#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djr s PRO 2 N 0.00 2.00 0.00 0.00 0.02 -1.26 -4.94 135.00 130.81 1djr s PRO 2 Ca 0.00 1.88 0.10 0.00 0.02 0.00 0.00 61.00 63.01 1djr s PRO 2 Cb 0.00 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.65 1djr s PRO 2 CO 0.00 -1.97 0.53 1.04 -0.33 0.00 0.00 177.00 176.26 1djr n GLN 3 N -2.74 2.97 -3.85 5.54 6.02 -1.26 -4.98 117.38 119.08 1djr n GLN 3 Ca 0.14 -0.26 -0.09 0.00 -0.01 0.00 0.00 57.00 56.78 1djr n GLN 3 Cb 0.50 -1.03 -0.07 0.00 1.02 0.00 0.00 30.24 30.65 1djr n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1djr s THR 4 N -1.73 0.13 0.43 5.09 -4.23 -1.26 -5.04 115.64 109.03 1djr s THR 4 Ca 0.06 -1.10 0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1djr s THR 4 Cb 0.08 -1.23 0.31 0.00 1.34 0.00 0.00 72.50 73.00 1djr s THR 4 CO 0.36 -0.61 2.00 -0.29 -0.54 0.00 0.00 174.62 175.54 1djr h ILE 5 N 2.92 0.96 -0.41 2.99 2.10 -1.96 -1.94 117.51 122.16 1djr h ILE 5 Ca -0.34 -0.16 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 1djr h ILE 5 Cb 1.20 0.46 -0.02 0.00 -1.09 0.00 0.00 36.82 37.38 1djr h ILE 5 CO 0.54 0.08 0.02 0.74 -1.08 0.00 0.00 178.15 178.45 1djr h THR 6 N 0.45 1.26 -0.22 2.19 2.02 -1.99 0.80 112.91 117.42 1djr h THR 6 Ca 0.24 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1djr h THR 6 Cb 0.36 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1djr h THR 6 CO -0.06 0.33 0.05 -0.33 0.37 0.00 0.00 175.52 175.88 1djr h GLU 7 N 0.55 0.35 -0.01 6.66 5.08 -1.92 -1.70 114.58 123.59 1djr h GLU 7 Ca 0.12 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1djr h GLU 7 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1djr h GLU 7 CO 0.02 0.47 0.00 1.25 -1.00 0.00 0.00 179.01 179.75 1djr h LEU 8 N 0.17 0.01 -1.62 1.33 6.46 -1.18 -2.66 115.31 117.82 1djr h LEU 8 Ca 0.07 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1djr h LEU 8 Cb 0.27 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1djr h LEU 8 CO 0.00 0.07 -0.15 0.00 -0.62 0.00 0.00 178.44 177.74 1djr n SER 10 N -4.33 0.65 -0.00 0.00 3.41 -0.65 -2.61 113.62 110.08 1djr n SER 10 Ca -0.02 0.72 0.15 0.00 -0.26 0.00 0.00 58.87 59.46 1djr n SER 10 Cb 0.23 -0.83 0.85 0.00 -0.26 0.00 0.00 64.21 64.20 1djr n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1djr n GLU 11 N -2.28 0.71 -4.38 4.33 1.02 -0.68 -4.82 120.64 114.53 1djr n GLU 11 Ca 0.00 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1djr n GLU 11 Cb 0.14 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.95 1djr n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1djr s TYR 12 N -2.30 2.54 -0.95 -0.32 1.51 -1.07 -5.06 117.35 111.70 1djr s TYR 12 Ca 0.38 -0.26 0.23 0.00 -1.01 0.00 0.00 57.07 56.40 1djr s TYR 12 Cb 0.21 -1.37 0.05 0.00 -0.11 0.00 0.00 41.96 40.74 1djr s TYR 12 CO 0.42 0.36 1.08 0.54 -1.11 0.00 0.00 175.55 176.84 1djr n ARG 13 N 0.95 0.04 -0.63 -0.62 1.74 -1.26 -4.25 116.66 112.62 1djr n ARG 13 Ca -0.16 -0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.98 1djr n ARG 13 Cb 0.53 -1.51 0.20 0.00 -1.02 0.00 0.00 32.46 30.66 1djr n ARG 13 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1djr n ASN 14 N -1.55 1.69 -4.88 0.55 3.02 -1.26 -5.06 115.26 107.76 1djr n ASN 14 Ca 0.04 -3.82 -0.21 0.00 -0.03 0.00 0.00 54.58 50.57 1djr n ASN 14 Cb 0.35 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 1djr n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1djr s THR 15 N -3.09 3.66 -0.17 3.41 -4.23 -1.26 -0.92 115.64 113.04 1djr s THR 15 Ca 0.38 -1.30 -0.15 