#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djr s SER 2 N 0.00 6.60 0.16 1.61 0.01 -1.26 -5.03 113.70 115.79 2djr s SER 2 Ca 0.00 -2.87 0.11 0.00 1.31 0.00 0.00 55.95 54.50 2djr s SER 2 Cb 0.00 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 2djr s SER 2 CO 0.00 -0.49 -0.26 -0.44 0.41 0.00 0.00 173.24 172.46 2djr s SER 3 N 1.77 3.37 -0.04 2.44 0.01 -1.26 -4.98 113.70 115.01 2djr s SER 3 Ca 0.20 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2djr s SER 3 Cb -0.11 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2djr s SER 3 CO -0.08 0.15 0.07 0.61 0.41 0.00 0.00 173.24 174.40 2djr n GLY 4 N 0.61 -4.39 2.89 3.44 0.00 -1.26 -5.00 105.19 101.47 2djr n GLY 4 Ca -0.15 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2djr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djr s SER 5 N -0.35 4.15 -0.70 1.61 0.15 -1.26 -4.96 113.70 112.35 2djr s SER 5 Ca -0.08 -2.87 -0.02 0.00 0.70 0.00 0.00 55.95 53.69 2djr s SER 5 Cb 0.01 -1.48 0.43 0.00 -1.71 0.00 0.00 66.02 63.27 2djr s SER 5 CO 0.21 -0.25 2.00 -1.54 1.20 0.00 0.00 173.24 174.86 2djr n SER 6 N 3.27 7.55 0.00 5.45 3.41 -1.26 -4.94 113.62 127.11 2djr n SER 6 Ca 0.06 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 2djr n SER 6 Cb 0.33 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2djr n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djr n GLY 7 N -0.82 1.05 2.42 5.00 0.00 -1.26 -4.74 105.19 106.84 2djr n GLY 7 Ca 0.60 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2djr n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djr n SER 8 N 0.00 -0.96 -0.03 1.61 3.41 -1.26 -4.70 113.62 111.69 2djr n SER 8 Ca 0.00 0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 58.91 2djr n SER 8 Cb 0.00 -0.95 -0.14 0.00 -0.26 0.00 0.00 64.21 62.86 2djr n SER 8 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2djr n GLU 9 N -2.38 0.68 -0.02 4.33 4.07 -1.26 -4.08 120.64 121.98 2djr n GLU 9 Ca 0.00 0.24 0.24 0.00 -0.06 0.00 0.00 57.16 57.57 2djr n GLU 9 Cb 0.47 -1.71 0.72 0.00 -0.06 0.00 0.00 31.44 30.85 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2djr h ALA 10 N 0.68 2.43 -0.61 4.31 0.00 -1.98 0.11 119.26 124.20 2djr h ALA 10 Ca -0.38 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.69 2djr h ALA 10 Cb 2.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2djr h ALA 10 CO 0.06 -0.87 0.47 -1.49 0.00 0.00 0.00 179.25 177.43 2djr h TRP 11 N 0.00 0.00 0.00 0.00 4.06 -1.90 0.26 115.95 118.37 2djr h TRP 11 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 2djr h TRP 11 Cb 1.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.56 2djr h TRP 11 CO 0.00 0.00 0.09 0.93 -3.56 0.00 0.00 178.44 175.90 2djr h GLU 12 N 0.00 0.00 -0.42 0.49 4.39 -1.04 0.26 114.58 118.26 2djr h GLU 12 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2djr h GLU 12 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2djr h GLU 12 CO -0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 2djr n TYR 13 N -2.90 1.35 -3.75 4.33 4.02 0.90 -4.86 117.16 116.25 2djr n TYR 13 Ca -0.02 -0.77 -0.11 0.00 -0.01 0.00 0.00 57.90 56.99 2djr n TYR 13 Cb 0.15 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.05 2djr n TYR 13 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2djr s PHE 14 N -2.56 -0.08 -0.09 -0.72 0.40 0.92 0.49 117.98 116.35 2djr s PHE 14 Ca 0.46 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2djr s PHE 14 Cb 0.35 0.09 0.05 0.00 0.51 0.00 0.00 43.02 44.02 2djr s PHE 14 CO 0.14 -0.54 0.17 -3.38 0.70 0.00 0.00 175.22 172.31 2djr s HIS 15 N -2.97 -0.21 0.67 0.36 -3.43 0.26 -4.78 115.29 105.19 2djr s HIS 15 Ca -0.02 0.63 -0.17 0.00 -0.80 0.00 0.00 55.06 54.70 2djr s HIS 15 Cb 0.01 -0.16 -0.00 0.00 -1.43 0.00 0.00 32.58 30.99 2djr s HIS 15 CO -0.06 -0.25 1.24 1.28 -2.00 0.00 0.00 174.74 174.95 2djr n LEU 16 N 4.94 5.53 -4.85 5.38 4.77 -1.26 -0.20 117.00 131.30 2djr n LEU 16 Ca -0.12 0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 56.29 2djr n LEU 16 Cb 0.51 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 2djr n LEU 16 CO 0.09 -1.21 0.17 0.00 -1.33 0.00 0.00 177.39 175.11 2djr s ALA 17 N -1.51 3.63 0.27 -1.18 0.00 -1.20 -4.82 121.76 116.96 2djr s ALA 17 Ca 0.81 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 2djr s ALA 17 Cb -0.37 -2.43 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 2djr s ALA 17 CO 0.42 0.49 1.25 -1.25 0.00 0.00 0.00 175.76 176.68 2djr s PRO 18 N -1.91 4.44 0.30 0.00 0.04 -1.26 -4.37 135.00 132.23 2djr s PRO 18 Ca 0.36 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2djr s PRO 18 Cb -0.15 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 2djr s PRO 18 CO 0.19 -0.11 1.31 0.00 0.04 0.00 0.00 177.00 178.43 2djr n ALA 19 N 1.54 1.10 -3.36 8.56 0.00 -1.26 -4.85 120.51 122.23 2djr n ALA 19 Ca 0.02 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 2djr n ALA 19 Cb 0.43 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 2djr n ALA 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2djr n ARG 20 N 1.16 3.15 -4.49 0.00 1.74 -1.26 -4.83 116.66 112.14 2djr n ARG 20 Ca 0.08 -4.59 -0.41 0.00 -0.77 0.00 0.00 57.85 52.17 2djr n ARG 20 Cb 0.34 -2.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.32 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr n ALA 21 N 1.39 -1.34 -2.00 7.54 0.00 -1.26 -4.59 120.51 120.24 2djr n ALA 21 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2djr n ALA 21 Cb 0.37 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2djr n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djr n GLY 22 N -1.32 0.57 3.42 0.00 0.00 -1.26 -5.16 105.19 101.44 2djr n GLY 22 Ca 0.04 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 2djr n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2djr n HIS 23 N 0.00 -1.41 -1.90 1.61 1.44 -1.26 -4.97 115.22 108.73 2djr n HIS 23 Ca 0.00 -0.12 -0.32 0.00 -2.01 0.00 0.00 57.72 55.26 2djr n HIS 23 Cb 0.00 -1.66 0.02 0.00 0.12 0.00 0.00 29.99 28.48 2djr n HIS 23 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2djr s HIS 24 N -2.36 3.05 -1.37 -1.40 0.00 -1.26 -4.25 115.29 107.71 2djr s HIS 24 Ca 0.66 1.48 0.15 0.00 -3.00 0.00 0.00 55.06 54.35 2djr s HIS 24 Cb -0.23 -2.96 0.73 0.00 -4.00 0.00 0.00 32.58 26.12 2djr s HIS 24 CO 0.66 -1.13 1.41 -0.35 -1.00 0.00 0.00 174.74 174.34 2djr n PRO 25 N -2.38 0.18 -2.06 -0.38 -0.04 -1.26 -3.23 135.00 125.83 2djr n PRO 25 Ca 0.08 0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 2djr n PRO 25 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2djr n PRO 25 