#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eei n PRO 2 N 0.00 0.71 0.00 -2.82 -0.04 -1.26 -4.94 135.00 126.65 1eei n PRO 2 Ca 0.00 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1eei n PRO 2 Cb 0.00 -2.50 0.04 0.00 -0.04 0.00 0.00 33.50 31.01 1eei n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1eei n GLN 3 N -2.52 1.01 -3.80 0.54 6.02 -1.26 -4.98 117.38 112.39 1eei n GLN 3 Ca 0.15 -1.18 -0.08 0.00 -0.01 0.00 0.00 57.00 55.88 1eei n GLN 3 Cb 0.49 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.49 1eei n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1eei s ASN 4 N -1.18 -0.30 0.29 1.08 2.20 -1.26 -5.05 114.94 110.72 1eei s ASN 4 Ca 0.14 -0.53 -0.02 0.00 -0.94 0.00 0.00 52.86 51.51 1eei s ASN 4 Cb 0.11 0.71 0.43 0.00 -2.00 0.00 0.00 41.25 40.49 1eei s ASN 4 CO 0.19 -1.29 1.94 -0.29 -2.94 0.00 0.00 177.10 174.70 1eei h ILE 5 N 2.01 1.22 0.00 0.54 2.10 -1.96 -2.12 117.51 119.30 1eei h ILE 5 Ca -0.21 -0.48 -0.00 0.00 1.08 0.00 0.00 64.86 65.25 1eei h ILE 5 Cb 1.26 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1eei h ILE 5 CO 0.25 0.23 -0.00 0.74 -1.08 0.00 0.00 178.15 178.29 1eei h THR 6 N 1.06 1.17 -0.88 2.19 2.02 -1.99 0.76 112.91 117.24 1eei h THR 6 Ca 0.28 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1eei h THR 6 Cb -0.04 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1eei h THR 6 CO -0.05 0.14 0.50 0.44 0.37 0.00 0.00 175.52 176.92 1eei h ASP 7 N -0.23 1.08 -0.45 4.18 3.32 -1.96 -2.10 116.42 120.25 1eei h ASP 7 Ca -0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1eei h ASP 7 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1eei h ASP 7 CO 0.00 0.85 0.16 0.25 -1.72 0.00 0.00 179.24 178.78 1eei h LEU 8 N 1.22 0.65 -0.89 1.55 6.46 -1.15 -2.86 115.31 120.28 1eei h LEU 8 Ca 0.31 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1eei h LEU 8 Cb -0.01 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.70 1eei h LEU 8 CO -0.05 0.66 0.57 0.00 -0.62 0.00 0.00 178.44 179.00 1eei n ALA 10 N -2.35 1.08 1.77 0.00 0.00 -0.82 -2.06 120.51 118.13 1eei n ALA 10 Ca 0.11 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1eei n ALA 10 Cb 0.08 -1.28 0.68 0.00 0.00 0.00 0.00 19.45 18.94 1eei n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1eei n GLU 11 N -2.15 1.27 -4.35 0.00 1.02 -0.92 -4.87 120.64 110.64 1eei n GLU 11 Ca -0.01 -0.40 -0.24 0.00 -0.02 0.00 0.00 57.16 56.49 1eei n GLU 11 Cb 0.04 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 1eei n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eei s TYR 12 N -1.97 2.00 0.51 -0.32 1.51 -0.87 -5.13 117.35 113.08 1eei s TYR 12 Ca 0.39 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.86 1eei s TYR 12 Cb 0.19 -1.03 -0.07 0.00 -0.11 0.00 0.00 41.96 40.94 1eei s TYR 12 CO 0.31 0.35 1.01 -1.01 -1.11 0.00 0.00 175.55 175.10 1eei s HIS 13 N -1.63 3.22 -0.64 2.71 3.76 -1.26 -4.27 115.29 117.17 1eei s HIS 13 Ca 0.15 1.53 -0.09 0.00 -0.15 0.00 0.00 55.06 56.50 1eei s HIS 13 Cb -0.08 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.71 1eei s HIS 13 CO 0.07 -0.61 0.42 0.27 -0.85 0.00 0.00 174.74 174.04 1eei n ASN 14 N -1.41 -3.01 -4.22 1.40 0.23 -1.26 -4.87 115.26 102.11 1eei n ASN 14 Ca 0.08 -0.74 -0.13 0.00 -0.53 0.00 0.00 54.58 53.26 1eei n ASN 14 Cb 0.53 -1.05 -0.10 0.00 -2.08 0.00 0.00 39.78 37.08 1eei n ASN 14 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1eei s THR 15 N -3.14 1.02 0.06 5.53 -4.23 -1.26 -0.88 115.64 112.74 1eei s THR 15 Ca 0.12 