#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 -0.14 1.00 0.00 2.01 -1.26 -5.16 115.64 112.10 2jon s THR 2 Ca 0.00 0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 2jon s THR 2 Cb 0.00 -0.18 0.25 0.00 0.01 0.00 0.00 72.50 72.58 2jon s THR 2 CO 0.00 0.16 0.89 -0.81 -0.69 0.00 0.00 174.62 174.18 2jon n PRO 3 N 5.21 -2.75 -2.11 4.92 -0.04 -1.26 -4.99 135.00 133.98 2jon n PRO 3 Ca -0.06 -1.43 -0.37 0.00 -0.04 0.00 0.00 63.50 61.61 2jon n PRO 3 Cb 0.50 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2jon n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jon s THR 4 N -2.62 2.79 -0.02 0.52 -4.23 -1.26 -4.97 115.64 105.85 2jon s THR 4 Ca 0.58 0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 61.41 2jon s THR 4 Cb -0.06 -3.28 -0.20 0.00 1.34 0.00 0.00 72.50 70.30 2jon s THR 4 CO 0.44 -0.02 1.23 1.55 -0.54 0.00 0.00 174.62 177.28 2jon h PRO 5 N 1.73 -0.05 -2.67 3.99 0.13 -2.02 -3.47 132.00 129.63 2jon h PRO 5 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2jon h PRO 5 Cb 1.27 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.24 2jon h PRO 5 CO 0.59 0.42 0.06 0.95 -0.23 0.00 0.00 178.00 179.78 2jon s THR 6 N -4.21 0.02 -2.00 1.56 -4.23 -1.26 -5.02 115.64 100.51 2jon s THR 6 Ca -0.15 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2jon s THR 6 Cb 0.02 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.90 2jon s THR 6 CO 0.65 -0.11 0.51 -0.81 -0.54 0.00 0.00 174.62 174.31 2jon n PRO 7 N 0.49 0.49 -1.49 3.99 -0.04 -1.26 -4.81 135.00 132.38 2jon n PRO 7 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.82 2jon n PRO 7 Cb 0.60 -1.01 -0.07 0.00 -0.04 0.00 0.00 33.50 32.98 2jon n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jon n LYS 8 N -0.51 0.97 -0.38 0.54 4.81 -1.26 -4.91 118.16 117.42 2jon n LYS 8 Ca 0.00 0.20 -0.25 0.00 -0.87 0.00 0.00 58.31 57.39 2jon n LYS 8 Cb 0.00 -2.60 0.23 0.00 0.02 0.00 0.00 35.03 32.68 2jon n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jon n ALA 9 N 11.46 -3.20 -3.76 3.14 0.00 -1.26 -5.06 120.51 121.83 2jon n ALA 9 Ca 0.43 -1.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 2jon n ALA 9 Cb 0.29 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 2jon n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon s ALA 10 N -2.13 -0.85 0.00 0.00 0.00 -1.26 -4.77 121.76 112.75 2jon s ALA 10 Ca 0.55 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2jon s ALA 10 Cb -0.11 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2jon s ALA 10 CO 0.49 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2jon n GLY 11 N -0.50 0.79 3.02 0.00 0.00 -1.26 -5.09 105.19 102.16 2jon n GLY 11 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.15 -0.06 1.61 0.01 -1.26 -4.44 113.70 109.41 2jon s SER 12 Ca 0.00 0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 2jon s SER 12 Cb 0.00 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.55 2jon s SER 12 CO 0.00 -0.05 -0.02 0.26 0.41 0.00 0.00 173.24 173.84 2jon s TRP 13 N 0.08 0.73 -0.51 2.43 0.51 -1.25 -4.52 118.94 116.42 2jon s TRP 13 Ca -0.00 -0.21 -0.15 0.00 -2.12 0.00 0.00 56.10 53.62 2jon s TRP 13 Cb -0.01 -0.74 0.11 0.00 -0.81 0.00 0.00 33.47 32.02 2jon s TRP 13 CO 0.00 -0.26 0.45 0.00 -0.51 0.00 0.00 176.95 176.63 2jon s VAL 15 N 1.60 0.07 0.03 0.00 -7.23 0.27 -4.75 120.40 110.40 2jon s VAL 15 Ca 0.03 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2jon s VAL 15 Cb -0.28 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 2jon s VAL 15 CO 0.04 -0.32 1.42 -2.16 -0.31 0.00 0.00 175.10 173.77 2jon s PRO 16 N -2.29 4.28 -0.28 4.82 0.04 -1.26 -3.02 135.00 137.30 2jon s PRO 16 Ca -0.07 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.65 2jon s PRO 16 Cb -0.02 -3.50 -0.12 0.00 0.04 0.00 0.00 34.50 30.91 2jon s PRO 16 CO -0.02 -0.56 2.07 0.36 0.04 0.00 0.00 177.00 178.90 2jon n LYS 17 N 5.06 1.38 -2.03 4.56 2.85 -1.17 -4.81 118.16 124.00 2jon n LYS 17 Ca 0.13 0.43 -0.29 0.00 -1.05 0.00 0.00 58.31 57.53 2jon n LYS 17 Cb 0.43 -2.51 -0.06 0.00 -0.65 0.00 0.00 35.03 32.24 2jon n LYS 17 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2jon n PRO 18 N 7.55 1.59 0.00 -1.58 -0.04 -1.26 -4.12 135.00 137.13 2jon n PRO 18 Ca 0.35 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 2jon n PRO 18 Cb 0.24 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.00 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 5.73 -1.80 3.75 0.55 0.00 -1.26 -5.18 105.19 106.97 2jon n GLY 19 Ca 0.45 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 47.00 2jon n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jon s VAL 20 N 0.00 0.00 -0.27 1.61 -7.23 -1.26 -5.11 120.40 108.15 2jon s VAL 20 Ca 0.00 -1.12 -0.35 0.00 -1.81 0.00 0.00 61.98 58.69 2jon s VAL 20 Cb 0.00 -2.76 -0.12 0.00 0.56 0.00 0.00 36.38 34.06 2jon s VAL 20 CO 0.00 0.00 2.05 -1.20 -0.31 0.00 0.00 175.10 175.64 2jon n SER 21 N -1.33 2.56 -0.27 4.85 7.64 -1.26 -4.83 113.62 120.97 2jon n SER 21 Ca -0.06 0.64 -0.03 0.00 1.01 0.00 0.00 58.87 60.43 2jon n SER 21 Cb 0.60 -1.29 0.03 0.00 -1.01 0.00 0.00 64.21 62.54 2jon n SER 21 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2jon h ASP 22 N 10.98 -1.21 -0.93 6.43 3.32 -2.00 1.00 116.42 134.00 2jon h ASP 22 Ca -0.36 0.26 0.27 0.00 0.02 0.00 0.00 57.03 57.21 2jon h ASP 22 Cb 1.30 0.63 -0.04 0.00 0.22 0.00 0.00 39.33 41.45 2jon h ASP 22 CO 0.99 -0.30 0.67 -0.78 -1.72 0.00 0.00 179.24 178.10 2jon h ASP 23 N -0.09 0.01 0.12 6.45 3.58 -1.96 0.33 116.42 124.86 2jon h ASP 23 Ca 0.29 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2jon h ASP 23 Cb 0.57 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2jon h ASP 23 CO -0.80 0.00 -0.06 -0.61 -2.88 0.00 0.00 179.24 174.89 2jon h GLN 24 N 0.01 -0.15 -0.06 0.28 4.15 0.69 -2.97 115.11 117.06 2jon h GLN 24 Ca 0.44 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.74 2jon h GLN 24 Cb 1.76 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.48 2jon h GLN 24 CO -0.01 0.02 -0.57 -0.07 -1.93 0.00 0.00 178.83 176.27 2jon h LEU 25 N -0.30 0.20 0.00 -2.39 -0.00 -0.95 -2.72 115.31 109.16 2jon h LEU 25 Ca -0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2jon h LEU 25 Cb 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2jon h LEU 25 CO 0.03 0.73 0.00 0.41 -0.00 0.00 0.00 178.44 179.61 2jon n THR 26 N -3.89 0.13 0.01 0.22 -1.04 -0.06 -2.31 114.28 107.34 2jon n THR 26 Ca -0.02 0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.83 2jon n THR 