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djr n ASN 26 N -1.32 6.57 -0.07 3.54 3.02 -1.26 -3.41 115.26 122.33 2djr n ASN 26 Ca 0.06 -3.80 -0.05 0.00 -0.03 0.00 0.00 54.58 50.76 2djr n ASN 26 Cb 0.12 -0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 38.43 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2djr n GLN 27 N -0.55 0.44 -4.48 3.52 -0.06 -1.20 -4.67 117.38 110.37 2djr n GLN 27 Ca 0.50 0.42 -0.23 0.00 -2.00 0.00 0.00 57.00 55.68 2djr n GLN 27 Cb 0.42 -1.55 -0.10 0.00 -4.06 0.00 0.00 30.24 24.95 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2djr s TYR 28 N -2.34 2.17 -0.16 3.69 1.51 -1.26 -4.65 117.35 116.31 2djr s TYR 28 Ca -0.18 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 2djr s TYR 28 Cb 0.02 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 2djr s TYR 28 CO 0.26 0.41 -0.18 0.00 -1.11 0.00 0.00 175.55 174.93 2djr s ALA 29 N -2.84 2.40 -0.42 3.71 0.00 -1.03 -3.27 121.76 120.31 2djr s ALA 29 Ca 0.31 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 2djr s ALA 29 Cb 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2djr s ALA 29 CO 0.14 -0.14 0.83 0.99 0.00 0.00 0.00 175.76 177.57 2djr s THR 30 N 0.99 4.63 -0.05 0.00 2.01 0.72 -0.10 115.64 123.83 2djr s THR 30 Ca -0.02 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 2djr s THR 30 Cb -0.15 -4.32 -0.07 0.00 0.01 0.00 0.00 72.50 67.97 2djr s THR 30 CO -0.04 -0.66 1.92 0.00 -0.69 0.00 0.00 174.62 175.15 2djr n ARG 32 N 7.69 0.51 -0.08 0.00 1.74 0.18 0.02 116.66 126.71 2djr n ARG 32 Ca 0.21 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 2djr n ARG 32 Cb 0.42 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 2djr n ARG 32 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2djr h LEU 33 N 0.00 0.00 0.00 0.55 3.38 -1.88 -3.44 115.31 113.92 2djr h LEU 33 Ca 0.00 -0.29 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 2djr h LEU 33 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2djr h LEU 33 CO 0.00 1.08 -1.93 0.00 0.09 0.00 0.00 178.44 177.69 2djr n GLY 35 N 2.71 1.93 3.73 0.00 0.00 0.10 -5.03 105.19 108.63 2djr n GLY 35 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2djr n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djr s ARG 36 N -0.51 2.95 -0.02 1.61 0.52 -1.25 -4.72 118.95 117.53 2djr s ARG 36 Ca 0.00 -0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.43 2djr s ARG 36 Cb 0.00 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 2djr s ARG 36 CO 0.00 0.65 0.85 -0.65 0.02 0.00 0.00 175.30 176.17 2djr s GLN 37 N -1.50 4.51 -0.17 3.54 -0.21 -1.26 -0.70 119.66 123.88 2djr s GLN 37 Ca 0.20 1.18 -0.03 0.00 0.02 0.00 0.00 55.36 56.73 2djr s GLN 37 Cb -0.12 -3.44 0.05 0.00 1.00 0.00 0.00 33.01 30.50 2djr s GLN 37 CO 0.10 0.03 0.04 0.08 -2.12 0.00 0.00 175.29 173.43 2djr s VAL 38 N 0.80 0.35 0.03 1.09 1.01 0.85 -4.88 120.40 119.65 2djr s VAL 38 Ca 0.45 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 2djr s VAL 38 Cb -0.20 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2djr s VAL 38 CO 0.24 -0.15 0.70 -0.94 0.00 0.00 0.00 175.10 174.95 2djr s SER 39 N 1.95 7.13 -0.02 3.32 1.04 -1.26 -2.46 113.70 123.40 2djr s SER 39 Ca 0.01 1.35 0.02 0.00 0.48 0.00 0.00 55.95 57.80 2djr s SER 39 Cb -0.16 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 