60 0.50 -1.11 0.00 0.00 175.55 175.46 1umr s ARG 17 N -2.19 0.63 -0.19 -0.62 3.52 -0.64 -0.64 118.95 118.83 1umr s ARG 17 Ca -0.06 1.02 -0.16 0.00 -0.13 0.00 0.00 55.73 56.40 1umr s ARG 17 Cb -0.05 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1umr s ARG 17 CO -0.02 -0.13 0.38 -1.50 -0.81 0.00 0.00 175.30 173.22 1umr s ILE 18 N 1.23 5.22 -0.29 4.11 2.07 -1.26 -1.09 121.20 131.19 1umr s ILE 18 Ca -0.07 0.69 -0.11 0.00 -1.41 0.00 0.00 60.65 59.74 1umr s ILE 18 Cb -0.06 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 1umr s ILE 18 CO -0.13 0.29 0.20 -0.36 -1.91 0.00 0.00 174.94 173.03 1umr s PHE 19 N 1.09 3.22 -1.25 3.50 0.08 -0.18 -4.98 117.98 119.46 1umr s PHE 19 Ca 0.19 0.07 -0.14 0.00 0.12 0.00 0.00 56.93 57.17 1umr s PHE 19 Cb -0.14 -2.40 0.14 0.00 -0.57 0.00 0.00 43.02 40.05 1umr s PHE 19 CO 0.07 -0.20 1.58 0.09 -0.10 0.00 0.00 175.22 176.67 1umr n ASN 20 N 5.08 5.10 -3.60 1.36 3.02 -1.26 -2.47 115.26 122.48 1umr n ASN 20 Ca -0.14 -2.98 -0.04 0.00 -0.03 0.00 0.00 54.58 51.40 1umr n ASN 20 Cb 0.52 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.02 1umr n ASN 20 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1umr s GLU 21 N 2.07 0.46 -0.31 3.52 0.41 -1.26 -5.01 118.70 118.58 1umr s GLU 21 Ca 0.45 1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 55.93 1umr s GLU 21 Cb 0.01 0.56 -0.02 0.00 -1.78 0.00 0.00 34.13 32.90 1umr s GLU 21 CO 0.02 -0.28 1.68 -1.21 -0.49 0.00 0.00 175.26 174.98 1umr s GLU 22 N 2.76 3.51 0.07 1.61 2.02 -1.26 -3.39 118.70 124.02 1umr s GLU 22 Ca -0.01 1.42 0.01 0.00 0.02 0.00 0.00 54.97 56.41 1umr s GLU 22 Cb -0.12 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 1umr s GLU 22 CO -0.16 -1.64 -0.05 -1.64 0.02 0.00 0.00 175.26 171.78 1umr s MET 23 N 5.26 0.68 0.53 1.61 -1.94 -0.93 -4.71 119.30 119.80 1umr s MET 23 Ca 0.75 -1.19 -0.07 0.00 -1.71 0.00 0.00 55.69 53.46 1umr s MET 23 Cb -0.22 -0.03 0.12 0.00 2.01 0.00 0.00 34.83 36.71 1umr s MET 23 CO 0.32 -0.05 0.72 0.27 -0.01 0.00 0.00 175.02 176.27 1umr n ASN 24 N 0.26 0.21 0.02 3.03 2.04 -1.24 -2.28 115.26 117.29 1umr n ASN 24 Ca -0.15 -1.35 -0.19 0.00 -0.44 0.00 0.00 54.58 52.45 1umr n ASN 24 Cb 0.60 -0.53 -0.10 0.00 -2.53 0.00 0.00 39.78 37.22 1umr n ASN 24 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 1umr h TRP 25 N -1.24 1.03 0.15 -2.53 7.01 -1.77 -0.73 115.95 117.86 1umr h TRP 25 Ca -0.23 -0.53 -0.01 0.00 2.11 0.00 0.00 58.89 60.23 1umr h TRP 25 Cb 0.68 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1umr h TRP 25 CO 0.00 1.37 -0.07 0.93 -2.79 0.00 0.00 178.44 177.88 1umr h GLU 26 N 0.40 -0.19 -0.26 2.65 5.08 -1.93 0.31 114.58 120.63 1umr h GLU 26 Ca -0.11 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1umr h GLU 26 Cb 1.60 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1umr h GLU 26 CO 0.19 0.16 0.01 -0.44 -1.00 0.00 0.00 179.01 177.93 1umr h ASP 27 N -0.58 0.36 -0.26 1.42 3.32 -1.91 0.25 116.42 119.03 1umr h ASP 27 Ca -0.02 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1umr h ASP 27 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1umr h ASP 27 CO 0.03 0.42 -0.13 0.00 -1.72 0.00 0.00 179.24 177.85 1umr h ALA 28 N 1.63 0.36 -0.60 3.45 0.00 -0.84 0.26 119.26 123.52 1umr h ALA 28 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1umr h ALA 28 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1umr h ALA 28 CO 0.01 0.23 0.33 1.49 0.00 0.00 0.00 179.25 181.31 1umr h GLU 29 N 0.27 0.84 0.27 0.00 4.57 0.10 0.46 114.58 121.09 1umr h GLU 29 Ca 0.06 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1umr h GLU 29 Cb 0.64 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1umr h GLU 29 CO 0.04 0.64 -0.13 2.35 -1.18 0.00 0.00 179.01 180.73 1umr h TRP 30 N 0.82 -0.33 -0.24 0.92 7.01 -0.38 -1.19 115.95 122.56 1umr h TRP 30 Ca 0.21 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 1umr h TRP 30 Cb 0.04 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.14 1umr h TRP 30 CO -0.01 -0.07 -0.46 0.35 -2.79 0.00 0.00 