#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 2.24 0.00 -2.82 -0.04 -1.26 -4.91 135.00 128.21 1eei n PRO 2 Ca 0.00 0.79 0.11 0.00 -0.04 0.00 0.00 63.50 64.35 1eei n PRO 2 Cb 0.00 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.92 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 0.30 0.12 -3.96 0.54 6.02 -1.26 -4.92 117.38 114.21 1eei n GLN 3 Ca 0.04 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1eei n GLN 3 Cb 0.38 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 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 -3.30 0.02 0.40 1.08 4.22 -1.26 -5.06 114.94 111.05 1eei s ASN 4 Ca 0.06 -0.87 0.07 0.00 -2.14 0.00 0.00 52.86 49.98 1eei s ASN 4 Cb 0.16 0.45 0.83 0.00 1.28 0.00 0.00 41.25 43.97 1eei s ASN 4 CO 0.85 -0.91 2.05 -0.29 -2.04 0.00 0.00 177.10 176.76 1eei h ILE 5 N 2.51 1.11 -0.06 0.54 2.10 -1.96 -1.28 117.51 120.48 1eei h ILE 5 Ca -0.31 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.40 1eei h ILE 5 Cb 1.23 0.49 -0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1eei h ILE 5 CO 0.47 0.11 0.00 0.74 -1.08 0.00 0.00 178.15 178.40 1eei h THR 6 N 0.58 1.23 -0.28 2.19 2.02 -1.99 0.08 112.91 116.74 1eei h THR 6 Ca 0.16 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1eei h THR 6 Cb -0.06 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1eei h THR 6 CO -0.03 0.19 -0.10 0.44 0.37 0.00 0.00 175.52 176.39 1eei h ASP 7 N -0.17 0.45 -0.23 4.18 3.32 -1.94 -1.75 116.42 120.29 1eei h ASP 7 Ca 0.02 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1eei h ASP 7 Cb 0.30 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1eei h ASP 7 CO 0.00 0.59 -0.03 0.25 -1.72 0.00 0.00 179.24 178.33 1eei h LEU 8 N 0.44 0.42 -0.46 1.55 6.46 -1.00 -3.15 115.31 119.57 1eei h LEU 8 Ca 0.09 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 1eei h LEU 8 Cb 0.44 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 1eei h LEU 8 CO 0.02 0.66 0.20 0.00 -0.62 0.00 0.00 178.44 178.71 1eei n ALA 10 N -2.35 1.15 1.53 0.00 0.00 -0.71 -1.79 120.51 118.34 1eei n ALA 10 Ca 0.04 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1eei n ALA 10 Cb 0.15 -1.20 0.75 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.91 0.69 -4.37 0.00 1.02 -0.51 -4.81 120.64 110.75 1eei n GLU 11 Ca -0.00 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1eei n GLU 11 Cb 0.05 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.17 1.81 0.59 -0.32 1.51 -0.74 -5.15 117.35 112.89 1eei s TYR 12 Ca 0.35 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1eei s TYR 12 Cb 0.18 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1eei s TYR 12 CO 0.33 0.42 0.91 -1.01 -1.11 0.00 0.00 175.55 175.09 1eei s HIS 13 N -2.90 3.30 -1.38 2.71 3.76 -1.26 -4.35 115.29 115.18 1eei s HIS 13 Ca 0.24 0.72 -0.09 0.00 -0.15 0.00 0.00 55.06 55.77 1eei s HIS 13 Cb -0.01 -2.72 0.06 0.00 1.11 0.00 0.00 32.58 31.02 1eei s HIS 13 CO 0.08 -0.79 0.59 0.09 -0.85 0.00 0.00 174.74 173.86 1eei n ASN 14 N -2.59 -4.31 -4.64 1.40 3.02 -1.26 -4.96 115.26 101.93 1eei n ASN 14 Ca 0.04 -0.44 -0.29 0.00 -0.03 0.00 0.00 54.58 53.86 1eei n ASN 14 Cb 0.57 -3.52 -0.11 0.00 -0.61 0.00 0.00 39.78 36.11 1eei n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1eei s THR 15 N -3.04 1.90 -0.22 3.41 -4.23 -1.26 -0.70 115.64 111.50 1eei s THR 15 Ca 0.43 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.65 1eei s THR 15 Cb -0.22 