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.36 1eei s THR 15 Cb -0.07 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 72.05 1eei s THR 15 CO 0.62 -0.78 0.60 0.00 -0.54 0.00 0.00 174.62 174.51 1eei s GLN 16 N -3.76 1.14 -0.01 3.99 -2.07 -0.25 -4.83 119.66 113.87 1eei s GLN 16 Ca 0.15 -0.18 -0.12 0.00 -1.82 0.00 0.00 55.36 53.39 1eei s GLN 16 Cb 0.03 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.43 1eei s GLN 16 CO -0.01 -0.44 0.34 0.42 -1.32 0.00 0.00 175.29 174.28 1eei s ILE 17 N -2.59 5.16 -0.20 3.63 -1.09 -1.26 -1.52 121.20 123.33 1eei s ILE 17 Ca -0.04 0.59 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 1eei s ILE 17 Cb -0.01 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1eei s ILE 17 CO -0.03 0.52 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.07 1eei s HIS 18 N -1.14 2.58 -0.26 3.97 3.76 -0.17 -4.98 115.29 119.05 1eei s HIS 18 Ca 0.24 -1.65 -0.21 0.00 -0.15 0.00 0.00 55.06 53.29 1eei s HIS 18 Cb -0.15 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1eei s HIS 18 CO 0.12 -0.77 0.65 0.99 -0.85 0.00 0.00 174.74 174.89 1eei s THR 19 N 1.34 4.96 -0.15 1.30 2.01 -1.26 -1.43 115.64 122.42 1eei s THR 19 Ca -0.00 1.17 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 1eei s THR 19 Cb -0.16 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 1eei s THR 19 CO -0.09 0.00 -0.16 0.18 -0.69 0.00 0.00 174.62 173.87 1eei n LEU 20 N 5.76 2.38 -4.17 4.42 7.99 0.59 -5.01 117.00 128.97 1eei n LEU 20 Ca 0.00 0.01 -0.42 0.00 -0.01 0.00 0.00 56.01 55.59 1eei n LEU 20 Cb 0.49 -0.51 -0.02 0.00 -0.11 0.00 0.00 43.42 43.27 1eei n LEU 20 CO 0.44 0.62 -0.27 0.59 -1.51 0.00 0.00 177.39 177.25 1eei n ASN 21 N -3.19 -2.46 -3.48 -1.43 5.03 0.17 -4.93 115.26 104.96 1eei n ASN 21 Ca -0.28 -1.30 -0.12 0.00 0.87 0.00 0.00 54.58 53.75 1eei n ASN 21 Cb 0.76 -1.57 -0.03 0.00 -1.02 0.00 0.00 39.78 37.92 1eei n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1eei s ASP 22 N -3.81 -0.50 0.73 6.41 2.15 -0.34 -4.86 116.67 116.46 1eei s ASP 22 Ca 0.34 0.14 -0.11 0.00 0.43 0.00 0.00 52.55 53.35 1eei s ASP 22 Cb -0.19 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 42.95 1eei s ASP 22 CO 0.98 -0.75 1.07 -1.59 -0.17 0.00 0.00 175.17 174.71 1eei s LYS 23 N -2.95 2.65 0.07 4.34 -2.85 -1.26 -0.63 119.74 119.11 1eei s LYS 23 Ca 0.00 0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 55.51 1eei s LYS 23 Cb -0.01 -1.97 -0.06 0.00 -2.06 0.00 0.00 37.83 33.73 1eei s LYS 23 CO -0.07 -1.27 1.27 0.42 0.10 0.00 0.00 175.35 175.80 1eei s ILE 24 N -3.08 3.79 0.00 3.79 1.01 -1.26 -4.75 121.20 120.70 1eei s ILE 24 Ca 0.59 1.28 -0.22 0.00 0.00 0.00 0.00 60.65 62.30 1eei s ILE 24 Cb -0.14 -3.82 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 1eei s ILE 24 CO 0.55 0.09 1.19 0.15 0.00 0.00 0.00 174.94 176.92 1eei h PHE 25 N 6.90 0.38 -3.82 3.97 3.57 -0.16 -3.47 116.94 124.31 1eei h PHE 25 Ca -0.41 -0.16 -0.16 0.00 3.53 0.00 0.00 57.97 60.77 1eei h PHE 25 Cb 1.21 -0.06 -0.21 0.00 2.79 0.00 0.00 35.95 39.68 1eei h PHE 25 CO 0.67 0.87 -0.63 -1.54 -2.23 0.00 0.00 178.31 175.46 1eei s SER 26 N -6.28 0.17 -0.08 0.41 1.04 -0.59 -4.96 113.70 103.41 1eei s SER 26 Ca -0.15 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1eei s SER 26 Cb 0.03 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1eei s SER 26 CO 0.76 -0.33 -0.10 -0.47 0.98 0.00 0.00 173.24 174.08 1eei s TYR 27 N -1.45 1.42 -0.03 5.02 5.04 -1.26 -2.10 117.35 124.00 1eei s TYR 27 Ca -0.15 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 