178.44 175.46 1umr h PHE 31 N -0.56 -1.34 -0.93 2.65 3.04 -0.26 -1.42 116.94 118.11 1umr h PHE 31 Ca -0.04 0.06 0.28 0.00 3.98 0.00 0.00 57.97 62.25 1umr h PHE 31 Cb 0.41 0.62 -0.15 0.00 2.56 0.00 0.00 35.95 39.39 1umr h PHE 31 CO -0.00 -0.48 0.29 0.00 -2.02 0.00 0.00 178.31 176.09 1umr h THR 33 N 0.17 0.43 0.00 0.00 2.02 -0.14 -2.39 112.91 113.01 1umr h THR 33 Ca 0.62 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1umr h THR 33 Cb 1.35 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1umr h THR 33 CO -0.70 0.12 -0.58 0.11 0.37 0.00 0.00 175.52 174.83 1umr h LYS 34 N 0.00 0.00 0.00 6.66 1.57 -0.39 -3.33 116.57 121.08 1umr h LYS 34 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1umr h LYS 34 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1umr h LYS 34 CO 0.02 0.58 -0.30 1.96 -0.57 0.00 0.00 179.45 181.14 1umr h GLN 35 N 0.00 0.00 -1.58 3.15 1.08 -1.43 -3.47 115.11 112.86 1umr h GLN 35 Ca -0.01 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.37 1umr h GLN 35 Cb 1.34 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.56 1umr h GLN 35 CO 0.08 0.30 0.70 0.00 -0.95 0.00 0.00 178.83 178.96 1umr s ALA 36 N -3.53 -1.99 0.19 3.87 0.00 -1.25 -5.08 121.76 113.96 1umr s ALA 36 Ca 0.01 1.54 -0.33 0.00 0.00 0.00 0.00 51.96 53.18 1umr s ALA 36 Cb 0.10 -0.41 -0.15 0.00 0.00 0.00 0.00 23.12 22.66 1umr s ALA 36 CO 0.67 -0.47 1.28 1.63 0.00 0.00 0.00 175.76 178.86 1umr n LYS 37 N 0.21 1.49 -1.92 0.00 5.02 -1.26 -1.74 118.16 119.95 1umr n LYS 37 Ca -0.04 0.53 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1umr n LYS 37 Cb 0.59 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 1umr n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1umr n GLY 38 N 2.18 0.19 3.87 0.72 0.00 -1.26 -4.61 105.19 106.27 1umr n GLY 38 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1umr n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1umr s ALA 39 N -2.23 3.42 0.33 4.61 0.00 -0.71 -4.57 121.76 122.60 1umr s ALA 39 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1umr s ALA 39 Cb 0.00 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1umr s ALA 39 CO 0.00 0.29 0.50 -1.01 0.00 0.00 0.00 175.76 175.54 1umr s HIS 40 N -2.04 0.84 0.51 0.00 3.76 -0.27 -3.76 115.29 114.33 1umr s HIS 40 Ca 0.51 -1.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 1umr s HIS 40 Cb -0.11 0.05 -0.07 0.00 1.11 0.00 0.00 32.58 33.56 1umr s HIS 40 CO 0.23 -1.14 1.07 1.28 -0.85 0.00 0.00 174.74 175.33 1umr n LEU 41 N -0.52 3.58 -4.60 0.89 4.77 -1.26 -0.40 117.00 119.46 1umr n LEU 41 Ca -0.00 0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 56.49 1umr n LEU 41 Cb 0.62 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1umr n LEU 41 CO 0.28 -1.41 0.59 0.52 -1.33 0.00 0.00 177.39 176.04 1umr n VAL 42 N -1.00 2.16 -4.21 4.08 0.31 0.18 -4.40 118.33 115.45 1umr n VAL 42 Ca 0.11 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.64 1umr n VAL 42 Cb 0.43 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 1umr n VAL 42 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1umr s SER 43 N -0.62 4.61 -0.15 4.52 1.04 -1.26 -0.90 113.70 120.93 1umr s SER 43 Ca 0.60 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1umr s SER 43 Cb -0.62 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 64.56 1umr s SER 43 CO 0.59 0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 174.26 1umr s ILE 44 N -1.23 1.39 -0.10 -1.02 1.01 -1.26 -5.02 121.20 114.97 1umr s ILE 44 Ca 0.23 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1umr s ILE 44 Cb -0.11 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1umr s ILE 44 CO 0.15 0.33 0.79 0.29 0.00 0.00 0.00 174.94 176.49 1umr n LYS 45 N 4.81 1.13 -3.56 2.79 5.02 -1.26 -4.97 118.16 122.11 1umr n LYS 45 Ca -0.15 -1.07 -0.09 0.00 -2.02 0.00 0.00 58.31 54.98 1umr n LYS 45 Cb 0.49 -1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 1umr n LYS 45 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1umr s SER 46 N -0.56 -0.41 0.30 