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.88 1eei s THR 15 CO 0.53 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.76 1eei s GLN 16 N -3.73 0.36 0.09 3.99 -2.07 -0.96 -4.82 119.66 112.53 1eei s GLN 16 Ca 0.31 0.11 -0.17 0.00 -1.82 0.00 0.00 55.36 53.79 1eei s GLN 16 Cb 0.09 0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 32.11 1eei s GLN 16 CO 0.16 -0.11 0.56 0.42 -1.32 0.00 0.00 175.29 175.00 1eei s ILE 17 N -0.99 4.79 -0.17 3.63 -1.09 -1.26 -1.67 121.20 124.44 1eei s ILE 17 Ca 0.03 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1eei s ILE 17 Cb -0.01 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1eei s ILE 17 CO -0.03 0.45 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.93 1eei s HIS 18 N -1.23 2.74 -0.24 3.97 3.76 -0.05 -4.98 115.29 119.26 1eei s HIS 18 Ca 0.32 -1.48 -0.16 0.00 -0.15 0.00 0.00 55.06 53.58 1eei s HIS 18 Cb -0.18 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 1eei s HIS 18 CO 0.19 -0.71 0.44 0.99 -0.85 0.00 0.00 174.74 174.79 1eei s THR 19 N 1.09 5.14 -0.13 1.30 2.01 -1.26 -1.75 115.64 122.05 1eei s THR 19 Ca 0.00 0.74 -0.02 0.00 0.31 0.00 0.00 61.69 62.71 1eei s THR 19 Cb -0.14 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 1eei s THR 19 CO -0.08 0.17 -0.14 0.18 -0.69 0.00 0.00 174.62 174.06 1eei n LEU 20 N 5.09 2.15 -4.01 4.42 7.99 0.29 -5.01 117.00 127.93 1eei n LEU 20 Ca -0.07 0.03 -0.37 0.00 -0.01 0.00 0.00 56.01 55.59 1eei n LEU 20 Cb 0.50 -0.42 -0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1eei n LEU 20 CO 0.39 0.53 -0.21 0.59 -1.51 0.00 0.00 177.39 177.18 1eei n ASN 21 N -3.16 -2.82 -3.57 -1.43 5.03 -0.11 -4.94 115.26 104.26 1eei n ASN 21 Ca -0.24 -1.18 -0.09 0.00 0.87 0.00 0.00 54.58 53.94 1eei n ASN 21 Cb 0.72 -2.28 -0.02 0.00 -1.02 0.00 0.00 39.78 37.17 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 -3.82 -0.39 0.66 6.41 2.15 -0.73 -4.91 116.67 116.05 1eei s ASP 22 Ca 0.32 -0.17 -0.11 0.00 0.43 0.00 0.00 52.55 53.02 1eei s ASP 22 Cb -0.15 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1eei s ASP 22 CO 0.94 -0.91 1.05 -1.59 -0.17 0.00 0.00 175.17 174.50 1eei s LYS 23 N -3.49 3.22 0.12 4.34 -2.85 -1.26 -0.75 119.74 119.06 1eei s LYS 23 Ca 0.06 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.45 1eei s LYS 23 Cb -0.02 -2.04 -0.07 0.00 -2.06 0.00 0.00 37.83 33.64 1eei s LYS 23 CO -0.06 -0.84 1.22 0.42 0.10 0.00 0.00 175.35 176.20 1eei s ILE 24 N -3.18 3.75 -0.02 3.79 1.01 -1.26 -4.70 121.20 120.58 1eei s ILE 24 Ca 0.57 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.38 1eei s ILE 24 Cb -0.12 -3.85 -0.33 0.00 0.01 0.00 0.00 42.46 38.17 1eei s ILE 24 CO 0.54 0.15 0.87 0.15 0.00 0.00 0.00 174.94 176.65 1eei h PHE 25 N 6.17 0.78 -3.68 3.97 3.57 -1.13 -3.48 116.94 123.15 1eei h PHE 25 Ca -0.43 -0.57 -0.16 0.00 3.53 0.00 0.00 57.97 60.35 1eei h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1eei h PHE 25 CO 0.65 1.52 -0.57 -1.54 -2.23 0.00 0.00 178.31 176.14 1eei s SER 26 N -7.33 0.10 -0.06 0.41 1.04 -0.97 -4.95 113.70 101.94 1eei s SER 26 Ca -0.12 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1eei s SER 26 Cb 0.03 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1eei s SER 26 CO 0.88 -0.33 -0.13 -0.47 0.98 0.00 0.00 173.24 174.17 1eei s TYR 27 N -1.35 1.54 -0.02 5.02 5.04 -1.26 -2.13 117.35 124.18 1eei s TYR 27 Ca -0.15 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 53.94 1eei s TYR 27 Cb -0.08 -1.11 0.01 0.00 0.35 0.00 0.00 41.96 41.13 1eei s TYR 27 CO 0.01 -0.27 -0.05 0.99 -1.34 0.00 0.00 175.55 174.89 1eei s THR 28 N 0.56 0.49 0.04 4.34 2.01 0.70 -4.99 115.64 118.80 1eei s THR 28 Ca -0.13 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1eei s THR 28 Cb -0.15 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1eei s THR 28 CO 0.04 0.18 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.24 1eei s GLU 29 N 0.39 0.51 0.02 4.92 -1.05 -1.26 -0.19 118.70 122.05 1eei s GLU 29 Ca -0.05 -0.71 0.05 0.00 -0.15 0.00 0.00 54.97 54.10 1eei s GLU 29 Cb -0.09 -0.29 -0.02 0.00 -0.44 0.00 0.00 34.13 33.30 1eei s GLU 29 CO -0.00 0.05 -0.14 0.45 0.95 0.00 0.00 175.26 176.57 1eei s SER 30 N -1.48 1.60 0.00 0.83 0.15 0.01 -5.00 113.70 109.82 1eei s SER 30 Ca -0.09 -0.38 0.10 0.00 0.70 0.00 0.00 55.95 56.28 1eei s SER 30 Cb -0.09 -0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.16 1eei s SER 30 CO 0.00 0.07 0.80 0.00 1.20 0.00 0.00 173.24 175.31 1eei n LEU 31 N 2.18 1.77 -4.74 3.45 -0.00 -1.26 -3.10 117.00 115.29 1eei n LEU 31 Ca -0.17 -0.97 -0.42 0.00 -0.00 0.00 0.00 56.01 54.46 1eei n LEU 31 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 1eei n LEU 31 CO 0.23 0.34 1.27 0.00 -0.00 0.00 0.00 177.39 179.23 1eei s ALA 32 N -0.92 3.78 -0.12 1.47 0.00 -1.26 -4.76 121.76 119.95 1eei s ALA 32 Ca 0.11 1.57 -0.40 0.00 0.00 0.00 0.00 51.96 53.24 1eei s ALA 32 Cb 0.08 -3.66 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 1eei s ALA 32 CO 0.14 -0.97 1.38 0.41 0.00 0.00 0.00 175.76 176.73 1eei n GLY 33 N 2.51 0.26 2.91 0.00 0.00 -1.26 0.46 105.19 110.07 1eei n GLY 33 Ca 0.10 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 3.04 -0.64 -1.85 1.61 5.02 -1.26 -4.80 118.16 119.28 1eei n LYS 34 Ca 0.23 0.16 -0.02 0.00 -2.02 0.00 0.00 58.31 56.66 1eei n LYS 34 Cb 0.10 -3.85 0.06 0.00 -0.02 0.00 0.00 35.03 31.32 1eei n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1eei n ARG 35 N -1.33 1.51 -2.48 1.97 5.12 0.17 -4.99 116.66 116.64 1eei n ARG 35 Ca 0.00 -3.12 -0.39 0.00 -1.93 0.00 0.00 57.85 52.41 1eei n ARG 35 Cb 0.16 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.46 3.51 0.30 5.56 8.01 -1.15 -4.40 118.70 128.07 1eei s GLU 36 Ca 0.36 -1.26 -0.05 0.00 0.01 0.00 0.00 54.97 54.03 1eei s GLU 36 Cb 0.37 -5.37 -0.00 0.00 -4.31 0.00 0.00 34.13 24.82 1eei s GLU 36 CO -0.07 -2.47 0.43 0.00 0.01 0.00 0.00 175.26 173.16 1eei s MET 37 N 5.11 1.73 0.04 1.61 0.23 -1.18 -4.30 119.30 122.54 1eei s MET 37 Ca 0.52 -1.62 0.04 0.00 -1.03 0.00 0.00 55.69 53.60 1eei s MET 37 Cb 0.00 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 1eei s MET 37 CO -0.03 -0.70 -0.12 0.00 -2.03 0.00 0.00 175.02 172.13 1eei s ALA 38 N -3.43 1.03 -0.03 3.16 0.00 -1.22 -0.81 121.76 120.46 1eei s ALA 38 Ca 0.30 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1eei s ALA 38 Cb 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1eei s ALA 38 CO 0.17 0.18 -0.08 0.42 0.00 0.00 0.00 175.76 176.45 1eei s ILE 39 N -0.85 0.69 0.16 0.00 1.01 0.73 -1.26 121.20 121.69 1eei s ILE 39 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1eei s ILE 39 Cb -0.08 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1eei s ILE 39 CO 0.01 0.23 -0.14 0.27 0.00 0.00 0.00 174.94 175.31 1eei s ILE 40 N 0.34 1.51 0.12 2.92 -4.36 -0.35 -0.21 121.20 121.16 1eei s ILE 40 Ca -0.05 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1eei s ILE 