#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jon s THR 2 N 0.00 4.78 0.88 0.00 2.01 -1.26 -5.09 115.64 116.97 2jon s THR 2 Ca 0.00 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 2jon s THR 2 Cb 0.00 -3.24 0.12 0.00 0.01 0.00 0.00 72.50 69.39 2jon s THR 2 CO 0.00 0.32 1.09 -2.16 -0.69 0.00 0.00 174.62 173.18 2jon s PRO 3 N 1.49 1.36 -0.29 4.92 0.04 -1.26 -5.04 135.00 136.23 2jon s PRO 3 Ca 0.06 0.86 -0.04 0.00 0.04 0.00 0.00 61.00 61.92 2jon s PRO 3 Cb -0.15 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2jon s PRO 3 CO 0.06 -2.18 0.03 0.95 0.04 0.00 0.00 177.00 175.90 2jon s THR 4 N -2.93 3.46 0.15 1.26 -4.23 -1.26 -5.11 115.64 106.99 2jon s THR 4 Ca 0.63 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 60.16 2jon s THR 4 Cb -0.18 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 70.87 2jon s THR 4 CO 0.57 0.05 0.13 -0.81 -0.54 0.00 0.00 174.62 174.02 2jon n PRO 5 N 4.76 -1.27 -3.79 3.99 -0.04 -1.26 -5.05 135.00 132.34 2jon n PRO 5 Ca -0.15 -0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 62.81 2jon n PRO 5 Cb 0.47 -0.20 -0.15 0.00 -0.04 0.00 0.00 33.50 33.57 2jon n PRO 5 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jon s THR 6 N -1.24 1.03 0.00 0.52 -4.23 -1.26 -5.13 115.64 105.33 2jon s THR 6 Ca 0.09 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2jon s THR 6 Cb -0.01 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2jon s THR 6 CO 0.07 -0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 172.82 2jon n PRO 7 N 4.80 -0.53 -3.96 3.99 -0.04 -1.26 -5.03 135.00 132.98 2jon n PRO 7 Ca -0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.07 2jon n PRO 7 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 2jon n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jon s LYS 8 N -2.27 3.97 0.18 0.54 -2.85 -1.26 -5.07 119.74 112.98 2jon s LYS 8 Ca 0.00 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.31 2jon s LYS 8 Cb 0.00 -3.25 -0.10 0.00 -2.06 0.00 0.00 37.83 32.42 2jon s LYS 8 CO 0.00 0.23 1.54 0.00 0.10 0.00 0.00 175.35 177.22 2jon s ALA 9 N 0.50 3.75 0.18 0.59 0.00 -1.26 -4.97 121.76 120.56 2jon s ALA 9 Ca 0.04 1.36 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 2jon s ALA 9 Cb -0.13 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.46 2jon s ALA 9 CO 0.01 -0.78 1.03 0.00 0.00 0.00 0.00 175.76 176.02 2jon s ALA 10 N 0.93 -1.60 0.00 0.00 0.00 -1.26 -4.97 121.76 114.87 2jon s ALA 10 Ca 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2jon s ALA 10 Cb -0.43 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2jon s ALA 10 CO 0.33 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2jon n GLY 11 N -0.68 -1.42 3.19 0.00 0.00 -1.26 -3.71 105.19 101.31 2jon n GLY 11 Ca -0.03 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2jon n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jon s SER 12 N -3.19 -0.33 -0.06 1.61 0.01 -1.26 -4.46 113.70 106.03 2jon s SER 12 Ca 0.00 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 2jon s SER 12 Cb 0.00 0.61 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2jon s SER 12 CO 0.00 -0.12 -0.00 0.26 0.41 0.00 0.00 173.24 173.79 2jon s TRP 13 N 0.33 0.58 -0.52 2.43 0.51 -1.24 -4.63 118.94 116.40 2jon s TRP 13 Ca -0.01 -0.11 -0.16 0.00 -2.12 0.00 0.00 56.10 53.69 2jon s TRP 13 Cb -0.03 -0.69 0.10 0.00 -0.81 0.00 0.00 33.47 32.04 2jon s TRP 13 CO -0.01 -0.26 0.49 0.00 -0.51 0.00 0.00 176.95 176.65 2jon s VAL 15 N 1.76 0.04 0.09 0.00 -7.23 0.43 -4.73 120.40 110.77 2jon s VAL 15 Ca 0.05 -0.32 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 2jon s VAL 15 Cb -0.27 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 2jon s VAL 15 CO 0.05 -0.18 1.37 -2.16 -0.31 0.00 0.00 175.10 173.87 2jon s PRO 16 N -2.04 4.33 -0.21 4.82 0.04 -1.26 -3.01 135.00 137.68 2jon s PRO 16 Ca -0.08 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.01 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 31.09 2jon s PRO 16 CO 0.01 -0.44 1.90 1.17 0.04 0.00 0.00 177.00 179.68 2jon n LYS 17 N 4.14 1.62 -2.06 4.56 3.00 -1.22 -4.81 118.16 123.40 2jon n LYS 17 Ca 0.11 0.57 -0.28 0.00 -0.00 0.00 0.00 58.31 58.71 2jon n LYS 17 Cb 0.43 -2.43 -0.06 0.00 0.00 0.00 0.00 35.03 32.96 2jon n LYS 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jon n PRO 18 N 6.53 1.61 0.00 1.64 -0.04 -1.26 -2.74 135.00 140.73 2jon n PRO 18 Ca 0.27 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2jon n PRO 18 Cb 0.23 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 29.96 2jon n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jon n GLY 19 N 5.76 0.10 3.49 0.55 0.00 -1.26 -5.16 105.19 108.68 2jon n GLY 19 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 2jon n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jon n VAL 20 N 0.00 0.00 -1.48 1.61 0.31 -1.11 -4.76 118.33 112.91 2jon n VAL 20 Ca 0.00 -0.33 -0.47 0.00 -0.01 0.00 0.00 64.34 63.53 2jon n VAL 20 Cb 0.00 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jon n SER 21 N -4.41 2.06 -0.18 4.52 7.64 -1.26 -4.82 113.62 117.16 2jon n SER 21 Ca 0.05 0.22 -0.05 0.00 1.01 0.00 0.00 58.87 60.10 2jon n SER 21 Cb 0.54 -1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2jon n SER 21 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jon n ASP 22 N 11.08 -0.47 -0.34 6.43 8.00 -1.26 0.24 116.55 140.23 2jon n ASP 22 Ca 0.42 1.01 0.21 0.00 0.71 0.00 0.00 54.79 57.14 2jon n ASP 22 Cb 0.28 -0.22 0.43 0.00 -0.02 0.00 0.00 41.12 41.59 2jon n ASP 22 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2jon h ASP 23 N 0.00 0.60 0.00 -2.24 1.82 -1.98 0.38 116.42 115.00 2jon h ASP 23 Ca 0.07 0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.88 2jon h ASP 23 Cb 0.18 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2jon h ASP 23 CO -0.41 0.01 -0.07 -0.61 -1.61 0.00 0.00 179.24 176.55 2jon h GLN 24 N 0.47 -0.11 0.00 0.28 5.75 0.27 -2.46 115.11 119.30 2jon h GLN 24 Ca 0.68 0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 59.07 2jon h GLN 24 Cb 1.44 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.99 2jon h GLN 24 CO -0.52 -0.08 -0.55 -0.07 -2.65 0.00 0.00 178.83 174.96 2jon h LEU 25 N -0.12 0.00 -1.94 -2.39 -0.00 -0.16 -3.00 115.31 107.71 2jon h LEU 25 Ca 0.03 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.05 2jon h LEU 25 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2jon h LEU 25 CO -0.07 0.55 0.51 0.74 -0.00 