4.39 1.04 -1.26 -4.98 113.70 112.22 1umr s SER 46 Ca 0.02 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.34 1umr s SER 46 Cb 0.01 0.55 0.75 0.00 0.10 0.00 0.00 66.02 67.43 1umr s SER 46 CO 0.01 -0.94 1.74 0.00 0.98 0.00 0.00 173.24 175.04 1umr h ALA 47 N 2.00 1.58 -0.43 5.32 0.00 -1.99 -0.17 119.26 125.57 1umr h ALA 47 Ca -0.27 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1umr h ALA 47 Cb 1.27 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1umr h ALA 47 CO 0.32 -0.20 -0.09 0.87 0.00 0.00 0.00 179.25 180.15 1umr h LYS 48 N 0.59 0.75 -0.71 0.00 1.57 -1.99 -2.02 116.57 114.76 1umr h LYS 48 Ca 0.58 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1umr h LYS 48 Cb 1.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1umr h LYS 48 CO -0.45 0.83 0.21 1.49 -0.57 0.00 0.00 179.45 180.95 1umr h GLU 49 N 0.69 1.10 -0.06 3.15 4.81 -1.65 -1.52 114.58 121.11 1umr h GLU 49 Ca 0.12 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1umr h GLU 49 Cb 0.56 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1umr h GLU 49 CO 0.03 0.95 -0.08 0.00 -0.73 0.00 0.00 179.01 179.18 1umr h ALA 50 N 1.16 -0.04 -0.09 2.92 0.00 -0.89 -0.38 119.26 121.94 1umr h ALA 50 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1umr h ALA 50 Cb 0.32 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1umr h ALA 50 CO -0.00 -0.56 0.03 0.22 0.00 0.00 0.00 179.25 178.94 1umr h ASP 51 N -0.12 0.13 -0.50 0.00 -0.00 -1.40 0.15 116.42 114.69 1umr h ASP 51 Ca 0.05 -0.20 0.09 0.00 -0.00 0.00 0.00 57.03 56.97 1umr h ASP 51 Cb 0.19 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.33 39.41 1umr h ASP 51 CO -0.13 0.29 0.07 0.15 -0.00 0.00 0.00 179.24 179.63 1umr h PHE 52 N -0.04 0.11 -0.26 0.28 3.57 -0.97 -1.00 116.94 118.64 1umr h PHE 52 Ca 0.03 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 1umr h PHE 52 Cb 0.21 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1umr h PHE 52 CO -0.00 -0.04 -0.50 0.28 -2.23 0.00 0.00 178.31 175.81 1umr h VAL 53 N 0.20 1.29 -0.09 1.41 2.07 -0.71 -0.01 116.25 120.42 1umr h VAL 53 Ca 0.25 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 66.11 1umr h VAL 53 Cb 0.35 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1umr h VAL 53 CO -0.35 0.55 -0.35 0.00 0.02 0.00 0.00 177.57 177.44 1umr h ALA 54 N 0.65 -0.47 -0.33 1.67 0.00 -0.61 0.45 119.26 120.63 1umr h ALA 54 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1umr h ALA 54 Cb 1.11 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 1umr h ALA 54 CO 0.11 -0.85 -0.18 2.35 0.00 0.00 0.00 179.25 180.69 1umr h TRP 55 N -0.45 -0.45 -0.51 0.00 7.01 -0.89 -0.46 115.95 120.20 1umr h TRP 55 Ca 0.08 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 1umr h TRP 55 Cb 0.58 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.87 1umr h TRP 55 CO -0.41 -0.26 0.11 1.98 -2.79 0.00 0.00 178.44 177.08 1umr h MET 56 N -0.13 0.83 0.17 2.65 4.05 -0.38 -2.47 114.93 119.65 1umr h MET 56 Ca 0.17 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1umr h MET 56 Cb 0.39 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1umr h MET 56 CO -0.41 0.80 -0.12 0.28 0.23 0.00 0.00 176.91 177.70 1umr h VAL 57 N 0.72 0.00 -0.37 -5.77 2.07 0.91 -2.86 116.25 110.94 1umr h VAL 57 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1umr h VAL 57 Cb 0.36 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1umr h VAL 57 CO 0.00 0.00 -0.12 0.41 0.02 0.00 0.00 177.57 177.88 1umr n THR 58 N -2.93 -0.18 0.82 2.57 -1.04 -0.28 -1.12 114.28 112.12 1umr n THR 58 Ca -0.03 0.87 0.10 0.00 -2.04 0.00 0.00 64.05 62.95 1umr n THR 58 Cb 0.12 -1.17 0.48 0.00 -1.82 0.00 0.00 70.33 67.94 1umr n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1umr n GLN 59 N -4.58 0.10 0.00 -2.82 1.13 -0.94 -4.14 117.38 106.14 1umr n GLN 59 Ca 0.05 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1umr n GLN 59 Cb 0.17 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1umr n GLN 59 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1umr