2djr s SER 39 CO -0.08 0.06 0.00 -2.11 0.98 0.00 0.00 173.24 172.09 2djr n ARG 40 N 2.72 3.08 0.00 4.02 0.00 -1.26 -4.93 116.66 120.30 2djr n ARG 40 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2djr n ARG 40 Cb 0.50 -1.05 0.00 0.00 -0.00 0.00 0.00 32.46 31.91 2djr n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2djr n GLY 41 N 2.95 4.17 0.20 2.89 0.00 -1.26 -4.90 105.19 109.24 2djr n GLY 41 Ca -0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2djr n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr h PRO 42 N 0.00 0.36 -3.18 1.61 0.13 -1.92 -3.38 132.00 125.62 2djr h PRO 42 Ca 0.00 -0.19 -0.63 0.00 -0.87 0.00 0.00 66.00 64.32 2djr h PRO 42 Cb 0.00 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 30.73 2djr h PRO 42 CO 0.00 0.74 -0.66 0.20 -0.23 0.00 0.00 178.00 178.05 2djr s GLY 43 N -4.18 2.27 -0.19 1.56 0.00 -1.26 -5.07 107.32 100.46 2djr s GLY 43 Ca -0.05 -3.16 0.01 0.00 0.00 0.00 0.00 44.72 41.52 2djr s GLY 43 CO 0.80 1.21 -0.17 0.54 0.00 0.00 0.00 173.10 175.48 2djr s VAL 44 N -0.31 2.00 0.05 1.40 0.11 -1.26 -4.98 120.40 117.40 2djr s VAL 44 Ca 0.19 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2djr s VAL 44 Cb -0.20 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 2djr s VAL 44 CO -0.04 0.40 0.00 0.59 -3.33 0.00 0.00 175.10 172.72 2djr n ASN 45 N 4.60 0.29 -4.96 3.54 3.02 -1.26 -5.10 115.26 115.39 2djr n ASN 45 Ca -0.19 0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.23 2djr n ASN 45 Cb 0.48 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.60 2djr n ASN 45 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2djr s VAL 46 N -1.33 2.39 0.00 2.41 -7.23 -1.26 -4.52 120.40 110.86 2djr s VAL 46 Ca 0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2djr s VAL 46 Cb 0.00 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2djr s VAL 46 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2djr n GLY 47 N -1.87 0.01 3.56 2.32 0.00 -1.26 -4.69 105.19 103.26 2djr n GLY 47 Ca 0.07 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 2djr n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2djr n THR 48 N 0.09 2.33 -1.67 2.61 -1.04 -1.26 -4.88 114.28 110.46 2djr n THR 48 Ca 0.00 -2.41 -0.64 0.00 -2.04 0.00 0.00 64.05 58.96 2djr n THR 48 Cb 0.00 -2.21 -0.09 0.00 -1.82 0.00 0.00 70.33 66.20 2djr n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2djr n THR 49 N 7.45 0.01 -0.26 12.58 -1.04 -1.26 -4.71 114.28 127.05 2djr n THR 49 Ca 0.46 -0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.72 2djr n THR 49 Cb 0.46 -0.38 0.46 0.00 -1.82 0.00 0.00 70.33 69.05 2djr n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2djr n ALA 50 N 3.24 0.81 -0.19 2.41 0.00 -1.26 0.14 120.51 125.67 2djr n ALA 50 Ca 0.27 0.78 -0.00 0.00 0.00 0.00 0.00 53.44 54.49 2djr n ALA 50 Cb -0.00 -0.79 0.09 0.00 0.00 0.00 0.00 19.45 18.74 2djr n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2djr h LEU 51 N 0.00 -0.21 -0.36 0.00 3.38 -1.90 -1.36 115.31 114.86 2djr h LEU 51 Ca 0.66 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.83 2djr h LEU 51 Cb 1.77 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.68 2djr h LEU 51 CO -0.58 -0.08 -0.09 -0.50 0.09 0.00 0.00 178.44 177.28 2djr h TRP 52 N 0.14 -0.19 -0.98 1.13 