53.90 1eei s TYR 27 Cb -0.09 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 41.11 1eei s TYR 27 CO -0.00 -0.38 -0.11 0.99 -1.34 0.00 0.00 175.55 174.72 1eei s THR 28 N 1.14 0.91 0.04 4.34 2.01 -0.27 -5.02 115.64 118.79 1eei s THR 28 Ca -0.06 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1eei s THR 28 Cb -0.14 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1eei s THR 28 CO -0.02 0.28 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.29 1eei s GLU 29 N 0.18 0.49 0.02 4.92 -1.05 -1.26 -0.65 118.70 121.34 1eei s GLU 29 Ca -0.04 -0.69 0.03 0.00 -0.15 0.00 0.00 54.97 54.13 1eei s GLU 29 Cb -0.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.34 1eei s GLU 29 CO 0.01 0.04 -0.09 0.45 0.95 0.00 0.00 175.26 176.62 1eei s SER 30 N -1.44 1.10 0.00 0.83 0.15 -0.35 -5.00 113.70 109.00 1eei s SER 30 Ca -0.10 -0.32 0.12 0.00 0.70 0.00 0.00 55.95 56.35 1eei s SER 30 Cb -0.09 -0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.17 1eei s SER 30 CO 0.00 0.01 0.75 0.00 1.20 0.00 0.00 173.24 175.20 1eei n LEU 31 N 2.27 1.53 -4.67 3.45 -0.00 -1.26 -2.67 117.00 115.65 1eei n LEU 31 Ca -0.17 -0.83 -0.43 0.00 -0.00 0.00 0.00 56.01 54.58 1eei n LEU 31 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1eei n LEU 31 CO 0.23 0.30 0.86 0.00 -0.00 0.00 0.00 177.39 178.78 1eei n ALA 32 N 0.04 0.98 -1.62 1.47 0.00 -1.26 -4.67 120.51 115.45 1eei n ALA 32 Ca 0.06 0.38 -0.52 0.00 0.00 0.00 0.00 53.44 53.35 1eei n ALA 32 Cb 0.27 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1eei n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eei n GLY 33 N 1.08 0.63 3.25 0.00 0.00 -1.26 0.34 105.19 109.24 1eei n GLY 33 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1eei n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eei n LYS 34 N 3.19 -0.36 -2.07 1.61 4.76 -1.26 -4.78 118.16 119.24 1eei n LYS 34 Ca 0.20 0.09 -0.04 0.00 -2.87 0.00 0.00 58.31 55.68 1eei n LYS 34 Cb 0.20 -3.80 0.06 0.00 -1.84 0.00 0.00 35.03 29.64 1eei n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1eei n ARG 35 N -1.59 1.81 -2.60 1.97 5.12 0.15 -4.97 116.66 116.55 1eei n ARG 35 Ca 0.00 -3.33 -0.42 0.00 -1.93 0.00 0.00 57.85 52.17 1eei n ARG 35 Cb 0.09 -1.43 -0.01 0.00 -1.16 0.00 0.00 32.46 29.94 1eei n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1eei s GLU 36 N -2.88 3.81 0.32 5.56 8.01 -0.97 -4.21 118.70 128.35 1eei s GLU 36 Ca 0.36 -1.63 -0.01 0.00 0.01 0.00 0.00 54.97 53.70 1eei s GLU 36 Cb 0.36 -5.42 0.01 0.00 -4.31 0.00 0.00 34.13 24.77 1eei s GLU 36 CO -0.05 -2.20 0.44 0.00 0.01 0.00 0.00 175.26 173.45 1eei n MET 37 N 8.46 0.63 -4.11 1.61 0.00 -1.09 -4.22 117.12 118.41 1eei n MET 37 Ca 0.41 -2.57 -0.14 0.00 0.00 0.00 0.00 57.70 55.39 1eei n MET 37 Cb 0.48 2.47 -0.13 0.00 0.00 0.00 0.00 33.22 36.04 1eei n MET 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eei s ALA 38 N -2.69 0.48 -0.02 3.17 0.00 -1.14 -1.21 121.76 120.35 1eei s ALA 38 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1eei s ALA 38 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1eei s ALA 38 CO 0.19 0.04 -0.08 0.42 0.00 0.00 0.00 175.76 176.34 1eei s ILE 39 N -0.68 0.66 0.08 0.00 1.01 0.17 -0.39 121.20 122.05 1eei s ILE 39 Ca -0.04 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.35 1eei s ILE 39 Cb -0.06 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1eei s ILE 39 CO 0.00 0.20 -0.15 0.27 0.00 0.00 0.00 174.94 175.26 1eei s ILE 40 N 0.03 1.18 0.06 2.92 -4.36 -0.14 -1.11 121.20 119.78 1eei s