0.00 -1.18 0.00 0.00 61.69 59.43 1djr s THR 15 Cb 0.37 -3.24 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1djr s THR 15 CO -0.07 -0.18 0.45 -1.58 -0.54 0.00 0.00 174.62 172.70 1djr s GLN 16 N -4.02 0.51 -0.13 3.99 0.74 -0.32 -4.87 119.66 115.56 1djr s GLN 16 Ca 0.41 0.64 -0.21 0.00 0.05 0.00 0.00 55.36 56.25 1djr s GLN 16 Cb -0.06 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1djr s GLN 16 CO 0.27 -0.07 0.63 0.42 -0.55 0.00 0.00 175.29 175.99 1djr s ILE 17 N 0.37 5.06 -0.27 -2.34 -1.09 -1.26 -1.05 121.20 120.63 1djr s ILE 17 Ca -0.01 1.24 -0.08 0.00 -2.23 0.00 0.00 60.65 59.56 1djr s ILE 17 Cb -0.04 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1djr s ILE 17 CO -0.01 0.20 0.10 -0.31 -1.23 0.00 0.00 174.94 173.69 1djr s TYR 18 N 1.26 3.12 -0.43 3.97 1.51 0.19 -4.99 117.35 121.99 1djr s TYR 18 Ca 0.31 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.70 1djr s TYR 18 Cb -0.16 -2.28 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1djr s TYR 18 CO 0.13 -0.36 1.00 0.99 -1.11 0.00 0.00 175.55 176.20 1djr s THR 19 N 1.63 4.43 -0.23 -0.71 2.01 -1.26 -1.36 115.64 120.14 1djr s THR 19 Ca 0.06 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.99 1djr s THR 19 Cb -0.16 -4.46 -0.12 0.00 0.01 0.00 0.00 72.50 67.78 1djr s THR 19 CO 0.05 -0.78 -0.18 -0.38 -0.69 0.00 0.00 174.62 172.64 1djr n ILE 20 N 6.38 1.52 -4.20 1.82 2.08 0.26 -5.01 119.36 122.20 1djr n ILE 20 Ca 0.09 -0.15 -0.30 0.00 0.56 0.00 0.00 62.75 62.95 1djr n ILE 20 Cb 0.48 -2.05 -0.07 0.00 -0.75 0.00 0.00 39.64 37.26 1djr n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1djr n ASN 21 N -4.37 0.15 -3.46 4.38 5.15 -0.02 -4.92 115.26 112.17 1djr n ASN 21 Ca -0.38 -1.17 -0.11 0.00 -0.60 0.00 0.00 54.58 52.32 1djr n ASN 21 Cb 0.71 -2.16 -0.02 0.00 -0.53 0.00 0.00 39.78 37.78 1djr n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1djr s ASP 22 N -4.26 -0.50 0.70 1.20 2.15 -0.76 -4.91 116.67 110.28 1djr s ASP 22 Ca 0.09 0.07 -0.11 0.00 0.43 0.00 0.00 52.55 53.02 1djr s ASP 22 Cb -0.05 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.10 1djr s ASP 22 CO 0.96 -0.81 1.07 -1.59 -0.17 0.00 0.00 175.17 174.62 1djr s LYS 23 N -3.28 2.90 0.16 4.34 -2.85 -1.26 -0.74 119.74 119.02 1djr s LYS 23 Ca 0.01 0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 55.45 1djr s LYS 23 Cb -0.01 -2.00 -0.09 0.00 -2.06 0.00 0.00 37.83 33.67 1djr s LYS 23 CO -0.10 -1.07 1.40 0.42 0.10 0.00 0.00 175.35 176.10 1djr s ILE 24 N -3.14 3.10 -0.05 3.79 1.01 -1.26 -4.74 121.20 119.90 1djr s ILE 24 Ca 0.58 0.83 -0.18 0.00 0.00 0.00 0.00 60.65 61.87 1djr s ILE 24 Cb -0.13 -3.53 -0.31 0.00 0.01 0.00 0.00 42.46 38.50 1djr s ILE 24 CO 0.54 0.09 0.79 0.25 0.00 0.00 0.00 174.94 176.61 1djr h LEU 25 N 6.24 0.52 -7.93 2.97 5.85 -1.07 -3.48 115.31 118.41 1djr h LEU 25 Ca -0.43 -0.92 -0.18 0.00 0.84 0.00 0.00 57.88 57.19 1djr h LEU 25 Cb 1.21 -0.17 -0.22 0.00 0.37 0.00 0.00 40.66 41.85 1djr h LEU 25 CO 0.84 1.55 -0.69 -0.94 -0.34 0.00 0.00 178.44 178.86 1djr s SER 26 N -7.12 0.19 -0.09 1.25 1.04 -1.07 -4.98 113.70 102.92 1djr s SER 26 Ca -0.15 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1djr s SER 26 Cb 0.03 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1djr s SER 26 CO 0.83 -0.25 -0.15 -0.47 0.98 0.00 0.00 173.24 174.18 1djr s TYR 27 N -1.22 1.83 -0.02 5.02 6.14 -1.26 -1.66 117.35 126.18 1djr s TYR 27 Ca -0.13 -0.77 0.05 0.00 0.64 0.00 0.00 57.07 56.86 1djr s TYR 27 Cb -0.08 -1.31 -0.01 0.00 0.42 0.00 0.00 41.96 40.98 1djr