26 Cb 0.59 -0.87 -0.14 0.00 -1.82 0.00 0.00 70.33 68.09 2jon n THR 26 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2jon h GLY 27 N 1.68 0.27 0.78 3.41 0.00 -1.33 -3.37 103.07 104.52 2jon h GLY 27 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 2jon h GLY 27 CO 0.00 0.61 -0.33 3.45 0.00 0.00 0.00 176.54 180.27 2jon h ASN 28 N 0.07 -0.86 -0.90 0.19 7.08 -1.61 -2.64 115.58 116.90 2jon h ASN 28 Ca -0.38 0.06 0.25 0.00 -3.08 0.00 0.00 56.30 53.15 2jon h ASN 28 Cb 2.04 0.27 -0.16 0.00 -2.08 0.00 0.00 38.32 38.39 2jon h ASN 28 CO 0.10 -0.50 0.14 0.40 -2.08 0.00 0.00 177.43 175.50 2jon h ILE 29 N -0.77 0.20 -0.51 6.14 2.04 -1.76 0.34 117.51 123.18 2jon h ILE 29 Ca -0.05 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.88 2jon h ILE 29 Cb 0.65 0.08 -0.10 0.00 -0.74 0.00 0.00 36.82 36.71 2jon h ILE 29 CO 0.02 0.02 -0.17 0.78 0.00 0.00 0.00 178.15 178.79 2jon h ASN 30 N 0.11 -0.62 0.06 1.72 2.35 -1.62 0.30 115.58 117.88 2jon h ASN 30 Ca 0.56 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 56.48 2jon h ASN 30 Cb 1.16 0.37 0.00 0.00 0.05 0.00 0.00 38.32 39.90 2jon h ASN 30 CO -0.76 -0.21 -0.03 0.22 -1.65 0.00 0.00 177.43 175.00 2jon h TYR 31 N -0.05 -0.08 -0.43 1.19 3.20 -0.60 -3.33 116.97 116.86 2jon h TYR 31 Ca 0.24 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2jon h TYR 31 Cb 0.43 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.63 2jon h TYR 31 CO -0.47 0.51 -0.45 0.00 -1.64 0.00 0.00 178.16 176.11 2jon h ALA 32 N -0.07 -0.46 -0.02 1.82 0.00 -0.21 0.65 119.26 120.97 2jon h ALA 32 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jon h ALA 32 Cb 0.63 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2jon h ALA 32 CO 0.01 -0.88 0.68 0.00 0.00 0.00 0.00 179.25 179.06 2jon n SER 34 N -2.70 0.55 -0.12 0.00 2.88 0.23 -3.58 113.62 110.87 2jon n SER 34 Ca -0.01 -2.02 -0.26 0.00 -1.33 0.00 0.00 58.87 55.26 2jon n SER 34 Cb 0.71 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.90 2jon n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jon n GLN 35 N -0.25 0.61 0.00 -1.46 0.00 0.42 -5.05 117.38 111.65 2jon n GLN 35 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 2jon n GLN 35 Cb 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.81 2jon n GLN 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jon n GLY 36 N 1.55 3.42 0.12 1.69 0.00 -1.24 -4.87 105.19 105.86 2jon n GLY 36 Ca -0.48 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 0.06 -0.08 -0.61 -5.35 -1.26 -3.86 119.36 108.27 2jon n ILE 37 Ca 0.00 -0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.31 2jon n ILE 37 Cb 0.00 -0.09 -0.05 0.00 -1.74 0.00 0.00 39.64 37.76 2jon n ILE 37 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2jon h ASP 38 N 0.47 0.00 -3.02 7.28 3.32 -1.87 -3.41 116.42 119.18 2jon h ASP 38 Ca 0.00 -0.20 -0.58 0.00 0.02 0.00 0.00 57.03 56.27 2jon h ASP 38 Cb 0.10 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2jon h ASP 38 CO 0.00 0.92 0.84 0.00 -1.72 0.00 0.00 179.24 179.28 2jon n GLY 40 N 3.42 2.38 0.00 0.00 0.00 -1.26 -4.85 105.19 104.88 2jon n GLY 40 Ca 0.13 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.21 135.00 132.49 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 -1.26 0.05 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.76 0.29 -2.36 0.52 -5.35 -1.25 -4.85 119.36 105.61 2jon n ILE 42 Ca 0.06 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 2jon n ILE 42 Cb 0.03 -0.37 -0.03 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 -1.34 4.33 1.15 6.28 -1.52 -1.20 -4.86 119.66 122.50 2jon s GLN 43 Ca 0.07 1.81 -0.17 0.00 -1.95 0.00 0.00 55.36 55.11 2jon s GLN 43 Cb 0.05 -3.54 0.26 0.00 -0.22 0.00 0.00 33.01 29.56 2jon s GLN 43 CO 0.02 -0.48 1.11 -1.25 -0.25 0.00 0.00 175.29 174.44 2jon s PRO 44 N 2.16 -0.84 0.00 2.91 0.04 -1.26 -5.03 135.00 132.99 2jon s PRO 44 Ca 0.59 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2jon s PRO 44 Cb -0.28 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2jon s PRO 44 CO 0.25 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2jon n GLY 45 N -0.98 0.00 0.00 0.56 0.00 -1.26 -5.05 105.19 98.46 2jon n GLY 45 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 3.04 0.93 0.08 -0.02 0.00 -1.26 -5.00 105.19 102.97 2jon n GLY 46 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.51 -0.04 4.61 0.00 -1.96 -3.32 119.26 118.03 2jon h ALA 47 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jon h ALA 47 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jon h ALA 47 CO 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.70 2jon n PHE 49 N 0.16 -0.35 -3.66 0.00 7.35 -1.25 -4.20 117.46 115.51 2jon n PHE 49 Ca 0.03 1.25 -0.36 0.00 -0.76 0.00 0.00 57.45 57.61 2jon n PHE 49 Cb 0.17 -0.64 -0.07 0.00 0.35 0.00 0.00 39.48 39.29 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 -5.59 4.13 0.52 -4.13 0.41 -1.26 -1.25 118.70 111.53 2jon s GLU 50 Ca -0.12 -0.06 -0.20 0.00 -0.41 0.00 0.00 54.97 54.17 2jon s GLU 50 Cb 0.13 -3.39 -0.06 0.00 -1.78 0.00 0.00 34.13 29.03 2jon s GLU 50 CO 0.64 0.34 1.14 -1.25 -0.49 0.00 0.00 175.26 175.64 2jon s PRO 51 N 0.21 3.46 -0.15 0.39 0.04 -1.26 -5.05 135.00 132.64 2jon s PRO 51 Ca 0.13 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 2jon s PRO 51 Cb -0.12 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2jon s PRO 51 CO 0.01 -0.77 0.08 0.54 0.04 0.00 0.00 177.00 176.90 2jon s ASN 52 N -1.65 5.81 0.54 6.66 2.20 -0.38 -5.05 114.94 123.07 2jon s ASN 52 Ca 0.70 0.21 -0.15 0.00 -0.94 0.00 0.00 52.86 52.67 2jon s ASN 52 Cb -0.25 -1.91 -0.07 0.00 -2.00 0.00 0.00 41.25 37.01 2jon s ASN 52 CO 0.29 0.27 1.00 0.42 -2.94 0.00 0.00 177.10 176.14 2jon s THR 53 N -0.21 4.56 0.02 0.54 -4.23 -1.26 -5.00 115.64 110.05 2jon s THR 53 Ca 0.08 1.15 -0.25 0.00 -1.18 0.00 0.00 61.69 61.49 2jon s THR 53 Cb -0.12 -3.74 -0.17 0.00 1.34 0.00 0.00 72.50 69.81 2jon s THR 53 CO 0.01 -0.78 1.32 0.58 -0.54 0.00 0.00 174.62 175.21 2jon h VAL 54 N 0.66 0.80 -0.05 2.29 2.07 -1.98 -2.82 116.25 117.22 2jon h VAL 54 Ca -0.46 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2jon h VAL 54 Cb 1.19 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jon h VAL 54 CO 0.61 0.12 0.00 2.29 0.02 0.00 0.00 177.57 180.61 2jon n LYS 55 N -5.11 1.28 -0.10 1.57 0.00 -1.26 -4.31 118.16 110.23 2jon n LYS 55 Ca -0.09 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.31 57.88 2jon n LYS 55 Cb 0.24 -1.46 -0.03 0.00 -0.00 0.00 0.00 