ILE 40 Ca -0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1eei s ILE 40 Cb -0.06 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 1eei s ILE 40 CO -0.00 -0.24 -0.05 0.42 0.24 0.00 0.00 174.94 175.31 1eei s THR 41 N -1.39 0.40 0.10 8.37 -4.23 -0.89 -0.84 115.64 117.16 1eei s THR 41 Ca 0.00 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1eei s THR 41 Cb -0.09 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 1eei s THR 41 CO 0.02 -0.88 -0.20 -0.36 -0.54 0.00 0.00 174.62 172.66 1eei s PHE 42 N -3.49 2.49 0.64 3.99 0.40 -0.41 0.60 117.98 122.19 1eei s PHE 42 Ca 0.06 -0.29 0.18 0.00 -0.60 0.00 0.00 56.93 56.28 1eei s PHE 42 Cb 0.05 -1.35 0.84 0.00 0.51 0.00 0.00 43.02 43.06 1eei s PHE 42 CO -0.07 0.34 1.42 1.57 0.70 0.00 0.00 175.22 179.19 1eei h LYS 43 N 3.96 0.00 -0.00 0.44 2.10 -1.90 0.46 116.57 121.64 1eei h LYS 43 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1eei h LYS 43 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1eei h LYS 43 CO 0.45 0.00 -0.00 0.27 -2.00 0.00 0.00 179.45 178.17 1eei n ASN 44 N -2.97 0.01 0.00 7.07 0.23 -1.26 -4.89 115.26 113.45 1eei n ASN 44 Ca 0.07 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.46 1eei n ASN 44 Cb 0.95 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.54 1eei n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1eei n GLY 45 N 1.12 0.41 3.75 4.83 0.00 0.16 -5.06 105.19 110.41 1eei n GLY 45 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1eei n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eei s ALA 46 N -2.10 3.62 -0.03 4.61 0.00 -1.23 -4.81 121.76 121.83 1eei s ALA 46 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1eei s ALA 46 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1eei s ALA 46 CO 0.00 -0.81 -0.12 0.99 0.00 0.00 0.00 175.76 175.82 1eei s THR 47 N -0.32 0.98 0.06 0.00 2.01 -1.26 -1.29 115.64 115.82 1eei s THR 47 Ca 0.58 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1eei s THR 47 Cb -0.43 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1eei s THR 47 CO 0.48 0.30 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.30 1eei s PHE 48 N 0.11 0.63 0.26 4.92 0.08 -0.02 -4.16 117.98 119.80 1eei s PHE 48 Ca -0.03 -0.80 0.06 0.00 0.12 0.00 0.00 56.93 56.28 1eei s PHE 48 Cb -0.09 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.90 1eei s PHE 48 CO 0.01 -0.21 -0.05 1.14 -0.10 0.00 0.00 175.22 176.01 1eei s GLN 49 N -2.95 1.49 -0.33 0.44 -2.07 -0.64 -0.97 119.66 114.62 1eei s GLN 49 Ca 0.01 -1.75 0.00 0.00 -1.82 0.00 0.00 55.36 51.80 1eei s GLN 49 Cb 0.00 -1.02 0.08 0.00 -1.09 0.00 0.00 33.01 30.98 1eei s GLN 49 CO -0.04 0.01 0.05 0.08 -1.32 0.00 0.00 175.29 174.06 1eei s VAL 50 N -3.11 2.76 0.82 3.63 1.01 0.48 -0.87 120.40 125.11 1eei s VAL 50 Ca 0.29 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1eei s VAL 50 Cb 0.04 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1eei s VAL 50 CO 0.11 -0.37 0.17 -0.62 0.00 0.00 0.00 175.10 174.40 1eei n GLU 51 N 4.49 0.04 -2.06 2.72 1.02 -1.26 -2.90 120.64 122.70 1eei n GLU 51 Ca -0.06 0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.72 1eei n GLU 51 Cb 0.42 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1eei n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1eei s VAL 52 N -2.08 2.61 0.35 2.62 1.01 -1.26 -4.86 120.40 118.79 1eei s VAL 52 Ca 0.57 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 1eei s VAL 52 Cb -0.29 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 1eei s VAL 52 CO 0.66 