0.00 0.00 178.44 180.18 2jon h THR 26 N 0.00 0.40 0.00 0.22 2.02 0.13 0.33 112.91 116.01 2jon h THR 26 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2jon h THR 26 Cb 1.00 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2jon h THR 26 CO 0.07 0.00 -0.15 1.23 0.37 0.00 0.00 175.52 177.04 2jon h GLY 27 N 0.00 0.00 0.79 2.16 0.00 -1.47 -2.82 103.07 101.73 2jon h GLY 27 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2jon h GLY 27 CO -0.00 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 179.91 2jon h ASN 28 N 0.00 -0.13 0.22 0.19 2.35 -0.53 -1.83 115.58 115.85 2jon h ASN 28 Ca -0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2jon h ASN 28 Cb 0.43 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2jon h ASN 28 CO 0.02 0.11 -0.11 0.40 -1.65 0.00 0.00 177.43 176.20 2jon h ILE 29 N -0.36 0.83 -0.82 2.81 2.04 -1.65 0.28 117.51 120.64 2jon h ILE 29 Ca -0.02 -0.25 0.17 0.00 1.00 0.00 0.00 64.86 65.76 2jon h ILE 29 Cb 0.30 0.98 -0.11 0.00 -0.74 0.00 0.00 36.82 37.26 2jon h ILE 29 CO 0.03 0.06 0.34 0.78 0.00 0.00 0.00 178.15 179.36 2jon h ASN 30 N -0.42 0.31 0.28 1.72 4.21 -1.53 0.52 115.58 120.67 2jon h ASN 30 Ca -0.03 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2jon h ASN 30 Cb 0.32 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2jon h ASN 30 CO 0.05 0.08 -0.14 0.22 -1.29 0.00 0.00 177.43 176.35 2jon h TYR 31 N 0.45 -0.35 -0.88 1.19 3.20 -1.15 -3.25 116.97 116.18 2jon h TYR 31 Ca 0.47 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.57 2jon h TYR 31 Cb 0.78 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 2jon h TYR 31 CO -0.15 -0.10 0.61 0.00 -1.64 0.00 0.00 178.16 176.89 2jon h ALA 32 N -0.85 2.62 0.00 1.82 0.00 -0.11 0.33 119.26 123.07 2jon h ALA 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jon h ALA 32 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jon h ALA 32 CO 0.06 -0.88 0.09 0.00 0.00 0.00 0.00 179.25 178.52 2jon n SER 34 N -1.61 2.75 -0.10 0.00 7.64 0.12 -4.61 113.62 117.80 2jon n SER 34 Ca -0.00 -2.85 -0.20 0.00 1.01 0.00 0.00 58.87 56.82 2jon n SER 34 Cb 0.09 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.81 2jon n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jon n GLN 35 N -0.94 0.55 0.00 1.43 1.13 0.16 -5.09 117.38 114.62 2jon n GLN 35 Ca 0.15 0.50 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 2jon n GLN 35 Cb 0.64 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2jon n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jon n GLY 36 N 1.43 -1.28 0.08 1.08 0.00 -1.25 -4.90 105.19 100.35 2jon n GLY 36 Ca -0.31 0.46 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2jon n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jon n ILE 37 N 0.00 0.03 0.21 -0.61 -0.00 -1.26 -4.05 119.36 113.67 2jon n ILE 37 Ca 0.00 -0.05 -0.08 0.00 -0.00 0.00 0.00 62.75 62.61 2jon n ILE 37 Cb 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.64 39.42 2jon n ILE 37 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2jon h ASP 38 N 0.32 -0.47 -3.52 7.28 3.32 -1.91 -3.40 116.42 118.04 2jon h ASP 38 Ca 0.00 0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.55 2jon h ASP 38 Cb 0.07 