s TYR 27 CO -0.01 -0.38 -0.16 0.99 0.64 0.00 0.00 175.55 176.63 1djr s THR 28 N 0.76 1.27 -0.03 4.34 2.01 0.20 -5.00 115.64 119.18 1djr s THR 28 Ca -0.12 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1djr s THR 28 Cb -0.16 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1djr s THR 28 CO 0.02 0.36 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.61 1djr s GLU 29 N -0.28 0.35 -0.04 4.92 2.12 -1.26 -0.87 118.70 123.65 1djr s GLU 29 Ca 0.04 0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1djr s GLU 29 Cb -0.07 -0.48 -0.01 0.00 0.26 0.00 0.00 34.13 33.83 1djr s GLU 29 CO -0.00 -0.09 -0.18 0.45 -0.54 0.00 0.00 175.26 174.89 1djr s SER 30 N 0.82 2.27 -0.02 -1.70 0.15 -0.47 -4.99 113.70 109.76 1djr s SER 30 Ca -0.09 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1djr s SER 30 Cb -0.12 -0.57 0.34 0.00 -1.71 0.00 0.00 66.02 63.96 1djr s SER 30 CO -0.01 0.18 1.28 1.15 1.20 0.00 0.00 173.24 177.03 1djr n MET 31 N 3.03 2.89 -2.11 5.44 0.00 -1.26 -2.44 117.12 122.67 1djr n MET 31 Ca -0.17 -2.16 -0.41 0.00 0.00 0.00 0.00 57.70 54.96 1djr n MET 31 Cb 0.53 -1.35 -0.02 0.00 0.00 0.00 0.00 33.22 32.38 1djr n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1djr s ALA 32 N -1.25 3.55 0.24 3.17 0.00 -1.26 -4.86 121.76 121.34 1djr s ALA 32 Ca 0.26 1.24 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 1djr s ALA 32 Cb 0.15 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1djr s ALA 32 CO 0.15 -0.64 1.68 0.41 0.00 0.00 0.00 175.76 177.36 1djr n GLY 33 N 1.66 1.47 3.15 0.00 0.00 -1.26 -1.04 105.19 109.18 1djr n GLY 33 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1djr n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1djr n LYS 34 N 3.37 -0.37 -2.42 1.61 5.02 -1.26 -4.84 118.16 119.27 1djr n LYS 34 Ca 0.14 0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 56.36 1djr n LYS 34 Cb 0.35 -3.70 0.03 0.00 -0.02 0.00 0.00 35.03 31.69 1djr n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1djr n ARG 35 N -1.62 2.71 -2.70 1.97 5.12 -0.20 -4.97 116.66 116.97 1djr n ARG 35 Ca 0.00 -3.91 -0.42 0.00 -1.93 0.00 0.00 57.85 51.59 1djr n ARG 35 Cb 0.09 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.42 1djr n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1djr s GLU 36 N -3.60 3.50 0.22 5.56 8.01 -1.18 -4.37 118.70 126.85 1djr s GLU 36 Ca 0.40 -1.18 -0.13 0.00 0.01 0.00 0.00 54.97 54.07 1djr s GLU 36 Cb 0.39 -4.99 0.00 0.00 -4.31 0.00 0.00 34.13 25.22 1djr s GLU 36 CO -0.02 -2.04 0.46 0.00 0.01 0.00 0.00 175.26 173.67 1djr s MET 37 N 4.30 1.46 0.00 1.61 0.23 -1.02 -4.15 119.30 121.72 1djr s MET 37 Ca 0.39 -1.16 0.06 0.00 -1.03 0.00 0.00 55.69 53.94 1djr s MET 37 Cb -0.04 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 1djr s MET 37 CO -0.05 -0.60 -0.18 0.08 -2.03 0.00 0.00 175.02 172.24 1djr s VAL 38 N -3.98 1.47 -0.05 5.16 1.01 -1.22 -1.36 120.40 121.42 1djr s VAL 38 Ca 0.19 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1djr s VAL 38 Cb -0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1djr s VAL 38 CO 0.05 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.68 1djr s ILE 39 N -0.55 1.45 0.13 2.22 1.01 -0.05 -1.14 121.20 124.27 1djr s ILE 39 Ca 0.07 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1djr s ILE 39 Cb -0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1djr s ILE 39 CO 0.00 0.42 -0.20 0.27 0.00 0.00 0.00 174.94 175.43 1djr s ILE 40 N 0.10 1.72 0.15 2.92 -4.36 0.13 -0.63 121.20 121.24 1djr s ILE 40 Ca -0.05 -1.68 