0.11 1.42 -2.84 0.00 0.00 0.00 175.10 174.45 1eei s PRO 53 N -2.05 4.21 0.00 2.72 0.02 -1.26 -4.95 135.00 133.69 1eei s PRO 53 Ca 0.53 2.42 -0.00 0.00 0.02 0.00 0.00 61.00 63.97 1eei s PRO 53 Cb -0.39 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1eei s PRO 53 CO 0.52 -0.39 0.01 0.41 -0.33 0.00 0.00 177.00 177.21 1eei n GLY 54 N 0.70 2.49 0.28 0.52 0.00 -1.26 -5.02 105.19 102.90 1eei n GLY 54 Ca 0.01 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 45.02 1eei n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1eei h SER 55 N 0.02 0.00 0.77 1.61 0.02 -2.01 -1.25 113.55 112.71 1eei h SER 55 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1eei h SER 55 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1eei h SER 55 CO 0.00 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 1eei n GLN 56 N -3.26 0.12 -4.10 3.45 0.00 -1.26 -4.68 117.38 107.66 1eei n GLN 56 Ca -0.01 0.30 -0.36 0.00 0.00 0.00 0.00 57.00 56.93 1eei n GLN 56 Cb 0.25 -1.70 -0.08 0.00 0.00 0.00 0.00 30.24 28.71 1eei n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eei s HIS 57 N -3.15 3.39 0.61 2.61 3.76 -0.47 -5.10 115.29 116.93 1eei s HIS 57 Ca 0.07 0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.27 1eei s HIS 57 Cb 0.11 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.92 1eei s HIS 57 CO 0.39 0.59 0.93 0.96 -0.85 0.00 0.00 174.74 176.76 1eei s ILE 58 N -0.88 3.60 0.26 0.60 -4.36 -1.26 -4.85 121.20 114.30 1eei s ILE 58 Ca 0.14 0.07 -0.02 0.00 -0.26 0.00 0.00 60.65 60.58 1eei s ILE 58 Cb -0.12 -3.45 0.23 0.00 1.25 0.00 0.00 42.46 40.38 1eei s ILE 58 CO 0.03 -0.48 1.78 0.44 0.24 0.00 0.00 174.94 176.95 1eei h ASP 59 N -0.26 0.59 0.27 4.36 5.19 -1.98 -0.51 116.42 124.08 1eei h ASP 59 Ca -0.45 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 1eei h ASP 59 Cb 1.26 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 1eei h ASP 59 CO 0.61 0.29 -0.09 0.77 -3.12 0.00 0.00 179.24 177.71 1eei h SER 60 N 0.69 0.00 0.77 6.45 4.64 -2.04 -2.94 113.55 121.12 1eei h SER 60 Ca 0.44 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.54 1eei h SER 60 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1eei h SER 60 CO -0.31 0.09 -0.99 1.56 -0.87 0.00 0.00 176.83 176.30 1eei h GLN 61 N 0.00 0.12 -0.64 4.77 4.20 -1.46 -3.36 115.11 118.75 1eei h GLN 61 Ca -0.00 -0.17 0.13 0.00 0.06 0.00 0.00 58.65 58.68 1eei h GLN 61 Cb 0.25 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 27.97 1eei h GLN 61 CO 0.01 1.01 -0.02 0.87 -0.67 0.00 0.00 178.83 180.03 1eei h LYS 62 N 0.05 0.10 -0.26 1.46 1.79 -1.44 0.24 116.57 118.50 1eei h LYS 62 Ca -0.05 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1eei h LYS 62 Cb 1.69 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 1eei h LYS 62 CO 0.14 0.06 -0.19 1.57 -1.08 0.00 0.00 179.45 179.96 1eei h LYS 63 N 0.10 0.47 0.00 3.15 2.10 -1.75 -2.29 116.57 118.34 1eei h LYS 63 Ca 0.33 -0.15 -0.07 0.00 -2.00 0.00 0.00 60.65 58.76 1eei h LYS 63 Cb 0.54 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1eei h LYS 63 CO -0.56 0.64 -0.34 0.00 -2.00 0.00 0.00 179.45 177.18 1eei h ALA 64 N 1.38 1.12 -0.19 0.07 0.00 -1.07 -1.69 119.26 118.88 1eei h ALA 64 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1eei h ALA 64 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1eei h ALA 64 CO 0.04 0.43 -0.16 0.82 0.00 0.00 0.00 179.25 180.38 1eei h ILE 65 N 0.00 1.33 -0.90 0.00 2.04 -0.09 -1.56 117.51 118.33 1eei h ILE 65 Ca -0.00 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.57 