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jon h ASP 38 CO 0.00 -0.23 0.47 0.00 -1.72 0.00 0.00 179.24 177.75 2jon n GLY 40 N 2.21 2.30 0.00 0.00 0.00 -1.26 -4.82 105.19 103.62 2jon n GLY 40 Ca 0.03 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2jon n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jon n PRO 41 N 0.00 0.49 -0.10 1.61 -0.04 -1.26 -3.27 135.00 132.44 2jon n PRO 41 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2jon n PRO 41 Cb 0.00 -1.18 0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2jon n PRO 41 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2jon n ILE 42 N -0.68 0.30 -2.69 0.52 -5.35 -1.26 -4.74 119.36 105.46 2jon n ILE 42 Ca 0.04 -0.16 -0.43 0.00 -0.27 0.00 0.00 62.75 61.93 2jon n ILE 42 Cb 0.02 -0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 37.53 2jon n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jon s GLN 43 N -1.35 4.37 0.85 6.28 -1.52 -1.20 -4.67 119.66 122.42 2jon s GLN 43 Ca 0.07 1.37 -0.11 0.00 -1.95 0.00 0.00 55.36 54.73 2jon s GLN 43 Cb 0.05 -3.57 0.10 0.00 -0.22 0.00 0.00 33.01 29.37 2jon s GLN 43 CO 0.02 -0.41 1.09 -1.25 -0.25 0.00 0.00 175.29 174.50 2jon s PRO 44 N 2.37 1.61 -0.03 2.91 0.04 -1.26 -5.01 135.00 135.62 2jon s PRO 44 Ca 0.47 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2jon s PRO 44 Cb -0.17 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2jon s PRO 44 CO 0.14 -2.03 -0.00 0.41 0.04 0.00 0.00 177.00 175.56 2jon n GLY 45 N -1.16 -0.11 0.00 0.56 0.00 -1.26 -5.05 105.19 98.17 2jon n GLY 45 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jon n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jon n GLY 46 N 2.98 1.17 0.09 -0.02 0.00 -1.26 -5.01 105.19 103.14 2jon n GLY 46 Ca -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2jon n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 47 N 0.00 -0.40 0.00 4.61 0.00 -1.96 -3.33 119.26 118.18 2jon h ALA 47 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jon h ALA 47 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jon h ALA 47 CO 0.00 -0.44 -0.72 0.00 0.00 0.00 0.00 179.25 178.08 2jon n PHE 49 N -1.40 0.59 -3.69 0.00 7.35 -1.25 -3.84 117.46 115.21 2jon n PHE 49 Ca 0.00 0.87 -0.36 0.00 -0.76 0.00 0.00 57.45 57.20 2jon n PHE 49 Cb 0.15 -1.12 -0.09 0.00 0.35 0.00 0.00 39.48 38.76 2jon n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jon s GLU 50 N -5.46 4.07 0.59 -4.13 2.02 -1.26 -0.03 118.70 114.50 2jon s GLU 50 Ca -0.08 -0.27 -0.18 0.00 0.02 0.00 0.00 54.97 54.45 2jon s GLU 50 Cb 0.22 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 2jon s GLU 50 CO 0.56 0.09 1.12 -1.25 0.02 0.00 0.00 175.26 175.81 2jon s PRO 51 N 0.95 3.15 -0.24 0.39 0.04 -1.25 -5.03 135.00 133.01 2jon s PRO 51 Ca 0.07 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 2jon s PRO 51 Cb -0.13 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2jon s PRO 51 CO 0.03 -1.00 0.05 1.21 0.04 0.00 0.00 177.00 177.33 2jon s ASN 52 N -2.08 4.95 0.71 6.66 2.47 0.96 -5.04 114.94 123.58 2jon s ASN 52 Ca 0.71 -0.25 -0.08 0.00 0.42 0.00 0.00 52.86 53.66 2jon s ASN 52 Cb -0.23 -1.88 0.05 0.00 -1.45 0.00 0.00 41.25 37.74 2jon s ASN 52 CO 0.32 -0.03 1.04 -0.89 -3.72 0.00 0.00 