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 1djr s ILE 40 Cb -0.12 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1djr s ILE 40 CO 0.03 -0.17 -0.08 0.42 0.24 0.00 0.00 174.94 175.38 1djr s THR 41 N -1.52 1.04 0.25 8.37 -4.23 -0.67 -0.93 115.64 117.95 1djr s THR 41 Ca 0.10 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1djr s THR 41 Cb -0.08 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1djr s THR 41 CO 0.05 -0.70 -0.17 -0.36 -0.54 0.00 0.00 174.62 172.90 1djr s PHE 42 N -3.41 2.03 0.54 3.99 0.08 -0.61 -0.42 117.98 120.18 1djr s PHE 42 Ca 0.18 -0.44 0.26 0.00 0.12 0.00 0.00 56.93 57.05 1djr s PHE 42 Cb 0.04 -0.90 1.64 0.00 -0.57 0.00 0.00 43.02 43.22 1djr s PHE 42 CO 0.01 0.55 2.20 -0.22 -0.10 0.00 0.00 175.22 177.66 1djr h LYS 43 N 2.41 0.00 0.00 0.44 3.64 -1.89 0.19 116.57 121.36 1djr h LYS 43 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1djr h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1djr h LYS 43 CO 0.61 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 178.48 1djr h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.97 -3.46 113.55 116.96 1djr h SER 44 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1djr h SER 44 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1djr h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1djr n GLY 45 N -0.87 1.89 3.73 -0.77 0.00 0.68 -5.07 105.19 104.78 1djr n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1djr n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1djr s GLU 46 N -0.98 4.14 0.01 1.61 0.41 -1.26 -4.76 118.70 117.87 1djr s GLU 46 Ca 0.00 2.56 0.06 0.00 -0.41 0.00 0.00 54.97 57.18 1djr s GLU 46 Cb 0.00 -3.07 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1djr s GLU 46 CO 0.00 -0.68 -0.20 0.99 -0.49 0.00 0.00 175.26 174.88 1djr s THR 47 N 0.74 1.55 0.03 3.63 2.01 -1.26 -1.57 115.64 120.77 1djr s THR 47 Ca 0.70 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1djr s THR 47 Cb -0.48 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1djr s THR 47 CO 0.38 0.34 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.26 1djr s PHE 48 N -0.59 0.32 0.19 4.92 0.08 -0.11 -3.88 117.98 118.92 1djr s PHE 48 Ca 0.07 -0.66 0.10 0.00 0.12 0.00 0.00 56.93 56.56 1djr s PHE 48 Cb -0.08 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 1djr s PHE 48 CO 0.00 -0.24 -0.20 1.14 -0.10 0.00 0.00 175.22 175.82 1djr s GLN 49 N -2.11 1.41 -0.30 0.44 -2.07 -0.43 -0.69 119.66 115.90 1djr s GLN 49 Ca -0.10 -1.51 -0.10 0.00 -1.82 0.00 0.00 55.36 51.83 1djr s GLN 49 Cb -0.05 -1.55 -0.02 0.00 -1.09 0.00 0.00 33.01 30.30 1djr s GLN 49 CO -0.03 0.32 0.17 0.08 -1.32 0.00 0.00 175.29 174.50 1djr s VAL 50 N -2.04 4.90 0.67 3.63 1.01 -0.29 -0.64 120.40 127.64 1djr s VAL 50 Ca 0.20 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1djr s VAL 50 Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1djr s VAL 50 CO 0.09 0.13 1.26 -1.61 0.00 0.00 0.00 175.10 174.97 1djr s GLU 51 N 1.67 2.44 0.31 2.72 2.02 -1.26 -3.40 118.70 123.21 1djr s GLU 51 Ca 0.06 1.97 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 1djr s GLU 51 Cb -0.17 -1.84 -0.11 0.00 0.10 0.00 0.00 34.13 32.11 1djr s GLU 51 CO 0.08 -1.66 1.58 0.08 0.02 0.00 0.00 175.26 175.36 1djr s VAL 52 N -1.58 2.03 0.30 2.63 1.01 -1.26 -4.89 120.40 118.65 1djr s VAL 52 Ca 0.80 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1djr s VAL 52 Cb -0.35 -3.02 -0.12 0.00 0.00 0.00 0.00 36.38 32.90 1djr s VAL 52 CO 0.41 0.00 1.54 -2.65 0.00 0.00 0.00 175.10 