40 Cb -0.10 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1eei s ILE 40 CO 0.00 -0.54 0.01 0.42 0.24 0.00 0.00 174.94 175.07 1eei s THR 41 N -2.70 0.33 0.29 8.37 -4.23 -0.91 -1.20 115.64 115.59 1eei s THR 41 Ca 0.16 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1eei s THR 41 Cb -0.02 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 1eei s THR 41 CO 0.04 -0.64 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.96 1eei s PHE 42 N -3.88 2.26 0.46 3.99 0.40 -0.25 -0.52 117.98 120.44 1eei s PHE 42 Ca 0.19 -0.40 0.26 0.00 -0.60 0.00 0.00 56.93 56.37 1eei s PHE 42 Cb 0.07 -1.08 1.29 0.00 0.51 0.00 0.00 43.02 43.81 1eei s PHE 42 CO -0.01 0.64 1.81 -0.22 0.70 0.00 0.00 175.22 178.14 1eei h LYS 43 N 2.23 0.21 0.00 0.44 3.64 -1.90 0.31 116.57 121.50 1eei h LYS 43 Ca -0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1eei h LYS 43 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1eei h LYS 43 CO 0.63 0.14 0.00 0.27 -2.27 0.00 0.00 179.45 178.22 1eei n ASN 44 N -4.43 0.00 0.00 4.20 0.23 -1.26 -4.88 115.26 109.12 1eei n ASN 44 Ca 0.23 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 1eei n ASN 44 Cb 0.96 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 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 0.78 1.32 3.70 4.83 0.00 0.11 -5.04 105.19 110.88 1eei n GLY 45 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1eei n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eei n ALA 46 N -1.25 2.22 -2.84 4.61 0.00 -1.25 -4.73 120.51 117.27 1eei n ALA 46 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 1eei n ALA 46 Cb 0.00 -2.45 -0.17 0.00 0.00 0.00 0.00 19.45 16.83 1eei n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1eei s THR 47 N 1.07 2.07 0.06 0.00 2.01 -1.26 -1.09 115.64 118.50 1eei s THR 47 Ca 0.77 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1eei s THR 47 Cb -0.58 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1eei s THR 47 CO 0.35 0.57 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.43 1eei s PHE 48 N -0.06 0.65 0.18 4.92 0.08 -0.34 -3.90 117.98 119.50 1eei s PHE 48 Ca -0.07 -0.87 0.05 0.00 0.12 0.00 0.00 56.93 56.17 1eei s PHE 48 Cb -0.15 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.84 1eei s PHE 48 CO 0.05 -0.23 -0.10 1.14 -0.10 0.00 0.00 175.22 175.98 1eei s GLN 49 N -3.27 1.18 -0.34 0.44 -2.07 -0.47 -1.22 119.66 113.91 1eei s GLN 49 Ca 0.04 -1.52 -0.05 0.00 -1.82 0.00 0.00 55.36 52.00 1eei s GLN 49 Cb 0.02 -0.76 0.05 0.00 -1.09 0.00 0.00 33.01 31.23 1eei s GLN 49 CO -0.06 0.08 0.09 0.08 -1.32 0.00 0.00 175.29 174.17 1eei s VAL 50 N -3.24 3.56 0.64 3.63 1.01 -0.39 -1.11 120.40 124.51 1eei s VAL 50 Ca 0.20 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 1eei s VAL 50 Cb 0.02 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1eei s VAL 50 CO 0.03 -0.22 0.85 -0.62 0.00 0.00 0.00 175.10 175.15 1eei n GLU 51 N 4.75 0.67 -2.24 2.72 1.02 -1.26 -3.44 120.64 122.87 1eei n GLU 51 Ca -0.12 0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 1eei n GLU 51 Cb 0.44 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 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 -1.66 3.13 0.29 2.62 1.01 -1.26 -4.89 120.40 119.64 1eei s VAL 52 Ca 0.74 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1eei s VAL 52 Cb -0.39 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1eei s VAL 52 CO 0.49 0.19 1.39 -2.65 0.00 0.00 0.00 