n ASN 60 N -1.43 1.14 -4.78 1.08 3.02 -0.28 -5.06 115.26 108.95 1umr n ASN 60 Ca 0.07 -0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 1umr n ASN 60 Cb 0.22 0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1umr n ASN 60 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1umr s ILE 61 N -0.55 3.81 0.57 2.41 2.07 -0.37 -4.94 121.20 124.19 1umr s ILE 61 Ca 0.00 1.41 -0.18 0.00 -1.41 0.00 0.00 60.65 60.47 1umr s ILE 61 Cb 0.00 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.80 1umr s ILE 61 CO 0.00 0.03 1.11 -1.61 -1.91 0.00 0.00 174.94 172.56 1umr s GLU 62 N -2.41 3.26 0.36 3.50 2.02 -1.26 -4.96 118.70 119.21 1umr s GLU 62 Ca 0.56 1.50 0.03 0.00 0.02 0.00 0.00 54.97 57.09 1umr s GLU 62 Cb -0.21 -2.00 0.66 0.00 0.10 0.00 0.00 34.13 32.68 1umr s GLU 62 CO 0.27 -0.90 2.00 1.49 0.02 0.00 0.00 175.26 178.14 1umr h GLU 63 N 0.90 0.76 0.00 1.61 4.57 -1.99 -2.32 114.58 118.10 1umr h GLU 63 Ca -0.49 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.59 1umr h GLU 63 Cb 1.25 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1umr h GLU 63 CO 0.56 0.53 -0.19 0.66 -1.18 0.00 0.00 179.01 179.39 1umr h SER 64 N 0.77 0.00 -3.58 1.04 4.64 -2.05 -3.45 113.55 110.93 1umr h SER 64 Ca 0.20 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.01 1umr h SER 64 Cb -0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1umr h SER 64 CO -0.04 0.19 0.09 -0.36 -0.87 0.00 0.00 176.83 175.84 1umr s PHE 65 N -3.97 3.60 0.00 4.77 2.99 -0.87 -4.97 117.98 119.53 1umr s PHE 65 Ca -0.01 1.34 0.00 0.00 0.00 0.00 0.00 56.93 58.25 1umr s PHE 65 Cb 0.12 -2.59 0.00 0.00 0.00 0.00 0.00 43.02 40.55 1umr s PHE 65 CO 0.62 0.30 0.02 0.43 -0.00 0.00 0.00 175.22 176.59 1umr n SER 66 N 0.55 0.03 -4.26 1.36 7.64 -1.26 -4.84 113.62 112.84 1umr n SER 66 Ca -0.02 -0.29 -0.30 0.00 1.01 0.00 0.00 58.87 59.27 1umr n SER 66 Cb 0.51 0.10 -0.16 0.00 -1.01 0.00 0.00 64.21 63.65 1umr n SER 66 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1umr s HIS 67 N -0.10 2.21 -0.06 1.43 3.76 -1.26 -0.75 115.29 120.53 1umr s HIS 67 Ca 0.00 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1umr s HIS 67 Cb 0.00 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.26 1umr s HIS 67 CO 0.00 -0.12 -0.12 0.08 -0.85 0.00 0.00 174.74 173.73 1umr s VAL 68 N -0.35 1.12 0.37 -0.90 1.01 0.18 -3.99 120.40 117.85 1umr s VAL 68 Ca 0.03 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1umr s VAL 68 Cb -0.11 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1umr s VAL 68 CO 0.01 0.35 1.21 -0.44 0.00 0.00 0.00 175.10 176.23 1umr s SER 69 N 0.61 6.65 0.28 3.32 0.01 0.33 0.23 113.70 125.12 1umr s SER 69 Ca -0.13 2.45 0.02 0.00 1.31 0.00 0.00 55.95 59.59 1umr s SER 69 Cb -0.15 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 1umr s SER 69 CO 0.03 -0.60 0.06 2.30 0.41 0.00 0.00 173.24 175.45 1umr n ILE 70 N 0.39 0.00 -0.94 1.44 -5.35 -0.72 -3.22 119.36 110.96 1umr n ILE 70 Ca 0.03 -1.51 0.01 0.00 -0.27 0.00 0.00 62.75 61.01 1umr n ILE 70 Cb 0.45 0.46 0.36 0.00 -1.74 0.00 0.00 39.64 39.17 1umr n ILE 70 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1umr n GLY 71 N 0.63 3.24 3.68 3.28 0.00 -0.08 -4.52 105.19 111.42 1umr n GLY 71 Ca -0.07 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1umr n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umr s LEU 72 N -2.83 4.17 0.01 0.99 1.43 -1.26 -4.98 118.68 116.20 1umr s LEU 72 Ca 0.54 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1umr s LEU 72 Cb 0.42 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1umr s LEU 72 CO 0.15 -0.04 -0.00 -0.60 0.23 0.00 0.00 176.35 176.09 1umr s ARG 73 N 1.17 0.16 0.11 1.70 3.52 -1.26 -3.56 118.95 120.80 1umr s ARG 73 Ca 0.18 -0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 1umr s ARG 73 Cb -0.14 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.23 1umr s ARG 73 CO 0.07 -0.03 1.33 0.08 -0.81 0.00 0.00 175.30 175.94 1umr s VAL 74 N -0.69 3.48 -0.13 7.11 1.01 -0.42 -4.94 120.40 125.82 1umr s VAL 