35.03 33.78 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 2.35 -0.29 -0.69 0.58 0.00 -1.88 -1.63 119.26 117.71 2jon h ALA 56 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2jon h ALA 56 Cb 0.51 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2jon h ALA 56 CO 0.03 -0.78 -0.25 1.58 0.00 0.00 0.00 179.25 179.83 2jon n HIS 57 N -5.42 0.07 -0.17 0.00 -0.00 -1.26 0.24 115.22 108.68 2jon n HIS 57 Ca -0.00 0.85 -0.08 0.00 -0.00 0.00 0.00 57.72 58.49 2jon n HIS 57 Cb 0.34 -0.79 0.07 0.00 -0.00 0.00 0.00 29.99 29.61 2jon n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jon h ALA 58 N 1.04 0.90 -0.76 1.57 0.00 -1.66 -2.33 119.26 118.02 2jon h ALA 58 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jon h ALA 58 Cb 0.43 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2jon h ALA 58 CO -0.69 0.64 0.50 0.00 0.00 0.00 0.00 179.25 179.70 2jon h ALA 59 N 1.07 0.96 0.66 0.00 0.00 0.36 0.11 119.26 122.43 2jon h ALA 59 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jon h ALA 59 Cb 0.57 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jon h ALA 59 CO 0.03 0.38 -0.32 -0.92 0.00 0.00 0.00 179.25 178.43 2jon h TYR 60 N 1.03 -0.83 -0.79 0.00 5.03 -0.45 -3.15 116.97 117.81 2jon h TYR 60 Ca 0.28 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.72 2jon h TYR 60 Cb -0.11 0.27 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 2jon h TYR 60 CO -0.02 -0.51 0.52 -0.24 -1.32 0.00 0.00 178.16 176.59 2jon h VAL 61 N -1.19 0.79 -0.77 1.81 3.04 -1.40 -0.46 116.25 118.07 2jon h VAL 61 Ca -0.09 -0.16 0.22 0.00 -1.01 0.00 0.00 66.70 65.67 2jon h VAL 61 Cb 0.68 0.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 2jon h VAL 61 CO 0.15 0.08 0.88 0.24 -1.01 0.00 0.00 177.57 177.92 2jon h MET 62 N 0.46 0.00 0.47 4.17 2.86 -0.72 0.25 114.93 122.43 2jon h MET 62 Ca 0.39 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 2jon h MET 62 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2jon h MET 62 CO -0.14 0.00 -0.23 -0.97 1.06 0.00 0.00 176.91 176.64 2jon h ASN 63 N 0.00 -0.54 0.12 1.22 -0.73 -1.19 -2.81 115.58 111.65 2jon h ASN 63 Ca 0.37 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.55 2jon h ASN 63 Cb 2.13 0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.86 2jon h ASN 63 CO -0.00 -0.29 -0.06 0.17 -0.37 0.00 0.00 177.43 176.87 2jon h LEU 64 N -0.82 -0.14 -0.96 0.34 -0.00 -1.34 -3.25 115.31 109.14 2jon h LEU 64 Ca -0.06 -0.42 0.11 0.00 -0.00 0.00 0.00 57.88 57.51 2jon h LEU 64 Cb 0.49 0.04 -0.13 0.00 -0.00 0.00 0.00 40.66 41.05 2jon h LEU 64 CO 0.11 0.43 -0.49 0.00 -0.00 0.00 0.00 178.44 178.49 2jon n TYR 65 N -4.89 -0.23 -0.32 0.17 4.19 0.75 0.19 117.16 117.00 2jon n TYR 65 Ca -0.08 1.19 0.17 0.00 3.31 0.00 0.00 57.90 62.50 2jon n TYR 65 Cb 0.28 -0.70 0.41 0.00 0.49 0.00 0.00 39.34 39.82 2jon n TYR 65 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 2jon h TYR 66 N 0.00 0.86 -0.01 2.98 5.03 -1.60 0.68 116.97 124.91 2jon h TYR 66 Ca 0.23 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.57 2jon h TYR 66 Cb 0.47 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2jon h TYR 66 CO -0.93 0.15 -0.26 1.04 -1.32 0.00 0.00 178.16 176.85 2jon n GLN 67 N -4.70 1.05 0.00 1.82 6.02 0.37 -0.79 117.38 121.16 2jon n GLN 67 Ca 0.24 -0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 56.36 2jon n GLN 67 Cb 0.70 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.38 2jon n GLN 67 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2jon h HIS 68 N 1.67 0.86 0.12 1.08 2.76 0.83 -3.36 115.15 119.10 2jon h HIS 68 Ca 0.00 -0.43 -0.01 0.00 -2.20 0.00 0.00 60.37 57.73 2jon h HIS 68 Cb 0.57 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2jon h HIS 68 CO 0.00 1.25 -0.06 0.00 -1.30 0.00 0.00 177.93 177.83 2jon h ALA 69 N 0.42 -0.21 0.00 5.26 0.00 -1.64 -3.46 119.26 119.63 2jon h ALA 69 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jon h ALA 69 Cb 1.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2jon h ALA 69 CO 0.15 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2jon n GLY 70 N 1.30 0.75 3.32 0.00 0.00 -1.25 -4.99 105.19 104.31 2jon n GLY 70 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.84 -3.72 1.61 1.74 0.03 -4.96 116.66 107.53 2jon n ARG 71 Ca 0.00 0.58 -0.21 0.00 -0.77 0.00 0.00 57.85 57.44 2jon n ARG 71 Cb 0.37 -5.33 -0.04 0.00 -1.02 0.00 0.00 32.46 26.45 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 -2.75 5.08 0.47 0.55 0.01 -1.24 -4.93 114.94 112.13 2jon s ASN 72 Ca 0.39 -0.67 0.25 0.00 -0.71 0.00 0.00 52.86 52.12 2jon s ASN 72 Cb -0.20 -0.72 1.12 0.00 0.41 0.00 0.00 41.25 41.86 2jon s ASN 72 CO 0.49 -0.51 1.92 0.77 -1.51 0.00 0.00 177.10 178.25 2jon h SER 73 N 1.17 0.00 -0.01 -1.22 4.64 -1.93 -2.04 113.55 114.15 2jon h SER 73 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jon h SER 73 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jon h SER 73 CO 0.59 0.19 0.00 -2.67 -0.87 0.00 0.00 176.83 174.07 2jon n TRP 74 N -3.48 0.01 0.21 4.77 2.14 -1.26 -3.39 117.44 116.44 2jon n TRP 74 Ca -0.01 -0.01 0.09 0.00 2.07 0.00 0.00 57.50 59.65 2jon n TRP 74 Cb 0.36 0.00 0.37 0.00 -0.81 0.00 0.00 31.31 31.23 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 0.26 0.00 -2.69 -0.67 -1.24 -1.68 -3.41 115.58 106.15 2jon h ASN 75 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.44 2jon h ASN 75 Cb 0.06 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.01 2jon h ASN 75 CO 0.00 0.24 0.89 0.00 -1.29 0.00 0.00 177.43 177.28 2jon n ASP 77 N 8.66 2.26 0.05 0.00 9.92 -1.26 -4.80 116.55 131.38 2jon n ASP 77 Ca 0.03 -2.14 -0.02 0.00 -0.53 0.00 0.00 54.79 52.13 2jon n ASP 77 Cb 0.48 -0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 40.85 2jon n ASP 77 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jon h PHE 78 N 0.43 -0.15 -2.27 1.24 -1.00 -1.86 -3.49 116.94 109.84 2jon h PHE 78 Ca 0.00 -0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.03 2jon h PHE 78 Cb 0.62 0.05 -0.06 0.00 3.61 0.00 0.00 35.95 40.18 2jon h PHE 78 CO 0.06 -0.08 0.73 -1.12 -1.61 0.00 0.00 178.31 176.28 2jon s SER 79 N -2.33 -0.01 0.00 2.17 0.01 -1.26 -4.61 113.70 107.67 2jon s SER 79 Ca -0.02 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 56.89 2jon s SER 79 Cb 0.00 0.33 0.50 0.00 0.21 0.00 0.00 66.02 67.06 2jon s SER 79 CO 0.07 -0.65 1.02 0.00 0.41 0.00 0.00 173.24 174.09 2jon n GLN 80 N -0.75 0.23 -0.10 12.44 6.02 -1.26 -2.67 117.38 131.29 2jon n GLN 80 Ca -0.01 