175.10 174.53 1eei n PRO 53 N 1.88 2.20 -1.63 2.72 -0.02 -1.26 -4.95 135.00 133.93 1eei n PRO 53 Ca 0.03 0.78 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 1eei n PRO 53 Cb 0.43 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1eei n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eei n GLY 54 N 1.53 2.65 0.15 -1.23 0.00 -1.26 -5.03 105.19 102.00 1eei n GLY 54 Ca 0.08 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1eei n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1eei h SER 55 N 0.20 0.00 1.23 1.61 4.64 -2.03 -1.95 113.55 117.25 1eei h SER 55 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1eei h SER 55 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1eei h SER 55 CO 0.04 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.06 1eei h GLN 56 N 0.00 0.00 -6.21 4.77 -0.00 -1.96 -3.45 115.11 108.27 1eei h GLN 56 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 1eei h GLN 56 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.79 1eei h GLN 56 CO 0.00 0.00 -0.34 -1.01 -0.00 0.00 0.00 178.83 177.48 1eei s HIS 57 N -3.27 3.48 0.12 0.06 3.76 -0.73 -5.11 115.29 113.59 1eei s HIS 57 Ca 0.07 0.36 0.04 0.00 -0.15 0.00 0.00 55.06 55.38 1eei s HIS 57 Cb 0.10 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1eei s HIS 57 CO 0.53 0.39 0.09 0.96 -0.85 0.00 0.00 174.74 175.86 1eei s ILE 58 N -1.84 4.43 0.33 0.60 -4.36 -1.26 -4.90 121.20 114.20 1eei s ILE 58 Ca 0.39 -0.94 0.10 0.00 -0.26 0.00 0.00 60.65 59.94 1eei s ILE 58 Cb -0.11 -3.19 0.34 0.00 1.25 0.00 0.00 42.46 40.75 1eei s ILE 58 CO 0.29 0.02 1.62 0.44 0.24 0.00 0.00 174.94 177.55 1eei h ASP 59 N 2.93 0.16 0.12 4.36 3.32 -1.99 0.45 116.42 125.77 1eei h ASP 59 Ca -0.47 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1eei h ASP 59 Cb 1.18 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1eei h ASP 59 CO 0.64 -0.25 0.00 0.77 -1.72 0.00 0.00 179.24 178.68 1eei h SER 60 N 0.16 0.00 1.32 6.45 4.64 -2.05 -1.54 113.55 122.53 1eei h SER 60 Ca 0.69 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.99 1eei h SER 60 Cb 1.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1eei h SER 60 CO -0.71 0.00 -0.69 1.56 -0.87 0.00 0.00 176.83 176.12 1eei h GLN 61 N 0.00 0.00 -0.15 4.77 4.20 -0.48 -3.39 115.11 120.06 1eei h GLN 61 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1eei h GLN 61 Cb 0.06 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1eei h GLN 61 CO 0.00 0.04 -0.38 0.87 -0.67 0.00 0.00 178.83 178.69 1eei h LYS 62 N 0.00 -0.43 -0.48 1.46 1.57 -1.35 0.26 116.57 117.60 1eei h LYS 62 Ca -0.01 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1eei h LYS 62 Cb 1.06 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1eei h LYS 62 CO 0.01 -0.29 0.17 0.87 -0.57 0.00 0.00 179.45 179.64 1eei h LYS 63 N -0.45 0.70 -0.17 3.15 1.57 -1.77 -2.08 116.57 117.52 1eei h LYS 63 Ca 0.09 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1eei h LYS 63 Cb 0.60 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1eei h LYS 63 CO -0.39 0.60 -0.29 0.00 -0.57 0.00 0.00 179.45 178.79 1eei h ALA 64 N 1.50 1.19 -0.65 3.86 0.00 -1.60 -0.30 119.26 123.26 1eei h ALA 64 Ca 0.16 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1eei h ALA 64 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1eei h ALA 64 CO -0.01 0.53 0.10 0.82 0.00 0.00 0.00 179.25 180.69 1eei h ILE 65 N 0.29 1.26 -0.16 0.00 2.04 -0.26 -1.26 117.51 119.41 1eei h ILE 65 Ca 0.04 -1.03 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 1eei h ILE 65 Cb 0.67 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1eei h ILE 65 CO 0.05 0.39 -0.52 -0.33 0.00 0.00 0.00 178.15 177.73 1eei h GLU 66 N 0.99 0.46 -0.50 2.37 4.39 -1.05 -2.84 114.58 118.41 1eei h GLU 66 Ca 0.20 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1eei h GLU 66 Cb 0.