1eei h ILE 65 Cb 0.77 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 1eei h ILE 65 CO 0.04 0.39 0.59 -0.33 0.00 0.00 0.00 178.15 178.85 1eei h GLU 66 N 0.11 1.17 -0.34 2.37 4.39 -1.10 -2.43 114.58 118.75 1eei h GLU 66 Ca 0.03 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1eei h GLU 66 Cb 0.69 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1eei h GLU 66 CO 0.04 0.77 0.06 -0.09 -1.16 0.00 0.00 179.01 178.64 1eei h ARG 67 N 1.20 0.56 -0.66 2.33 2.43 -1.21 -2.11 114.38 116.93 1eei h ARG 67 Ca 0.33 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1eei h ARG 67 Cb -0.12 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 1eei h ARG 67 CO -0.08 0.63 0.35 1.98 -1.51 0.00 0.00 179.97 181.34 1eei h MET 68 N 0.40 0.61 -0.54 0.20 4.05 -0.93 0.14 114.93 118.86 1eei h MET 68 Ca 0.11 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1eei h MET 68 Cb 0.34 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1eei h MET 68 CO 0.01 0.40 0.16 0.87 0.23 0.00 0.00 176.91 178.58 1eei h LYS 69 N 0.63 0.80 -0.56 0.39 1.57 -1.22 0.19 116.57 118.37 1eei h LYS 69 Ca 0.30 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1eei h LYS 69 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1eei h LYS 69 CO -0.21 0.70 0.09 -0.44 -0.57 0.00 0.00 179.45 179.03 1eei h ASP 70 N 0.78 0.89 0.08 0.86 3.32 -0.54 -1.12 116.42 120.69 1eei h ASP 70 Ca 0.18 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1eei h ASP 70 Cb 0.24 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1eei h ASP 70 CO -0.01 0.92 -0.04 0.74 -1.72 0.00 0.00 179.24 179.13 1eei h THR 71 N 0.82 0.96 -0.85 0.35 2.02 -0.23 -2.18 112.91 113.81 1eei h THR 71 Ca 0.17 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1eei h THR 71 Cb 0.41 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1eei h THR 71 CO 0.01 0.04 0.54 -0.07 0.37 0.00 0.00 175.52 176.41 1eei h LEU 72 N -0.18 1.00 -0.17 2.58 3.38 -0.52 0.10 115.31 121.50 1eei h LEU 72 Ca -0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1eei h LEU 72 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1eei h LEU 72 CO 0.02 0.75 0.09 -0.09 0.09 0.00 0.00 178.44 179.30 1eei h ARG 73 N 1.16 0.19 -0.29 1.13 2.43 -1.07 -0.93 114.38 117.00 1eei h ARG 73 Ca 0.31 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1eei h ARG 73 Cb -0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1eei h ARG 73 CO -0.06 0.13 -0.46 0.97 -1.51 0.00 0.00 179.97 179.04 1eei h ILE 74 N 0.20 1.29 -0.90 1.20 6.09 -1.16 -1.24 117.51 122.98 1eei h ILE 74 Ca 0.07 -1.65 -0.00 0.00 -1.37 0.00 0.00 64.86 61.91 1eei h ILE 74 Cb 0.00 1.55 -0.04 0.00 0.47 0.00 0.00 36.82 38.80 1eei h ILE 74 CO -0.04 0.53 0.56 0.00 -3.07 0.00 0.00 178.15 176.14 1eei h ALA 75 N 0.87 1.15 0.78 0.18 0.00 -0.84 -1.10 119.26 120.31 1eei h ALA 75 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1eei h ALA 75 Cb 1.02 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1eei h ALA 75 CO 0.10 0.59 -0.38 -0.92 0.00 0.00 0.00 179.25 178.64 1eei h TYR 76 N 1.24 -0.98 -0.08 0.00 3.20 -0.96 0.73 116.97 120.13 1eei h TYR 76 Ca 0.33 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.20 1eei h TYR 76 Cb -0.08 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1eei h TYR 76 CO -0.00 -0.60 0.23 -0.07 -1.64 0.00 0.00 178.16 176.08 1eei h LEU 77 N -1.23 0.00 -0.80 2.82 3.38 -1.04 -1.11 115.31 117.33 1eei h LEU 77 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1eei h LEU 77 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1eei