174.40 1djr n PRO 53 N 1.81 2.58 -0.25 2.72 -0.02 -1.26 -4.94 135.00 135.64 1djr n PRO 53 Ca 0.07 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1djr n PRO 53 Cb 0.38 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1djr n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djr n GLY 54 N 1.85 2.21 0.00 -1.23 0.00 -1.26 -5.03 105.19 101.73 1djr n GLY 54 Ca 0.08 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1djr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1djr n SER 55 N -0.14 0.00 -0.01 1.61 3.41 -1.26 -0.96 113.62 116.26 1djr n SER 55 Ca 0.00 -1.42 0.14 0.00 -0.26 0.00 0.00 58.87 57.33 1djr n SER 55 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 1djr n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djr n GLN 56 N -0.77 0.09 -4.07 4.33 0.00 -1.26 -4.83 117.38 110.87 1djr n GLN 56 Ca 0.13 -0.02 -0.29 0.00 0.00 0.00 0.00 57.00 56.82 1djr n GLN 56 Cb 0.06 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.73 1djr n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1djr s HIS 57 N -2.92 3.14 0.39 2.61 3.76 -0.14 -5.13 115.29 117.00 1djr s HIS 57 Ca 0.16 0.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 1djr s HIS 57 Cb 0.19 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 1djr s HIS 57 CO 0.55 0.52 0.55 0.96 -0.85 0.00 0.00 174.74 176.47 1djr s ILE 58 N -1.50 3.78 0.36 0.60 -4.36 -1.26 -4.94 121.20 113.88 1djr s ILE 58 Ca 0.29 -0.87 0.04 0.00 -0.26 0.00 0.00 60.65 59.85 1djr s ILE 58 Cb -0.11 -3.33 0.27 0.00 1.25 0.00 0.00 42.46 40.54 1djr s ILE 58 CO 0.22 -0.15 2.01 -0.78 0.24 0.00 0.00 174.94 176.47 1djr h ASP 59 N 0.69 0.68 0.36 4.36 1.82 -2.00 -0.97 116.42 121.35 1djr h ASP 59 Ca -0.45 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1djr h ASP 59 Cb 1.26 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1djr h ASP 59 CO 0.52 0.48 0.00 -1.54 -1.61 0.00 0.00 179.24 177.09 1djr n SER 60 N -4.45 0.51 0.08 2.28 3.41 -1.26 -1.72 113.62 112.46 1djr n SER 60 Ca 0.07 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 1djr n SER 60 Cb 0.08 -0.76 0.25 0.00 -0.26 0.00 0.00 64.21 63.52 1djr n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djr n GLN 61 N -2.11 0.28 0.02 4.33 6.02 -0.37 -4.43 117.38 121.12 1djr n GLN 61 Ca 0.01 0.13 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1djr n GLN 61 Cb 0.13 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 29.58 1djr n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1djr h LYS 62 N 0.00 0.02 -0.55 -1.09 1.79 -1.45 0.70 116.57 115.99 1djr h LYS 62 Ca 0.00 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1djr h LYS 62 Cb 0.74 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.36 1djr h LYS 62 CO 0.00 0.17 0.16 0.87 -1.08 0.00 0.00 179.45 179.58 1djr h LYS 63 N -0.14 0.82 -0.07 3.15 1.57 -1.79 -2.82 116.57 117.29 1djr h LYS 63 Ca 0.00 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1djr h LYS 63 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1djr h LYS 63 CO -0.00 0.71 -0.36 0.00 -0.57 0.00 0.00 179.45 179.24 1djr h ALA 64 N 1.39 1.27 -0.40 3.86 0.00 -1.57 -1.08 119.26 122.73 1djr h ALA 64 Ca 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1djr h ALA 64 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1djr h ALA 64 CO -0.01 0.51 0.11 0.82 0.00 0.00 0.00 179.25 180.68 1djr h ILE 65 N 0.13 1.22 -0.73 0.00 2.04 -0.64 -0.26 117.51 119.27 1djr h ILE 65 Ca 0.01 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1djr h ILE 65 Cb 0.69 