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1eei h GLU 66 CO 0.01 0.87 -0.11 -0.09 -1.16 0.00 0.00 179.01 178.54 1eei h ARG 67 N 0.36 0.95 -0.68 2.33 2.43 -0.90 -2.38 114.38 116.49 1eei h ARG 67 Ca 0.01 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1eei h ARG 67 Cb 1.04 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1eei h ARG 67 CO 0.09 1.02 0.31 1.98 -1.51 0.00 0.00 179.97 181.87 1eei h MET 68 N 0.81 0.98 -0.47 0.20 4.05 -1.08 0.20 114.93 119.61 1eei h MET 68 Ca 0.13 -0.14 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1eei h MET 68 Cb 0.66 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1eei h MET 68 CO 0.05 0.77 -0.22 0.87 0.23 0.00 0.00 176.91 178.61 1eei h LYS 69 N 0.97 0.97 -0.40 0.39 1.57 -1.36 -0.99 116.57 117.73 1eei h LYS 69 Ca 0.24 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1eei h LYS 69 Cb 0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1eei h LYS 69 CO -0.03 1.08 0.24 -0.44 -0.57 0.00 0.00 179.45 179.73 1eei h ASP 70 N 0.84 0.38 -0.43 0.86 3.32 -0.87 -2.17 116.42 118.35 1eei h ASP 70 Ca 0.11 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1eei h ASP 70 Cb 0.79 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1eei h ASP 70 CO 0.07 0.28 0.26 0.74 -1.72 0.00 0.00 179.24 178.87 1eei h THR 71 N 0.48 1.06 -0.58 0.35 2.02 -0.69 -2.46 112.91 113.09 1eei h THR 71 Ca 0.16 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1eei h THR 71 Cb 0.00 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1eei h THR 71 CO -0.07 0.10 -0.01 -0.07 0.37 0.00 0.00 175.52 175.84 1eei h LEU 72 N 0.53 1.00 -0.04 2.58 3.38 -1.00 -0.51 115.31 121.25 1eei h LEU 72 Ca 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1eei h LEU 72 Cb -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1eei h LEU 72 CO -0.07 1.05 0.02 -0.09 0.09 0.00 0.00 178.44 179.44 1eei h ARG 73 N 0.93 0.05 -0.30 1.13 2.43 -1.19 0.55 114.38 117.98 1eei h ARG 73 Ca 0.17 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.15 1eei h ARG 73 Cb 0.55 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1eei h ARG 73 CO 0.03 0.13 -0.51 0.97 -1.51 0.00 0.00 179.97 179.08 1eei h ILE 74 N -0.04 1.28 -0.31 1.20 6.09 -1.41 0.46 117.51 124.78 1eei h ILE 74 Ca 0.01 -1.69 0.03 0.00 -1.37 0.00 0.00 64.86 61.84 1eei h ILE 74 Cb 0.09 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 1eei h ILE 74 CO -0.00 0.55 0.12 0.00 -3.07 0.00 0.00 178.15 175.75 1eei h ALA 75 N 0.74 0.36 0.50 0.18 0.00 -1.04 0.27 119.26 120.26 1eei h ALA 75 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1eei h ALA 75 Cb 1.