h LEU 77 CO 0.18 0.00 -0.43 0.35 0.09 0.00 0.00 178.44 178.62 1eei n THR 78 N -3.23 0.00 -1.92 0.22 -2.24 -0.43 -4.96 114.28 101.72 1eei n THR 78 Ca -0.01 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 1eei n THR 78 Cb 0.31 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1eei n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eei n GLU 79 N -0.26 -1.18 -1.73 -0.78 1.02 0.04 -4.93 120.64 112.81 1eei n GLU 79 Ca 0.07 0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 57.68 1eei n GLU 79 Cb 0.36 -5.17 -0.01 0.00 -0.02 0.00 0.00 31.44 26.60 1eei n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1eei n ALA 80 N -0.38 2.14 -2.21 0.62 0.00 0.01 -4.63 120.51 116.06 1eei n ALA 80 Ca -0.17 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1eei n ALA 80 Cb 0.58 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1eei n ALA 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1eei s LYS 81 N -0.99 4.42 -0.26 0.00 2.20 -1.26 -4.27 119.74 119.58 1eei s LYS 81 Ca 0.61 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 58.01 1eei s LYS 81 Cb -0.52 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 1eei s LYS 81 CO 0.54 -0.24 0.22 0.08 -0.36 0.00 0.00 175.35 175.58 1eei s VAL 82 N 0.62 5.30 -0.02 4.02 1.01 0.20 -3.69 120.40 127.84 1eei s VAL 82 Ca 0.58 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1eei s VAL 82 Cb -0.33 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1eei s VAL 82 CO 0.33 0.26 0.07 -0.08 0.00 0.00 0.00 175.10 175.67 1eei h GLU 83 N 8.08 -0.02 -5.13 2.72 4.81 -1.21 0.52 114.58 124.35 1eei h GLU 83 Ca -0.35 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.50 1eei h GLU 83 Cb 1.18 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 1eei h GLU 83 CO 0.60 -0.01 -0.68 0.15 -0.73 0.00 0.00 179.01 178.34 1eei s LYS 84 N -1.28 1.28 -0.03 1.92 1.02 -1.06 -0.30 119.74 121.29 1eei s LYS 84 Ca -0.00 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1eei s LYS 84 Cb 0.00 -0.67 0.03 0.00 -0.52 0.00 0.00 37.83 36.66 1eei s LYS 84 CO 0.01 -0.03 0.00 -0.51 -0.92 0.00 0.00 175.35 173.90 1eei s LEU 85 N -3.28 1.21 -0.20 3.17 1.43 -0.51 -1.27 118.68 119.22 1eei s LEU 85 Ca 0.25 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1eei s LEU 85 Cb 0.04 -0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.02 1eei s LEU 85 CO 0.07 -0.10 0.16 0.00 0.23 0.00 0.00 176.35 176.71 1eei s VAL 87 N 0.48 0.46 -0.07 0.00 -7.23 -0.57 0.24 120.40 113.70 1eei s VAL 87 Ca 0.09 -1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 1eei s VAL 87 Cb -0.12 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1eei s VAL 87 CO -0.00 -0.81 0.75 0.26 -0.31 0.00 0.00 175.10 174.99 1eei s TRP 88 N -3.18 3.57 -0.59 2.82 0.51 0.49 -1.09 118.94 121.47 1eei s TRP 88 Ca 0.04 1.30 0.25 0.00 -2.12 0.00 0.00 56.10 55.58 1eei s TRP 88 Cb 0.02 -2.87 0.67 0.00 -0.81 0.00 0.00 33.47 30.49 1eei s TRP 88 CO -0.05 0.04 1.72 -0.91 -0.51 0.00 0.00 176.95 177.24 1eei h ASN 89 N 6.83 0.00 -0.54 2.95 2.35 -1.33 -3.10 115.58 122.73 1eei h ASN 89 Ca -0.40 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.07 1eei h ASN 89 Cb 1.19 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.40 1eei h ASN 89 CO 0.76 0.00 0.36 -0.46 -1.65 0.00 0.00 177.43 176.44 1eei n ASN 90 N -2.59 3.44 -3.80 5.81 6.94 -1.26 -4.86 115.26 118.94 1eei n ASN 90 Ca 0.05 -2.88 -0.12 0.00 -0.02 0.00 0.00 54.58 51.61 1eei n ASN 90 Cb 0.45 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 37.08 1eei