74 Ca -0.08 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.17 1umr s VAL 74 Cb -0.05 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.46 1umr s VAL 74 CO -0.00 0.10 0.65 0.00 0.00 0.00 0.00 175.10 175.84 1umr n GLN 75 N 3.75 0.64 -1.62 2.72 1.13 -1.26 -4.93 117.38 117.80 1umr n GLN 75 Ca 0.10 0.08 -0.47 0.00 -1.94 0.00 0.00 57.00 54.77 1umr n GLN 75 Cb 0.43 -1.70 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1umr n GLN 75 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1umr n ASN 76 N -2.70 1.97 0.10 1.08 5.03 -1.26 -4.92 115.26 114.56 1umr n ASN 76 Ca -0.11 1.15 -0.03 0.00 0.87 0.00 0.00 54.58 56.45 1umr n ASN 76 Cb 0.80 -1.32 -0.01 0.00 -1.02 0.00 0.00 39.78 38.23 1umr n ASN 76 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1umr h LYS 77 N 3.58 0.00 -7.11 3.52 1.57 -1.95 -3.47 116.57 112.70 1umr h LYS 77 Ca -0.44 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 57.90 1umr h LYS 77 Cb 1.31 0.00 0.22 0.00 0.08 0.00 0.00 32.23 33.84 1umr h LYS 77 CO 0.71 0.79 -0.05 0.39 -0.57 0.00 0.00 179.45 180.72 1umr n GLU 78 N -3.40 -2.33 0.08 3.15 4.71 -1.26 -4.92 120.64 116.66 1umr n GLU 78 Ca 0.00 -0.65 -0.02 0.00 -0.01 0.00 0.00 57.16 56.48 1umr n GLU 78 Cb 0.82 -2.16 0.22 0.00 -1.01 0.00 0.00 31.44 29.31 1umr n GLU 78 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1umr h LYS 79 N -2.62 0.30 0.00 3.49 1.57 -1.96 -3.45 116.57 113.90 1umr h LYS 79 Ca -0.60 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 57.81 1umr h LYS 79 Cb 1.33 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 1umr h LYS 79 CO 0.48 0.63 -0.10 0.00 -0.57 0.00 0.00 179.45 179.89 1umr n GLN 80 N -4.06 0.65 0.00 3.15 -0.00 -1.26 -4.86 117.38 111.01 1umr n GLN 80 Ca -0.01 -2.44 0.03 0.00 -0.00 0.00 0.00 57.00 54.57 1umr n GLN 80 Cb 0.46 2.40 0.02 0.00 -0.00 0.00 0.00 30.24 33.12 1umr n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1umr s SER 82 N -0.48 6.89 0.02 0.00 0.15 -1.26 -4.88 113.70 114.14 1umr s SER 82 Ca 0.07 2.08 0.22 0.00 0.70 0.00 0.00 55.95 59.02 1umr s SER 82 Cb 0.05 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.65 1umr s SER 82 CO 0.07 -0.68 0.82 0.35 1.20 0.00 0.00 173.24 175.00 1umr n THR 83 N 4.55 0.11 -4.36 6.45 -2.24 -1.26 -4.76 114.28 112.77 1umr n THR 83 Ca 0.12 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1umr n THR 83 Cb 0.44 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 1umr n THR 83 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1umr s LYS 84 N -3.27 1.36 0.60 -0.78 1.02 -1.26 -0.60 119.74 116.81 1umr s LYS 84 Ca 0.00 -1.61 0.08 0.00 0.02 0.00 0.00 55.97 54.46 1umr s LYS 84 Cb 0.14 -1.17 0.10 0.00 -0.52 0.00 0.00 37.83 36.38 1umr s LYS 84 CO 0.85 0.19 0.83 -1.58 -0.92 0.00 0.00 175.35 174.73 1umr s TRP 85 N -2.94 1.43 -0.69 3.18 0.52 0.12 -4.80 118.94 115.76 1umr s TRP 85 Ca 0.23 -0.64 0.26 0.00 0.02 0.00 0.00 56.10 55.97 1umr s TRP 85 Cb -0.01 -2.36 0.81 0.00 -1.15 0.00 0.00 33.47 30.76 1umr s TRP 85 CO 0.08 -1.27 1.77 0.66 0.02 0.00 0.00 176.95 178.20 1umr h SER 86 N 0.04 0.00 -0.15 2.95 4.64 -2.02 -0.62 113.55 118.39 1umr h SER 86 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1umr h SER 86 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1umr h SER 86 CO 0.40 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.46 1umr n ASP 87 N -2.30 1.43 0.00 4.97 3.85 -1.26 -4.88 116.55 118.36 1umr n ASP 87 Ca 0.05 -2.