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1eei h ALA 75 CO 0.11 -0.28 -0.33 -0.92 0.00 0.00 0.00 179.25 177.83 1eei h TYR 76 N 0.26 -0.88 0.00 0.00 3.20 -0.62 0.16 116.97 119.10 1eei h TYR 76 Ca 0.13 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1eei h TYR 76 Cb 0.09 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1eei h TYR 76 CO -0.13 -0.50 -0.04 -0.07 -1.64 0.00 0.00 178.16 175.78 1eei h LEU 77 N -0.80 0.00 -1.65 2.82 3.38 -0.53 -1.53 115.31 117.00 1eei h LEU 77 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1eei h LEU 77 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1eei h LEU 77 CO 0.04 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1eei n THR 78 N -4.20 0.01 -2.48 0.22 -2.24 0.91 -4.94 114.28 101.56 1eei n THR 78 Ca -0.03 -0.43 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1eei n THR 78 Cb 0.13 1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.00 -2.08 -1.76 -0.78 1.02 0.39 -4.91 120.64 113.52 1eei n GLU 79 Ca 0.16 0.99 -0.41 0.00 -0.02 0.00 0.00 57.16 57.87 1eei n GLU 79 Cb 0.53 -5.68 -0.01 0.00 -0.02 0.00 0.00 31.44 26.26 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 -2.21 2.31 -2.44 0.62 0.00 -0.15 -4.73 120.51 113.91 1eei n ALA 80 Ca -0.23 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1eei n ALA 80 Cb 0.68 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.66 4.39 -0.22 0.00 2.20 -1.26 -4.33 119.74 118.86 1eei s LYS 81 Ca 0.56 1.72 -0.13 0.00 -0.36 0.00 0.00 55.97 57.76 1eei s LYS 81 Cb -0.49 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1eei s LYS 81 CO 0.60 -0.37 0.28 0.08 -0.36 0.00 0.00 175.35 175.58 1eei s VAL 82 N 1.73 5.28 0.00 4.02 1.01 0.07 -3.56 120.40 128.94 1eei s VAL 82 Ca 0.57 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1eei s VAL 82 Cb -0.27 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1eei s VAL 82 CO 0.25 0.29 0.14 1.21 0.00 0.00 0.00 175.10 177.00 1eei n GLU 83 N 4.41 0.00 -4.24 2.72 2.13 0.26 -0.93 120.64 124.99 1eei n GLU 83 Ca -0.12 0.50 -0.13 0.00 0.66 0.00 0.00 57.16 58.07 1eei n GLU 83 Cb 0.52 -1.07 -0.10 0.00 0.27 0.00 0.00 31.44 31.06 1eei n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1eei s LYS 84 N -1.28 1.11 -0.04 5.31 1.02 -1.14 -0.54 119.74 124.19 1eei s LYS 84 Ca 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.46 1eei s LYS 84 Cb 0.00 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1eei s LYS 84 CO 0.00 -0.15 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.73 1eei s LEU 85 N -3.17 1.43 -0.20 3.17 1.43 -0.72 -1.30 118.68 119.31 1eei s LEU 85 Ca 0.25 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1eei s LEU 85 Cb 0.06 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.84 1eei s LEU 85 CO 0.04 -0.04 0.19 0.00 0.23 0.00 0.00 176.35 176.78 1eei s VAL 87 N 0.59 1.01 -0.24 0.00 -7.23 -0.67 -0.46 120.40 113.41 1eei s VAL 87 Ca 0.11 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.09 1eei s VAL 87 Cb -0.12 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1eei s VAL 87 CO 0.01 -0.45 0.40 0.26 -0.31 0.00 0.00 175.10 175.01 1eei s TRP 88 N -3.44 3.31 -1.76 2.82 0.51 0.21 -2.27 118.94 118.32 1eei s TRP 88 Ca 0.25 0.53 0.09 0.00 -2.12 0.00 0.00 56.10 54.85 1eei s TRP 88 Cb 0.05 -2.56 0.30 0.00 -0.81 0.00 0.00 33.47 30.45 1eei s TRP 88 CO 0.06 -0.12 1.20 0.27 -0.51 0.00 0.00 176.95 177.85 1eei n ASN 89 N 4.92 1.98 -1.56 2.95 0.23 0.12 -2.27 115.26 121.64 1eei n ASN 89 Ca -0.08 -2.07 0.06 0.00 -0.53 0.00 0.00 54.58 51.96 1eei n ASN 89 Cb 0.51 -0.28 0.34 0.00 -2.08 0.00 0.00 39.78 38.27 1eei n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eei n ASN 90 N 0.42 4.97 -4.07 0.53 6.94 -1.26 -4.91 115.26 117.88 1eei n ASN 90 Ca 0.11 -3.02 -0.12 0.00 -0.02 0.00 0.00 54.58 51.53 1eei n ASN 90 Cb 0.34 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 37.01 