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1djr h ILE 65 CO 0.05 0.26 0.27 -0.33 0.00 0.00 0.00 178.15 178.40 1djr h GLU 66 N 0.50 1.10 -0.51 2.37 4.39 -1.27 -2.39 114.58 118.77 1djr h GLU 66 Ca 0.13 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1djr h GLU 66 Cb 0.28 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1djr h GLU 66 CO -0.00 0.92 0.30 -0.09 -1.16 0.00 0.00 179.01 178.97 1djr h ARG 67 N 1.06 0.57 -0.78 2.33 2.43 -0.97 -1.71 114.38 117.30 1djr h ARG 67 Ca 0.24 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1djr h ARG 67 Cb 0.24 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1djr h ARG 67 CO -0.02 0.38 0.39 1.98 -1.51 0.00 0.00 179.97 181.19 1djr h MET 68 N 0.59 1.11 -0.77 0.20 4.05 -0.74 0.76 114.93 120.14 1djr h MET 68 Ca 0.21 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1djr h MET 68 Cb 0.04 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.60 1djr h MET 68 CO -0.10 0.85 0.29 0.87 0.23 0.00 0.00 176.91 179.05 1djr h LYS 69 N 1.09 1.16 -0.59 0.39 1.57 -1.21 -0.60 116.57 118.38 1djr h LYS 69 Ca 0.27 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1djr h LYS 69 Cb 0.10 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1djr h LYS 69 CO -0.04 0.95 0.33 -0.44 -0.57 0.00 0.00 179.45 179.68 1djr h ASP 70 N 1.12 0.51 -0.45 0.86 3.32 -0.41 -2.33 116.42 119.05 1djr h ASP 70 Ca 0.25 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1djr h ASP 70 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1djr h ASP 70 CO -0.02 0.34 0.27 0.74 -1.72 0.00 0.00 179.24 178.85 1djr h THR 71 N 0.64 1.15 -0.49 0.35 2.02 -0.36 -2.46 112.91 113.75 1djr h THR 71 Ca 0.25 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1djr h THR 71 Cb 0.11 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1djr h THR 71 CO -0.14 0.15 -0.01 -0.07 0.37 0.00 0.00 175.52 175.82 1djr h LEU 72 N 0.60 0.79 -0.17 2.58 3.38 -0.86 -0.24 115.31 121.39 1djr h LEU 72 Ca 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1djr h LEU 72 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1djr h LEU 72 CO -0.03 0.86 0.07 -0.09 0.09 0.00 0.00 178.44 179.34 1djr h ARG 73 N 0.77 0.26 -0.07 1.13 2.43 -1.24 -1.00 114.38 116.66 1djr h ARG 73 Ca 0.15 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1djr h ARG 73 Cb 0.47 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1djr h ARG 73 CO 0.02 0.34 -0.60 0.97 -1.51 0.00 0.00 179.97 179.19 1djr h ILE 74 N 0.12 1.39 -0.45 1.20 6.09 -1.30 -0.68 117.51 123.87 1djr h ILE 74 Ca 0.06 -1.98 -0.00 0.00 -1.37 0.00 0.00 64.86 61.56 1djr h ILE 74 Cb 0.17 2.01 -0.02 0.00 0.47 0.00 0.00 36.82 39.45 1djr h ILE 74 CO -0.00 0.58 0.28 0.74 -3.07 0.00 0.00 178.15 176.68 1djr h THR 75 N 0.17 1.14 0.17 2.19 2.02 -0.95 -1.35 112.91 116.30 1djr h THR 75 Ca -0.01 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1djr h THR 75 Cb 1.10 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1djr h THR 75 CO 0.09 0.14 -0.20 0.22 0.37 0.00 0.00 175.52 176.14 1djr h TYR 76 N 0.60 -0.53 -0.01 3.16 3.20 -0.85 -1.84 116.97 120.71 1djr h TYR 76 Ca 0.16 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1djr h TYR 76 Cb -0.02 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1djr h TYR 76 CO -0.03 -0.30 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.86 1djr h LEU 77 N -0.42 0.02 -1.25 2.82 3.38 -0.90 -2.44 115.31 116.51 1djr h LEU 77 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1djr h LEU 77 Cb 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1djr h LEU 77 CO -0.07 0.27 -0.07 0.35 0.09 0.00 0.00 178.44 179.01 1djr n THR 78 N -4.23 0.00 -2.47 0.22 -2.24 -0.53 -4.94 114.28 100.09 1djr n THR 78 Ca -0.02 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 1djr n THR 78 Cb 0.31 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1djr n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1djr n GLU 79 N 0.47 -2.07 -2.32 -0.78 1.02 -0.76 -4.93 120.64 111.28 1djr n GLU 79 Ca 0.16 0.95 -0.41 0.00 -0.02 0.00 0.00 57.16 57.84 1djr n GLU 79 Cb 0.45 -5.59 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 1djr n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1djr s THR 80 N -3.02 3.42 0.06 2.62 2.01 -0.81 -4.78 115.64 115.13 1djr s THR 80 Ca 0.04 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1djr s THR 80 Cb -0.02 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1djr s THR 80 CO 0.06 0.20 1.16 -0.75 -0.69 0.00 0.00 174.62 174.59 1djr s LYS 81 N -0.34 4.46 0.03 4.92 2.20 -1.26 -4.34 119.74 125.41 1djr s LYS 81 Ca 0.53 1.71 -0.22 0.00 -0.36 0.00 0.00 55.97 57.64 1djr s LYS 81 Cb -0.34 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 1djr s LYS 81 CO 0.38 -0.21 0.64 0.42 -0.36 0.00 0.00 175.35 176.22 1djr s ILE 82 N 0.99 4.80 -0.01 5.43 -1.09 0.08 -4.44 121.20 126.96 1djr s ILE 82 Ca 0.57 1.35 -0.00 0.00 -2.23 0.00 0.00 60.65 60.34 1djr s ILE 82 Cb -0.28 -3.98 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1djr s ILE 82 CO 0.29 0.44 -0.01 -0.78 -1.23 0.00 0.00 174.94 173.65 1djr h ASP 83 N 5.34 0.00 -4.11 3.58 3.58 -1.20 0.18 116.42 123.78 1djr h ASP 83 Ca -0.46 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.61 1djr h ASP 83 Cb 1.20 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.08 1djr h ASP 83 CO 0.68 0.07 -0.74 -0.54 -2.88 0.00 0.00 179.24 175.83 1djr s LYS 84 N -1.10 0.98 -0.09 0.28 1.02 -1.06 -0.58 119.74 119.20 1djr s LYS 84 Ca -0.01 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 54.76 1djr s LYS 84 Cb 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1djr s LYS 84 CO 0.01 0.13 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.86 1djr s LEU 85 N -2.57 1.94 -0.24 3.17 1.43 -0.46 -1.11 118.68 120.84 1djr s LEU 85 Ca 0.09 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1djr s LEU 85 Cb -0.03 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1djr s LEU 85 CO 0.02 0.12 0.40 0.00 0.23 0.00 0.00 176.35 177.12 1djr s VAL 87 N 1.73 1.38 -0.26 0.00 -7.23 -0.21 -0.54 120.40 115.26 1djr s VAL 87 Ca 0.18 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.45 1djr s VAL 87 Cb -0.15 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1djr s VAL 87 CO 0.09 -0.31 0.99 0.26 -0.31 0.00 0.00 175.10 175.81 1djr s TRP 88 N -1.80 3.28 -1.11 2.82 0.51 0.36 -1.17 118.94 121.84 1djr s TRP 88 Ca 0.07 1.29 0.16 0.00 -2.12 0.00 0.00 56.10 55.50 1djr s TRP 88 Cb -0.07 -3.32 0.66 0.00 -0.81 0.00 0.00 33.47 29.92 1djr s TRP 88 CO 0.03 -0.54 1.54 0.27 -0.51 0.00 0.00 176.95 177.75 1djr n ASN 89 N 6.38 4.40 -1.53 2.95 0.23 -0.10 -1.71 115.26 125.87 1djr n ASN 89 Ca 0.10 -2.44 0.06 0.00 -0.53 0.00 0.00 54.58 51.78 1djr n ASN 89 Cb 0.47 -0.56 0.32 0.00 -2.08 0.00 0.00 39.78 37.92 1djr n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1djr n ASN 90 N 0.95 4.54 -4.22 0.53 6.94 -1.26 -4.90 115.26 117.84 1djr n ASN 90 Ca 0.23 -2.61 -0.17 0.00 -0.02 0.00 0.00 54.58 52.01 1djr n ASN 90 Cb 0.84 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.54 1djr n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1djr s LYS 91 