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.03 1umr n ASP 87 Cb 0.42 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1umr n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1umr n GLY 88 N 0.46 2.98 3.85 6.12 0.00 -0.24 -5.01 105.19 113.36 1umr n GLY 88 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1umr n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1umr s SER 89 N -1.55 5.35 0.16 1.61 1.04 -1.26 -4.71 113.70 114.34 1umr s SER 89 Ca 0.00 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 57.60 1umr s SER 89 Cb 0.00 -2.12 -0.07 0.00 0.10 0.00 0.00 66.02 63.93 1umr s SER 89 CO 0.00 -1.42 0.51 -0.55 0.98 0.00 0.00 173.24 172.76 1umr s SER 90 N -4.15 6.72 -0.78 7.02 0.15 -1.26 0.15 113.70 121.55 1umr s SER 90 Ca 0.58 0.96 -0.20 0.00 0.70 0.00 0.00 55.95 57.99 1umr s SER 90 Cb -0.12 -2.24 0.11 0.00 -1.71 0.00 0.00 66.02 62.06 1umr s SER 90 CO 0.53 0.06 0.98 -0.69 1.20 0.00 0.00 173.24 175.32 1umr s VAL 91 N -1.56 4.67 -0.03 4.45 1.01 0.23 -4.68 120.40 124.48 1umr s VAL 91 Ca 0.40 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1umr s VAL 91 Cb -0.14 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 1umr s VAL 91 CO 0.20 -1.40 0.04 -1.54 0.00 0.00 0.00 175.10 172.40 1umr n SER 92 N 6.73 2.78 -4.32 3.32 3.41 -1.26 -4.93 113.62 119.35 1umr n SER 92 Ca 0.08 -0.22 -0.31 0.00 -0.26 0.00 0.00 58.87 58.16 1umr n SER 92 Cb 0.47 1.04 -0.16 0.00 -0.26 0.00 0.00 64.21 65.29 1umr n SER 92 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1umr s TYR 93 N -1.69 2.37 -0.29 7.33 6.14 -1.26 -5.12 117.35 124.83 1umr s TYR 93 Ca -0.00 -0.44 -0.04 0.00 0.64 0.00 0.00 57.07 57.22 1umr s TYR 93 Cb 0.01 -1.52 0.16 0.00 0.42 0.00 0.00 41.96 41.03 1umr s TYR 93 CO 0.05 -0.04 0.60 0.34 0.64 0.00 0.00 175.55 177.14 1umr s ASP 94 N -0.58 -1.17 -0.17 4.32 -1.08 -1.26 -5.00 116.67 111.73 1umr s ASP 94 Ca 0.09 1.08 0.17 0.00 -0.52 0.00 0.00 52.55 53.37 1umr s ASP 94 Cb -0.10 2.12 0.45 0.00 -1.46 0.00 0.00 42.92 43.92 1umr s ASP 94 CO -0.00 -0.25 1.33 0.59 0.52 0.00 0.00 175.17 177.36 1umr n ASN 95 N 5.43 3.21 -4.57 -0.34 3.02 -1.26 -5.03 115.26 115.72 1umr n ASN 95 Ca -0.05 -3.13 -0.46 0.00 -0.03 0.00 0.00 54.58 50.91 1umr n ASN 95 Cb 0.50 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1umr n ASN 95 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1umr n LEU 96 N -0.89 1.54 -4.71 3.41 7.94 -1.26 -4.90 117.00 118.13 1umr n LEU 96 Ca 0.20 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.85 1umr n LEU 96 Cb 0.82 -1.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.49 1umr n LEU 96 CO 0.10 -1.47 0.89 -0.76 -1.11 0.00 0.00 177.39 175.04 1umr s LEU 97 N 0.68 4.37 0.20 -1.96 1.43 -1.26 -4.93 118.68 117.21 1umr s LEU 97 Ca 0.63 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1umr s LEU 97 Cb -0.75 -3.58 0.35 0.00 0.03 0.00 0.00 46.19 42.23 1umr s LEU 97 CO 0.58 -0.47 1.13 0.47 0.23 0.00 0.00 176.35 178.29 1umr n ASP 98 N 3.85 -0.25 0.13 2.29 9.92 -1.26 0.22 116.55 131.46 1umr n ASP 98 Ca 0.09 1.25 0.11 0.00 -0.53 0.00 0.00 54.79 55.71 1umr n ASP 98 Cb 0.46 -0.38 0.50 0.00 -0.64 0.00 0.00 41.12 41.06 1umr n ASP 98 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1umr n LEU 99 N -5.18 0.58 -0.94 0.64 7.94 -1.26 -1.05 117.00 117.73 1umr n LEU 99 Ca 0.12 0.68 0.10 0.00 -1.11 0.00 0.00 56.01 55.81 1umr n LEU 99 Cb 0.37 -0.66 0.15 0.00 0.53 0.00 0.00 43.42 43.82 1umr n LEU 99 CO -0.09 -0.68 0.63 -1.22 -1.11 0.00 0.00 177.39 174.93 1umr n TYR 100 N -2.18 0.27 -2.71 1.96 4.02 0.61 -4.89 117.16 114.23 1umr n TYR 100 Ca 0.01 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.90 57.32 1umr n TYR 100 Cb 0.15 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1umr n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1umr s ILE 101 N -1.51 4.53 -0.55 -0.72 1.01 -0.21 -4.95 121.20 118.81 1umr s ILE 101 Ca 0.30 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1umr s ILE 101 Cb 0.19 -4.39 0.14 0.00 0.01 0.00 0.00 42.46 38.41 1umr s ILE 101 CO 0.27 -0.52 0.31 0.42 0.00 0.00 0.00 174.94 175.42 1umr s THR 102 N 3.61 2.93 -2.11 2.92 -4.23 -1.26 -4.38 115.64 113.11 1umr s THR 102 Ca 0.43 -3.19 0.18 0.00 -1.18 0.00 0.00 61.69 57.92 1umr s THR 102 Cb -0.12 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.96 1umr s THR 102 CO 0.17 -0.82 1.15 0.29 -0.54 0.00 0.00 174.62 174.88 1umr n LYS 103 N 3.25 1.82 -0.98 3.99 5.02 -1.08 -4.34 118.16 125.83 1umr n LYS 103 Ca 0.06 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 1umr n LYS 103 Cb 0.34 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1umr n LYS 103 