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 -2.83 0.56 -0.14 -3.83 -0.14 -1.25 -5.08 119.74 107.03 1eei s LYS 91 Ca 0.50 -0.85 -0.00 0.00 -1.36 0.00 0.00 55.97 54.26 1eei s LYS 91 Cb 0.40 -0.23 0.03 0.00 -1.68 0.00 0.00 37.83 36.34 1eei s LYS 91 CO 0.13 0.03 -0.08 0.99 -0.76 0.00 0.00 175.35 175.65 1eei s THR 92 N -1.83 1.20 1.02 2.17 2.01 -1.26 -2.90 115.64 116.05 1eei s THR 92 Ca -0.06 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1eei s THR 92 Cb -0.07 -1.24 0.20 0.00 0.01 0.00 0.00 72.50 71.40 1eei s THR 92 CO -0.01 0.31 1.08 -2.84 -0.69 0.00 0.00 174.62 172.47 1eei s PRO 93 N 1.62 0.27 0.28 4.92 0.02 -1.26 -5.05 135.00 135.80 1eei s PRO 93 Ca 0.03 0.72 -0.30 0.00 0.02 0.00 0.00 61.00 61.47 1eei s PRO 93 Cb -0.14 -1.70 -0.12 0.00 0.02 0.00 0.00 34.50 32.56 1eei s PRO 93 CO -0.09 -2.89 1.62 0.72 -0.33 0.00 0.00 177.00 176.03 1eei n HIS 94 N -4.32 2.83 -3.07 6.54 8.25 -1.14 -4.55 115.22 119.76 1eei n HIS 94 Ca 0.05 0.22 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 1eei n HIS 94 Cb 0.56 -2.61 -0.06 0.00 1.12 0.00 0.00 29.99 29.00 1eei n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1eei s ALA 95 N 0.21 3.58 0.15 -1.41 0.00 -0.96 -1.36 121.76 121.96 1eei s ALA 95 Ca 0.66 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 1eei s ALA 95 Cb -0.50 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1eei s ALA 95 CO 0.46 -0.70 1.41 0.42 0.00 0.00 0.00 175.76 177.34 1eei s ILE 96 N 2.27 3.12 -0.13 0.00 1.01 -0.27 0.65 121.20 127.86 1eei s ILE 96 Ca 0.29 0.83 0.08 0.00 0.00 0.00 0.00 60.65 61.85 1eei s ILE 96 Cb -0.16 -3.53 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 1eei s ILE 96 CO 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 174.94 175.10 1eei n ALA 97 N 3.60 1.70 -3.40 9.38 0.00 0.39 -4.85 120.51 127.33 1eei n ALA 97 Ca 0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1eei n ALA 97 Cb 0.42 0.04 -0.02 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 -2.29 -1.52 0.01 0.00 0.00 -0.94 -4.97 121.76 112.04 1eei s ALA 98 Ca -0.10 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1eei s ALA 98 Cb 0.04 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1eei s ALA 98 CO 0.45 -0.77 -0.01 -1.50 0.00 0.00 0.00 175.76 173.93 1eei s ILE 99 N -3.76 0.04 -0.04 0.00 2.07 -1.26 -1.34 121.20 116.91 1eei s ILE 99 Ca 0.02 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 58.95 1eei s ILE 99 Cb -0.01 -0.11 -0.00 0.00 0.13 0.00 0.00 42.46 42.47 1eei s ILE 99 CO -0.12 -0.19 -0.16 -0.94 -1.91 0.00 0.00 174.94 171.62 1eei s SER 100 N -0.56 1.97 -0.06 4.50 1.04 -0.42 -5.01 113.70 115.16 1eei s SER 100 Ca -0.06 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1eei s SER 100 Cb -0.04 -0.49 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1eei s SER 100 CO -0.00 0.15 -0.14 -0.04 0.98 0.00 0.00 173.24 174.18 1eei s MET 101 N -0.00 1.80 -0.04 4.02 -1.94 -1.26 -0.57 119.30 121.31 1eei s MET 101 Ca -0.02 -0.49 -0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1eei s MET 101 Cb -0.10 -1.49 0.01 0.00 2.01 0.00 0.00 34.83 35.26 1eei s MET 101 CO 0.01 0.08 0.21 0.00 -0.01 0.00 0.00 175.02 175.32 1eei s ALA 102 N 0.50 -0.51 -1.30 3.03 0.00 -1.23 -4.87 121.76 117.37 1eei s ALA 102 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1eei s ALA 102 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1eei s ALA 102 CO 0.04 -0.18 0.33 0.27 0.00 0.00 0.00 175.76 176.21