177.10 173.82 2jon s THR 53 N 1.58 2.56 0.02 -5.21 2.01 -1.26 -4.99 115.64 110.35 2jon s THR 53 Ca 0.06 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.71 2jon s THR 53 Cb -0.15 -3.12 -0.16 0.00 0.01 0.00 0.00 72.50 69.08 2jon s THR 53 CO 0.02 -0.14 1.23 0.58 -0.69 0.00 0.00 174.62 175.62 2jon h VAL 54 N -0.64 0.40 -0.04 3.82 2.07 -1.99 -2.89 116.25 116.97 2jon h VAL 54 Ca -0.45 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jon h VAL 54 Cb 1.30 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2jon h VAL 54 CO 0.62 0.06 0.00 2.29 0.02 0.00 0.00 177.57 180.56 2jon n LYS 55 N -5.27 1.21 -0.30 1.57 0.00 -1.26 -4.17 118.16 109.94 2jon n LYS 55 Ca -0.11 -0.19 0.07 0.00 -0.00 0.00 0.00 58.31 58.08 2jon n LYS 55 Cb 0.31 -1.42 0.22 0.00 -0.00 0.00 0.00 35.03 34.15 2jon n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jon h ALA 56 N 2.37 1.30 -0.09 0.58 0.00 -1.89 -1.96 119.26 119.56 2jon h ALA 56 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jon h ALA 56 Cb 0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2jon h ALA 56 CO 0.02 -0.05 -0.30 0.45 0.00 0.00 0.00 179.25 179.37 2jon h HIS 57 N 0.67 -0.83 -0.85 0.00 3.86 -1.82 -0.99 115.15 115.18 2jon h HIS 57 Ca 0.46 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.79 2jon h HIS 57 Cb 0.62 0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 2jon h HIS 57 CO -0.08 -0.39 0.56 0.00 0.86 0.00 0.00 177.93 178.88 2jon h ALA 58 N 0.41 1.63 -0.05 2.45 0.00 -1.71 -0.33 119.26 121.67 2jon h ALA 58 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jon h ALA 58 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jon h ALA 58 CO -0.31 0.22 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 2jon h ALA 59 N 1.56 1.70 0.19 0.00 0.00 -0.66 -1.02 119.26 121.03 2jon h ALA 59 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2jon h ALA 59 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jon h ALA 59 CO -0.15 0.23 -0.09 -0.92 0.00 0.00 0.00 179.25 178.31 2jon h TYR 60 N 0.07 -0.24 -0.45 0.00 5.03 -0.02 -3.22 116.97 118.14 2jon h TYR 60 Ca 0.01 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.45 2jon h TYR 60 Cb 0.27 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 2jon h TYR 60 CO 0.00 -0.15 0.34 -0.24 -1.32 0.00 0.00 178.16 176.79 2jon h VAL 61 N -0.38 0.72 -0.33 1.81 3.04 -1.53 -1.30 116.25 118.28 2jon h VAL 61 Ca -0.03 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.76 2jon h VAL 61 Cb 0.20 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 2jon h VAL 61 CO 0.04 0.00 0.80 0.24 -1.01 0.00 0.00 177.57 177.64 2jon h MET 62 N 0.00 0.00 0.27 4.17 2.86 -1.19 0.31 114.93 121.35 2jon h MET 62 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2jon h MET 62 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2jon h MET 62 CO -0.00 0.00 -0.13 -0.97 1.06 0.00 0.00 176.91 176.87 2jon h ASN 63 N 0.00 -0.31 0.06 1.22 -1.24 -1.38 -2.83 115.58 111.11 2jon h ASN 63 Ca 0.16 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 2jon h ASN 63 Cb 1.74 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.87 2jon h ASN 63 CO -0.00 0.18 -0.03 0.17 -1.29 0.00 0.00 177.43 176.46 2jon h LEU 64 N -0.96 -0.07 -0.77 0.34 -0.00 -0.98 -3.24 115.31 109.62 2jon h LEU 64 Ca -0.04 -0.55 0.17 0.00 -0.00 0.00 0.00 57.88 57.46 2jon h LEU 64 Cb 0.48 0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 41.02 2jon h LEU 64 CO 0.06 0.63 -0.04 0.22 -0.00 0.00 0.00 178.44 179.31 2jon h TYR 65 N -0.89 -0.14 -0.10 0.17 5.03 -0.71 1.14 116.97 121.47 2jon h TYR 65 Ca -0.01 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.39 2jon h TYR 65 Cb 0.62 0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.08 2jon h TYR 65 CO 0.14 -0.27 0.10 -0.92 -1.32 0.00 0.00 178.16 175.89 2jon h TYR 66 N 0.07 0.00 -0.02 -3.82 5.03 -1.60 0.12 116.97 116.74 2jon h TYR 66 Ca 0.41 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.72 2jon h TYR 66 Cb 0.71 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.99 2jon h TYR 66 CO -0.47 0.00 -0.28 1.04 -1.32 0.00 0.00 178.16 177.13 2jon n GLN 67 N -4.04 1.68 0.05 1.82 6.02 0.34 -1.41 117.38 121.85 2jon n GLN 67 Ca -0.00 -1.39 -0.21 0.00 -0.01 0.00 0.00 57.00 55.39 2jon n GLN 67 Cb 0.20 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.88 2jon n GLN 67 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 2jon h HIS 68 N 3.39 1.04 0.09 1.08 2.07 0.27 -3.36 115.15 119.73 2jon h HIS 68 Ca 0.00 -0.58 -0.00 0.00 -2.85 0.00 0.00 60.37 56.93 2jon h HIS 68 Cb 0.86 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.73 2jon h HIS 68 CO 0.00 1.42 -0.04 0.00 -3.07 0.00 0.00 177.93 176.24 2jon h ALA 69 N 0.37 -0.12 0.00 6.11 0.00 -1.73 -3.46 119.26 120.43 2jon h ALA 69 Ca -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2jon h ALA 69 Cb 1.74 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2jon h ALA 69 CO 0.21 -0.15 -0.01 0.41 0.00 0.00 0.00 179.25 179.71 2jon n GLY 70 N 1.19 -0.16 2.78 0.00 0.00 -1.26 -4.97 105.19 102.77 2jon n GLY 70 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2jon n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jon n ARG 71 N 0.00 -2.72 -3.35 1.61 1.74 -0.50 -4.93 116.66 108.51 2jon n ARG 71 Ca -0.01 0.47 -0.19 0.00 -0.77 0.00 0.00 57.85 57.35 2jon n ARG 71 Cb 0.16 -5.09 -0.01 0.00 -1.02 0.00 0.00 32.46 26.50 2jon n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2jon s ASN 72 N -2.27 5.48 0.50 0.55 0.01 -1.24 -4.95 114.94 113.02 2jon s ASN 72 Ca 0.14 -0.49 0.29 0.00 -0.71 0.00 0.00 52.86 52.09 2jon s ASN 72 Cb -0.08 -0.77 1.13 0.00 0.41 0.00 0.00 41.25 41.95 2jon s ASN 72 CO 0.18 -0.62 1.90 0.77 -1.51 0.00 0.00 177.10 177.82 2jon h SER 73 N 0.87 0.00 -0.01 -1.22 4.64 -1.92 -2.35 113.55 113.56 2jon h SER 73 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2jon h SER 73 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jon h SER 73 CO 0.52 0.11 0.00 -2.67 -0.87 0.00 0.00 176.83 173.91 2jon n TRP 74 N -3.25 0.01 0.30 4.77 2.14 -1.26 -3.38 117.44 116.78 2jon n TRP 74 Ca 0.00 -0.01 0.15 0.00 2.07 0.00 0.00 57.50 59.72 2jon n TRP 74 Cb 0.37 0.00 0.50 0.00 -0.81 0.00 0.00 31.31 31.37 2jon n TRP 74 CO 0.00 0.00 0.00 -0.97 2.07 0.00 0.00 177.69 178.79 2jon h ASN 75 N 0.25 0.00 -2.71 -0.67 -0.00 -1.73 -3.41 115.58 107.32 2jon h ASN 75 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 2jon h ASN 75 Cb 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 