4.06 1.00 -0.21 115.95 120.89 2djr h TRP 52 Ca 0.29 0.03 0.22 0.00 2.06 0.00 0.00 58.89 61.49 2djr h TRP 52 Cb 0.46 0.14 -0.12 0.00 -1.00 0.00 0.00 29.16 28.64 2djr h TRP 52 CO -0.33 -0.15 0.57 0.87 -3.56 0.00 0.00 178.44 175.84 2djr h LYS 53 N -0.00 0.61 -0.17 0.49 1.57 -1.27 0.25 116.57 118.05 2djr h LYS 53 Ca 0.17 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2djr h LYS 53 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2djr h LYS 53 CO -0.37 0.41 -0.44 1.25 -0.57 0.00 0.00 179.45 179.73 2djr h HIS 54 N 0.63 0.78 -0.06 -1.35 2.76 -0.88 -1.25 115.15 115.78 2djr h HIS 54 Ca 0.60 -0.30 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2djr h HIS 54 Cb 1.06 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 2djr h HIS 54 CO -0.02 1.06 0.04 -0.07 -1.30 0.00 0.00 177.93 177.64 2djr h LEU 55 N 0.27 0.07 0.00 0.26 3.38 0.64 -1.06 115.31 118.87 2djr h LEU 55 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2djr h LEU 55 Cb 1.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2djr h LEU 55 CO 0.10 0.11 0.00 0.29 0.09 0.00 0.00 178.44 179.02 2djr n LYS 56 N -5.02 0.04 0.05 1.13 5.02 0.69 0.25 118.16 120.31 2djr n LYS 56 Ca -0.06 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 2djr n LYS 56 Cb 0.05 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 2djr n LYS 56 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2djr h SER 57 N 0.00 0.52 0.00 4.39 0.87 -0.34 -3.36 113.55 115.63 2djr h SER 57 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 2djr h SER 57 Cb 0.36 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2djr h SER 57 CO 0.00 1.67 -0.83 1.15 -0.53 0.00 0.00 176.83 178.29 2djr n MET 58 N -3.80 2.30 -0.86 2.24 0.00 -0.48 -4.70 117.12 111.80 2djr n MET 58 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.37 2djr n MET 58 Cb 0.98 -0.92 0.21 0.00 0.00 0.00 0.00 33.22 33.49 2djr n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2djr n HIS 59 N -1.93 2.12 -0.20 3.17 8.25 0.68 -4.50 115.22 122.81 2djr n HIS 59 Ca 0.00 -1.19 0.14 0.00 -0.26 0.00 0.00 57.72 56.41 2djr n HIS 59 Cb 0.42 -0.66 0.45 0.00 1.12 0.00 0.00 29.99 31.32 2djr n HIS 59 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2djr h ARG 60 N 1.65 0.52 -0.16 -0.41 2.43 -0.60 -0.66 114.38 117.14 2djr h ARG 60 Ca 0.31 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2djr h ARG 60 Cb 2.17 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.61 2djr h ARG 60 CO 0.69 0.34 -0.59 0.93 -1.51 0.00 0.00 179.97 179.83 2djr h GLU 61 N 0.53 0.69 -0.59 0.20 5.08 -1.85 -2.57 114.58 116.07 2djr h GLU 61 Ca 0.39 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2djr h GLU 61 Cb 0.77 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2djr h GLU 61 CO -0.15 1.14 0.33 1.49 -1.00 0.00 0.00 179.01 180.83 2djr h GLU 62 N 0.37 0.81 0.77 2.33 4.57 -1.54 -0.42 114.58 121.47 2djr h GLU 62 Ca -0.03 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2djr h GLU 62 Cb 1.22 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2djr h GLU 62 CO 0.12 0.61 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.12 2djr h LEU 63 N 0.79 -0.88 -0.67 1.64 3.38 -1.21 -2.74 115.31 115.63 2djr h LEU 63 Ca 0.21 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2djr h LEU 63 Cb 0.02 