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1umr s SER 105 N -0.56 -0.46 0.15 0.00 1.04 -1.23 -1.52 113.70 111.12 1umr s SER 105 Ca 0.00 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.14 1umr s SER 105 Cb 0.00 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.73 1umr s SER 105 CO 0.00 -0.91 0.56 -1.48 0.98 0.00 0.00 173.24 172.39 1umr s LEU 106 N -2.69 -0.36 0.12 2.42 2.34 -0.33 -1.76 118.68 118.43 1umr s LEU 106 Ca 0.01 -0.06 0.03 0.00 0.06 0.00 0.00 54.13 54.17 1umr s LEU 106 Cb -0.00 2.43 -0.04 0.00 -0.56 0.00 0.00 46.19 48.02 1umr s LEU 106 CO -0.12 -0.94 0.17 -0.76 -1.06 0.00 0.00 176.35 173.64 1umr s LEU 107 N -2.74 4.03 -0.05 1.48 1.02 0.13 -2.02 118.68 120.53 1umr s LEU 107 Ca 0.01 0.05 0.06 0.00 0.02 0.00 0.00 54.13 54.27 1umr s LEU 107 Cb -0.00 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 1umr s LEU 107 CO -0.13 0.12 -0.24 -0.54 0.02 0.00 0.00 176.35 175.58 1umr s LYS 108 N -2.81 2.41 0.14 1.70 1.02 -1.26 0.47 119.74 121.42 1umr s LYS 108 Ca 0.32 -0.87 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 1umr s LYS 108 Cb -0.11 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1umr s LYS 108 CO 0.25 0.38 1.68 -0.22 -0.92 0.00 0.00 175.35 176.52 1umr h LYS 109 N 6.02 -0.07 -1.72 1.68 3.64 -1.32 -0.97 116.57 123.83 1umr h LYS 109 Ca -0.33 0.00 0.50 0.00 -1.27 0.00 0.00 60.65 59.55 1umr h LYS 109 Cb 1.17 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1umr h LYS 109 CO 0.47 -0.05 1.27 0.39 -2.27 0.00 0.00 179.45 179.27 1umr n GLU 110 N -5.27 0.00 -0.02 1.90 4.71 -1.26 -0.97 120.64 119.73 1umr n GLU 110 Ca -0.01 0.97 0.02 0.00 -0.01 0.00 0.00 57.16 58.13 1umr n GLU 110 Cb 0.19 -2.26 0.03 0.00 -1.01 0.00 0.00 31.44 28.39 1umr n GLU 110 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1umr n THR 111 N -3.67 1.19 -1.09 2.62 5.66 -0.58 -4.94 114.28 113.47 1umr n THR 111 Ca 0.39 -1.27 -0.03 0.00 -3.05 0.00 0.00 64.05 60.09 1umr n THR 111 Cb 1.79 0.34 -0.01 0.00 -1.55 0.00 0.00 70.33 70.90 1umr n THR 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1umr n GLY 112 N -0.68 0.62 3.32 1.09 0.00 -0.14 -3.25 105.19 106.16 1umr n GLY 112 Ca 0.04 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1umr n GLY 112 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1umr n PHE 113 N -2.85 -2.33 0.06 1.61 3.01 -0.47 -4.75 117.46 111.74 1umr n PHE 113 Ca -0.03 0.73 0.01 0.00 1.01 0.00 0.00 57.45 59.17 1umr n PHE 113 Cb 0.13 -4.58 -0.01 0.00 -0.01 0.00 0.00 39.48 35.01 1umr n PHE 113 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1umr n ARG 114 N -4.43 5.65 -4.63 -1.08 5.12 -1.20 -4.49 116.66 111.60 1umr n ARG 114 Ca -0.05 -0.07 -0.29 0.00 -1.93 0.00 0.00 57.85 55.51 1umr n ARG 114 Cb 0.59 -0.62 -0.08 0.00 -1.16 0.00 0.00 32.46 31.19 1umr n ARG 114 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1umr s LYS 115 N -1.01 2.06 -0.14 5.56 1.02 -1.26 -5.08 119.74 120.89 1umr s LYS 115 Ca 0.01 -2.29 -0.14 0.00 0.02 0.00 0.00 55.97 53.57 1umr s LYS 115 Cb 0.01 -1.01 -0.05 0.00 -0.52 0.00 0.00 37.83 36.27 1umr s LYS 115 CO 0.05 -0.44 0.30 -1.58 -0.92 0.00 0.00 175.35 172.76 1umr s TRP 116 N -3.06 3.50 -0.04 3.18 0.51 -1.26 -4.47 118.94 117.31 1umr s TRP 116 Ca 0.15 0.65 0.07 0.00 -2.12 0.00 0.00 56.10 54.84 1umr s TRP 116 Cb 0.02 -2.32 -0.02 0.00 -0.81 0.00 0.00 33.47 30.35 1umr s TRP 116 CO 0.09 0.31 -0.25 -0.06 -0.51 0.00 0.00 176.95 176.54 1umr s PHE 117 N 0.20 2.40 0.49 -1.98 0.08 -0.86 -5.00 117.98 113.32 1umr s PHE 117 Ca 0.18 -0.55 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 1umr s PHE 117 Cb -0.13 -1.55 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 1umr s PHE 117 CO 0.05 -0.11 1.16 0.08 -0.10 0.00 0.00 175.22 176.30 1umr s VAL 118 N -0.41 3.10 0.09 -0.44 1.01 -1.26 -1.18 120.40 121.30 1umr s VAL 118 Ca 0.04 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 62.55 1umr s VAL 118 Cb -0.12 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1umr s VAL 118 CO 0.01 -0.06 0.61 0.00 0.00 0.00 0.00 