38.28 2jon h ASN 75 CO 0.00 0.00 0.87 0.00 -0.00 0.00 0.00 177.43 178.30 2jon n ASP 77 N 8.58 2.09 0.06 0.00 8.00 -1.26 -4.80 116.55 129.22 2jon n ASP 77 Ca 0.03 -1.90 -0.03 0.00 0.71 0.00 0.00 54.79 53.60 2jon n ASP 77 Cb 0.48 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2jon n ASP 77 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jon h PHE 78 N 0.43 -0.18 -2.29 1.24 -1.00 -1.86 -3.49 116.94 109.79 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.50 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.07 2jon h PHE 78 CO 0.04 -0.10 0.72 0.45 -1.61 0.00 0.00 178.31 177.81 2jon s SER 79 N -2.35 -0.01 0.00 2.17 0.15 -1.26 -4.72 113.70 107.69 2jon s SER 79 Ca -0.03 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.27 2jon s SER 79 Cb 0.00 0.34 0.53 0.00 -1.71 0.00 0.00 66.02 65.19 2jon s SER 79 CO 0.08 -0.67 1.03 0.00 1.20 0.00 0.00 173.24 174.88 2jon n GLN 80 N -0.75 0.26 -0.11 5.44 6.02 -1.26 -2.63 117.38 124.35 2jon n GLN 80 Ca -0.01 0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 2jon n GLN 80 Cb 0.59 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.26 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jon n THR 81 N -1.05 1.51 -2.66 5.09 -2.24 -1.26 -4.81 114.28 108.87 2jon n THR 81 Ca 0.06 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jon n THR 81 Cb 0.04 -2.08 -0.03 0.00 -2.10 0.00 0.00 70.33 66.16 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon s ALA 82 N -2.49 3.05 0.35 6.98 0.00 -1.08 -3.39 121.76 125.19 2jon s ALA 82 Ca -0.29 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 2jon s ALA 82 Cb 0.07 -3.94 0.01 0.00 0.00 0.00 0.00 23.12 19.27 2jon s ALA 82 CO 0.50 -2.55 0.54 -0.08 0.00 0.00 0.00 175.76 174.17 2jon s THR 83 N 4.63 0.00 0.58 0.00 -1.32 -1.16 -4.47 115.64 113.89 2jon s THR 83 Ca 0.40 -1.47 -0.19 0.00 -1.21 0.00 0.00 61.69 59.22 2jon s THR 83 Cb -0.09 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 2jon s THR 83 CO 0.24 0.00 1.20 -0.76 -2.21 0.00 0.00 174.62 173.09 2jon s LEU 84 N -3.19 3.69 0.24 9.08 1.02 -1.25 -0.43 118.68 127.85 2jon s LEU 84 Ca 0.27 2.36 0.02 0.00 0.02 0.00 0.00 54.13 56.80 2jon s LEU 84 Cb -0.01 -4.58 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 2jon s LEU 84 CO 0.18 -1.51 0.07 0.28 0.02 0.00 0.00 176.35 175.38 2jon s THR 85 N -1.61 0.67 0.00 5.49 -1.32 0.15 -4.88 115.64 114.14 2jon s THR 85 Ca 0.76 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2jon s THR 85 Cb -0.29 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 2jon s THR 85 CO 0.32 -0.12 0.00 0.59 -2.21 0.00 0.00 174.62 173.20 2jon n ASN 86 N -0.43 -1.17 -3.91 8.08 4.13 -1.26 -3.71 115.26 117.00 2jon n ASN 86 Ca -0.02 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.00 2jon n ASN 86 Cb 0.65 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.97 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2jon n THR 87 N -2.39 0.00 -1.48 3.41 5.66 -1.26 -4.42 114.28 113.80 2jon n THR 87 Ca 0.00 -0.06 -0.46 0.00 -3.05 0.00 0.00 64.05 60.47 2jon n THR 87 Cb 0.00 -0.