n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eei s LYS 91 N -1.79 0.42 -0.20 -3.83 -0.14 -1.26 -5.07 119.74 107.87 1eei s LYS 91 Ca 0.31 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.99 1eei s LYS 91 Cb 0.26 0.19 0.05 0.00 -1.68 0.00 0.00 37.83 36.65 1eei s LYS 91 CO 0.06 -0.09 -0.07 0.99 -0.76 0.00 0.00 175.35 175.48 1eei s THR 92 N -0.52 1.45 1.00 2.17 2.01 -1.26 -2.34 115.64 118.14 1eei s THR 92 Ca -0.06 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1eei s THR 92 Cb -0.04 -1.60 0.19 0.00 0.01 0.00 0.00 72.50 71.06 1eei s THR 92 CO 0.01 0.08 1.08 -2.84 -0.69 0.00 0.00 174.62 172.27 1eei s PRO 93 N 1.47 0.39 0.27 4.92 0.02 -1.26 -5.07 135.00 135.73 1eei s PRO 93 Ca -0.02 0.65 -0.30 0.00 0.02 0.00 0.00 61.00 61.36 1eei s PRO 93 Cb -0.17 -1.72 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 1eei s PRO 93 CO -0.08 -2.79 1.49 -1.01 -0.33 0.00 0.00 177.00 174.28 1eei s HIS 94 N -2.87 2.92 0.00 6.54 3.76 -0.99 -4.59 115.29 120.06 1eei s HIS 94 Ca 0.65 0.95 -0.24 0.00 -0.15 0.00 0.00 55.06 56.27 1eei s HIS 94 Cb -0.20 -3.91 -0.05 0.00 1.11 0.00 0.00 32.58 29.54 1eei s HIS 94 CO 0.59 -2.99 0.73 0.00 -0.85 0.00 0.00 174.74 172.22 1eei s ALA 95 N -0.04 3.37 0.01 -1.40 0.00 -1.17 -1.63 121.76 120.90 1eei s ALA 95 Ca 0.60 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1eei s ALA 95 Cb -0.44 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1eei s ALA 95 CO 0.45 0.02 1.31 0.42 0.00 0.00 0.00 175.76 177.96 1eei s ILE 96 N 0.23 3.86 -0.19 0.00 1.01 -0.05 -0.38 121.20 125.66 1eei s ILE 96 Ca 0.38 1.27 0.04 0.00 0.00 0.00 0.00 60.65 62.34 1eei s ILE 96 Cb -0.19 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 1eei s ILE 96 CO 0.21 0.03 -0.13 0.00 0.00 0.00 0.00 174.94 175.05 1eei n ALA 97 N 4.84 1.57 -3.46 9.38 0.00 0.14 -4.89 120.51 128.09 1eei n ALA 97 Ca 0.11 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1eei n ALA 97 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1eei n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eei s ALA 98 N -2.40 -1.33 0.00 0.00 0.00 -0.99 -4.97 121.76 112.07 1eei s ALA 98 Ca -0.23 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1eei s ALA 98 Cb 0.07 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1eei s ALA 98 CO 0.51 -0.83 0.02 -1.50 0.00 0.00 0.00 175.76 173.97 1eei s ILE 99 N -3.82 0.05 -0.03 0.00 2.07 -1.26 -1.10 121.20 117.12 1eei s ILE 99 Ca 0.05 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 58.87 1eei s ILE 99 Cb -0.02 -0.19 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 1eei s ILE 99 CO -0.06 -0.25 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.65 1eei s SER 100 N -0.74 1.59 -0.01 4.50 1.04 -0.40 -5.00 113.70 114.67 1eei s SER 100 Ca -0.08 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1eei s SER 100 Cb -0.05 -0.37 -0.01 0.00 0.10 0.00 0.00 66.02 65.69 1eei s SER 100 CO -0.00 0.12 -0.16 -0.04 0.98 0.00 0.00 173.24 174.13 1eei s MET 101 N 0.02 1.32 -0.17 4.02 -1.94 -1.26 -0.73 119.30 120.57 1eei s MET 101 Ca -0.01 -0.58 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 1eei s MET 101 Cb -0.09 -1.28 0.06 0.00 2.01 0.00 0.00 34.83 35.54 1eei s MET 101 CO 0.01 0.35 0.64 0.00 -0.01 0.00 0.00 175.02 176.01 1eei s ALA 102 N -0.38 -1.61 -2.00 3.03 0.00 -1.24 -4.87 121.76 114.68 1eei s ALA 102 Ca 0.06 1.58 0.22 0.00 0.00 0.00 0.00 51.96 53.82 1eei s ALA 102 Cb -0.06 -0.66 1.32 0.00 0.00 0.00 0.00 23.12 23.71 1eei s ALA 102 CO -0.01 -0.32 1.70 0.27 0.00 0.00 0.00 175.76 177.40