175.10 175.66 1umr s ALA 119 N -1.61 -1.60 0.37 5.51 0.00 -0.57 -4.85 121.76 119.01 1umr s ALA 119 Ca 0.67 0.73 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 1umr s ALA 119 Cb -0.27 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 1umr s ALA 119 CO 0.32 -0.62 1.30 0.45 0.00 0.00 0.00 175.76 177.22 1umr s SER 120 N -2.21 6.54 0.00 0.00 0.15 -1.26 -0.40 113.70 116.52 1umr s SER 120 Ca -0.03 2.67 0.18 0.00 0.70 0.00 0.00 55.95 59.46 1umr s SER 120 Cb -0.01 -2.64 1.02 0.00 -1.71 0.00 0.00 66.02 62.68 1umr s SER 120 CO -0.05 -0.69 1.66 0.00 1.20 0.00 0.00 173.24 175.36 1umr n ILE 122 N -0.70 0.32 -1.76 0.00 -5.35 -1.26 -3.40 119.36 107.21 1umr n ILE 122 Ca 0.13 -0.66 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 1umr n ILE 122 Cb 0.08 1.01 0.01 0.00 -1.74 0.00 0.00 39.64 39.00 1umr n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1umr n GLY 123 N 0.68 1.00 3.31 3.28 0.00 -1.20 -4.77 105.19 107.49 1umr n GLY 123 Ca 0.09 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1umr n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umr s LYS 124 N -2.25 2.69 0.09 1.61 1.02 -1.26 -3.70 119.74 117.93 1umr s LYS 124 Ca 0.58 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 1umr s LYS 124 Cb -0.47 -3.62 0.01 0.00 -0.52 0.00 0.00 37.83 33.23 1umr s LYS 124 CO 0.60 -0.73 0.25 0.96 -0.92 0.00 0.00 175.35 175.51 1umr s ILE 125 N 1.46 0.12 1.21 2.17 -4.36 -0.97 -4.69 121.20 116.15 1umr s ILE 125 Ca 0.01 -0.95 -0.14 0.00 -0.26 0.00 0.00 60.65 59.30 1umr s ILE 125 Cb -0.20 -1.22 0.30 0.00 1.25 0.00 0.00 42.46 42.60 1umr s ILE 125 CO 0.04 -0.53 1.01 -2.16 0.24 0.00 0.00 174.94 173.55 1umr s PRO 126 N -3.58 -1.32 0.25 0.37 0.04 -1.22 -2.18 135.00 127.36 1umr s PRO 126 Ca 0.02 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 1umr s PRO 126 Cb 0.03 -1.52 0.03 0.00 0.04 0.00 0.00 34.50 33.08 1umr s PRO 126 CO -0.10 -3.95 0.65 -0.59 0.04 0.00 0.00 177.00 173.06 1umr s PHE 127 N -2.44 -0.19 -0.16 0.56 -0.71 -1.03 -0.52 117.98 113.48 1umr s PHE 127 Ca 0.68 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 1umr s PHE 127 Cb -0.23 0.60 0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1umr s PHE 127 CO 0.64 -1.11 -0.18 0.08 -1.34 0.00 0.00 175.22 173.31 1umr s VAL 128 N -3.89 2.37 0.44 -2.49 1.01 -1.20 -1.01 120.40 115.62 1umr s VAL 128 Ca 0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1umr s VAL 128 Cb -0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1umr s VAL 128 CO 0.02 0.53 0.73 0.00 0.00 0.00 0.00 175.10 176.39 1umr s LYS 130 N -4.55 0.28 0.15 0.00 2.20 0.47 -1.61 119.74 116.67 1umr s LYS 130 Ca 0.46 0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 56.38 1umr s LYS 130 Cb -0.10 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1umr s LYS 130 CO 0.42 -0.09 0.43 -0.59 -0.36 0.00 0.00 175.35 175.15 1umr s PHE 131 N 0.66 -0.14 -0.29 4.03 -0.71 -0.66 -1.11 117.98 119.76 1umr s PHE 131 Ca -0.04 -0.19 -0.11 0.00 -1.04 0.00 0.00 56.93 55.55 1umr s PHE 131 Cb -0.06 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1umr s PHE 131 CO -0.04 -0.77 0.18 -1.25 -1.34 0.00 0.00 175.22 172.01 1umr s PRO 132 N -3.83 3.83 0.80 1.99 0.04 -1.26 -0.12 135.00 136.44 1umr s PRO 132 Ca 0.06 -0.40 -0.11 0.00 0.04 0.00 0.00 61.00 60.59 1umr s PRO 132 Cb 0.01 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.97 1umr s PRO 132 CO -0.09 -0.23 1.09 -1.25 0.04 0.00 0.00 177.00 176.56 1umr s PRO 133 N 1.74 2.10 -0.08 0.56 0.04 -1.26 -4.96 135.00 133.15 1umr s PRO 133 Ca 0.07 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 1umr s PRO 133 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1umr s PRO 133 CO 0.10 -1.64 0.01 -0.65 0.04 0.00 0.00 177.00 174.85 1umr s GLN 134 N -5.07 2.97 0.00 4.56 -0.21 -1.26 -5.04 119.66 115.60 1umr s GLN 134 Ca 0.61 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1umr s GLN 134 Cb -0.15 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1umr s GLN 134 CO 0.55 0.70 0.38 0.00 -2.12 0.00 0.00 175.29 174.79