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 2jon n THR 87 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jon n ASN 88 N 1.39 2.02 0.00 1.09 4.05 -1.24 -4.77 115.26 117.80 2jon n ASN 88 Ca 0.01 0.19 0.08 0.00 0.45 0.00 0.00 54.58 55.31 2jon n ASN 88 Cb 0.47 -1.30 0.47 0.00 1.23 0.00 0.00 39.78 40.65 2jon n ASN 88 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jon n PRO 89 N 8.43 0.48 -1.48 1.20 -0.04 -1.26 -4.79 135.00 137.55 2jon n PRO 89 Ca 0.43 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.43 2jon n PRO 89 Cb 0.28 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2jon n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jon n SER 90 N -1.01 2.03 0.15 3.54 2.88 -1.26 -4.78 113.62 115.17 2jon n SER 90 Ca 0.12 0.19 0.13 0.00 -1.33 0.00 0.00 58.87 57.98 2jon n SER 90 Cb 0.06 -1.31 0.41 0.00 -0.75 0.00 0.00 64.21 62.62 2jon n SER 90 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 2jon h TYR 91 N 13.92 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 126.20 2jon h TYR 91 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 2jon h TYR 91 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.03 2jon h TYR 91 CO 0.97 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.54 2jon n GLY 92 N 0.83 -0.52 0.37 0.10 0.00 -1.26 -4.96 105.19 99.74 2jon n GLY 92 Ca 0.04 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.60 2jon n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 93 N 0.00 1.55 -1.48 4.61 0.00 -1.98 -3.37 119.26 118.60 2jon h ALA 93 Ca 0.00 0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.39 2jon h ALA 93 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2jon h ALA 93 CO 0.00 0.23 1.14 0.00 0.00 0.00 0.00 179.25 180.61 2jon s ASN 95 N 4.94 6.35 0.12 0.00 4.22 -1.26 -3.86 114.94 125.45 2jon s ASN 95 Ca 0.49 0.42 -0.10 0.00 -2.14 0.00 0.00 52.86 51.53 2jon s ASN 95 Cb -0.10 -2.07 -0.06 0.00 1.28 0.00 0.00 41.25 40.29 2jon s ASN 95 CO 0.20 0.36 0.44 -0.36 -2.04 0.00 0.00 177.10 175.71 2jon s PHE 96 N -0.74 3.55 0.03 1.54 0.40 -1.26 -5.03 117.98 116.47 2jon s PHE 96 Ca 0.14 0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 56.97 2jon s PHE 96 Cb -0.12 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 2jon s PHE 96 CO 0.03 0.46 1.43 -1.25 0.70 0.00 0.00 175.22 176.58 2jon s PRO 97 N -2.16 4.28 0.00 0.24 0.04 -1.26 -4.90 135.00 131.24 2jon s PRO 97 Ca 0.37 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2jon s PRO 97 Cb -0.13 -3.52 0.06 0.00 0.04 0.00 0.00 34.50 30.95 2jon s PRO 97 CO 0.20 -0.57 0.75 -1.13 0.04 0.00 0.00 177.00 176.29 2jon n SER 98 N 5.14 1.65 0.00 6.66 3.41 -1.26 -4.44 113.62 124.78 2jon n SER 98 Ca 0.13 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2jon n SER 98 Cb 0.43 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2jon n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jon n GLY 99 N 0.42 3.89 3.57 5.00 0.00 -1.26 -4.44 105.19 112.37 2jon n GLY 99 Ca 0.04 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2jon n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jon s SER 100 N -4.00 6.40 0.00 1.61 1.04 -1.26 -5.14 113.70 112.35 2jon s SER 100 Ca 0.00 0.14 0.32 0.00 0.48 0.00 0.00 55.95 56.88 2jon s SER 100 Cb 0.00 -2.31 1.84 0.00 0.10 0.00 0.00 66.02 65.65 2jon s SER 100 CO 0.00 -0.53 2.19 -3.20 0.98 0.00 0.00 173.24 172.67