N -2.20 0.96 -0.18 -3.83 -0.14 -1.25 -5.09 119.74 108.01 1djr s LYS 91 Ca 0.43 -1.20 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 1djr s LYS 91 Cb 0.31 -0.78 0.03 0.00 -1.68 0.00 0.00 37.83 35.71 1djr s LYS 91 CO 0.15 0.14 -0.15 0.99 -0.76 0.00 0.00 175.35 175.73 1djr s THR 92 N -2.19 1.78 0.95 2.17 2.01 -1.26 -2.56 115.64 116.55 1djr s THR 92 Ca 0.07 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1djr s THR 92 Cb -0.04 -1.70 0.17 0.00 0.01 0.00 0.00 72.50 70.93 1djr s THR 92 CO 0.02 0.40 1.13 -2.84 -0.69 0.00 0.00 174.62 172.64 1djr s PRO 93 N 1.38 0.70 0.40 4.92 0.02 -1.26 -5.05 135.00 136.11 1djr s PRO 93 Ca 0.03 1.47 -0.25 0.00 0.02 0.00 0.00 61.00 62.27 1djr s PRO 93 Cb -0.14 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.57 1djr s PRO 93 CO -0.11 -2.82 1.06 0.09 -0.33 0.00 0.00 177.00 174.89 1djr n ASN 94 N -4.36 1.50 -4.55 2.53 5.03 -1.06 -4.51 115.26 109.84 1djr n ASN 94 Ca 0.11 1.07 -0.35 0.00 0.87 0.00 0.00 54.58 56.28 1djr n ASN 94 Cb 0.52 -1.37 -0.11 0.00 -1.02 0.00 0.00 39.78 37.80 1djr n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1djr s SER 95 N -0.67 5.31 -0.04 6.41 0.15 -0.70 -1.32 113.70 122.84 1djr s SER 95 Ca 0.62 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.92 1djr s SER 95 Cb -0.57 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1djr s SER 95 CO 0.58 0.11 1.24 -0.63 1.20 0.00 0.00 173.24 175.74 1djr s ILE 96 N 0.77 4.14 -0.23 6.45 1.01 0.19 -0.48 121.20 133.04 1djr s ILE 96 Ca 0.02 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.20 1djr s ILE 96 Cb -0.14 -3.95 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 1djr s ILE 96 CO 0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 174.94 174.81 1djr n ALA 97 N 5.25 1.50 -3.27 9.38 0.00 0.29 -4.87 120.51 128.79 1djr n ALA 97 Ca 0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 1djr n ALA 97 Cb 0.46 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1djr n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1djr s ALA 98 N -2.47 -1.33 0.02 0.00 0.00 -0.66 -4.98 121.76 112.34 1djr s ALA 98 Ca -0.27 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1djr s ALA 98 Cb 0.08 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1djr s ALA 98 CO 0.60 -0.65 -0.08 -1.50 0.00 0.00 0.00 175.76 174.13 1djr s ILE 99 N -3.32 0.57 0.08 0.00 2.07 -1.26 -0.85 121.20 118.49 1djr s ILE 99 Ca -0.01 -0.74 0.05 0.00 -1.41 0.00 0.00 60.65 58.54 1djr s ILE 99 Cb -0.00 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 1djr s ILE 99 CO -0.09 -0.14 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.73 1djr s SER 100 N -0.96 1.58 -0.02 4.50 1.04 -0.27 -4.99 113.70 114.57 1djr s SER 100 Ca -0.04 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 1djr s SER 100 Cb -0.07 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1djr s SER 100 CO 0.00 -0.13 0.07 -0.04 0.98 0.00 0.00 173.24 174.12 1djr s MET 101 N -2.02 0.14 0.08 4.02 -1.94 -1.26 -0.69 119.30 117.63 1djr s MET 101 Ca -0.00 -0.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.97 1djr s MET 101 Cb -0.08 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.78 1djr s MET 101 CO 0.02 -0.02 -0.06 -1.59 -0.01 0.00 0.00 175.02 173.35 1djr s LYS 102 N -0.26 0.72 0.00 2.03 -2.85 -1.26 -4.90 119.74 113.22 1djr s LYS 102 Ca -0.03 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1djr s LYS 102 Cb -0.02 -0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1djr s LYS 102 CO 0.00 -0.02 0.14 0.27 0.10 0.00 0.00 175.35 175.85