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 2djr h LEU 63 CO -0.04 -0.54 0.21 -0.33 0.09 0.00 0.00 178.44 177.83 2djr h GLU 64 N -1.19 0.35 -0.50 1.13 5.08 -1.43 0.35 114.58 118.37 2djr h GLU 64 Ca -0.11 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2djr h GLU 64 Cb 0.81 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 2djr h GLU 64 CO 0.17 0.23 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.04 2djr h LYS 65 N 0.36 -0.03 0.44 2.33 3.64 -1.02 -2.83 116.57 119.46 2djr h LYS 65 Ca 0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2djr h LYS 65 Cb 0.52 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2djr h LYS 65 CO -0.39 -0.02 -0.21 0.77 -2.27 0.00 0.00 179.45 177.33 2djr h SER 66 N -0.04 -0.50 0.00 4.20 0.02 -0.98 -3.48 113.55 112.77 2djr h SER 66 Ca 0.24 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2djr h SER 66 Cb 0.40 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2djr h SER 66 CO -0.53 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 175.68 2djr n GLY 67 N -0.14 0.00 2.81 -3.77 0.00 0.02 -5.12 105.19 98.98 2djr n GLY 67 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2djr n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 68 N 0.00 2.46 0.12 1.61 3.76 -0.80 -4.92 115.29 117.52 2djr s HIS 68 Ca 0.00 -2.58 0.00 0.00 -0.15 0.00 0.00 55.06 52.33 2djr s HIS 68 Cb 0.00 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.46 2djr s HIS 68 CO 0.00 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 173.49 2djr n GLY 69 N 3.72 -0.10 1.50 -2.22 0.00 -1.26 -3.96 105.19 102.87 2djr n GLY 69 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2djr n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djr n GLN 70 N -3.32 1.35 -2.31 1.61 10.64 -1.26 -4.91 117.38 119.19 2djr n GLN 70 Ca 0.00 -0.76 -0.42 0.00 -1.83 0.00 0.00 57.00 53.99 2djr n GLN 70 Cb 0.09 -1.30 -0.03 0.00 -0.86 0.00 0.00 30.24 28.15 2djr n GLN 70 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2djr s SER 71 N 0.77 6.93 0.00 2.61 1.04 -1.26 -4.81 113.70 118.97 2djr s SER 71 Ca 0.15 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2djr s SER 71 Cb 0.12 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2djr s SER 71 CO 0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2djr n GLY 72 N 3.52 2.59 0.17 7.32 0.00 -1.26 -4.84 105.19 112.68 2djr n GLY 72 Ca 0.12 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 2djr n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr h PRO 73 N 0.00 0.50 -3.36 1.61 0.13 -1.96 -3.40 132.00 125.52 2djr h PRO 73 Ca 0.00 -0.26 -0.61 0.00 -0.87 0.00 0.00 66.00 64.26 2djr h PRO 73 Cb 0.00 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 30.74 2djr h PRO 73 CO 0.00 0.84 -0.74 -1.12 -0.23 0.00 0.00 178.00 176.75 2djr s SER 74 N -6.30 3.91 -0.67 1.44 0.01 -1.26 -4.98 113.70 105.85 2djr s SER 74 Ca -0.13 -2.23 -0.01 0.00 1.31 0.00 0.00 55.95 54.89 2djr s SER 74 Cb 0.07 -1.04 0.43 0.00 0.21 0.00 0.00 66.02 65.68 2djr s SER 74 CO 0.78 -0.33 1.93 -1.54 0.41 0.00 0.00 173.24 174.49 2djr n SER 75 N 4.08 7.31 0.00 2.44 3.41 -1.26 -5.01 113.62 124.60 2djr n SER 75 Ca 0.04 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2djr n SER 75 Cb 0.38 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49