0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.85 2jon n GLN 80 Cb 0.59 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.08 1.50 -2.64 5.09 -2.24 -1.26 -4.80 114.28 108.85 2jon n THR 81 Ca 0.06 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 2jon n THR 81 Cb 0.04 -2.12 -0.03 0.00 -2.10 0.00 0.00 70.33 66.12 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 -2.52 2.96 0.34 6.98 0.00 -1.09 -3.05 121.76 125.38 2jon s ALA 82 Ca -0.28 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 2jon s ALA 82 Cb 0.07 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2jon s ALA 82 CO 0.47 -2.83 0.48 -0.08 0.00 0.00 0.00 175.76 173.80 2jon s THR 83 N 4.95 0.00 0.63 0.00 -1.32 -1.17 -4.44 115.64 114.30 2jon s THR 83 Ca 0.36 -1.58 -0.17 0.00 -1.21 0.00 0.00 61.69 59.09 2jon s THR 83 Cb -0.09 -2.63 -0.01 0.00 -1.51 0.00 0.00 72.50 68.26 2jon s THR 83 CO 0.19 0.00 1.17 -0.76 -2.21 0.00 0.00 174.62 173.01 2jon s LEU 84 N -3.22 3.52 0.23 9.08 1.43 -1.25 -0.57 118.68 127.89 2jon s LEU 84 Ca 0.30 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 55.65 2jon s LEU 84 Cb -0.00 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 2jon s LEU 84 CO 0.19 -1.69 0.05 0.28 0.23 0.00 0.00 176.35 175.41 2jon s THR 85 N -1.93 0.71 0.00 5.49 -1.32 0.19 -4.87 115.64 113.91 2jon s THR 85 Ca 0.73 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 2jon s THR 85 Cb -0.26 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 2jon s THR 85 CO 0.37 -0.22 0.00 0.59 -2.21 0.00 0.00 174.62 173.15 2jon n ASN 86 N -0.39 -1.20 -3.86 8.08 3.02 -1.26 -3.74 115.26 115.90 2jon n ASN 86 Ca -0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.30 2jon n ASN 86 Cb 0.65 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.90 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2jon n THR 87 N -2.45 0.00 -1.47 3.41 5.66 -1.26 -4.44 114.28 113.73 2jon n THR 87 Ca 0.00 -0.07 -0.48 0.00 -3.05 0.00 0.00 64.05 60.46 2jon n THR 87 Cb 0.00 -0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 68.45 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 0.96 2.12 0.00 1.09 4.05 -1.26 -4.78 115.26 117.45 2jon n ASN 88 Ca 0.01 0.28 0.08 0.00 0.45 0.00 0.00 54.58 55.40 2jon n ASN 88 Cb 0.43 -1.30 0.42 0.00 1.23 0.00 0.00 39.78 40.56 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 8.36 0.35 -1.48 1.20 -0.04 -1.26 -4.78 135.00 137.34 2jon n PRO 89 Ca 0.42 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 63.49 2jon n PRO 89 Cb 0.27 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.14 2.00 0.15 3.54 2.88 -1.26 -4.78 113.62 115.01 2jon n SER 90 Ca 0.09 0.17 0.13 0.00 -1.33 0.00 0.00 58.87 57.94 2jon n SER 90 Cb 0.09 -1.30 0.48 0.00 -0.75 0.00 0.00 64.21 62.72 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 14.03 0.00 0.00 0.66 -0.00 -1.87 -3.48 116.97 126.32 2jon h TYR 91 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.49 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 0.40 -0.77 0.16 0.10 0.00 -1.26 -4.98 105.19 98.85 2jon n GLY 92 Ca 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.67 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 2.00 0.96 -1.46 4.61 0.00 -2.02 -3.41 119.26 119.95 2jon h ALA 93 Ca 0.00 -0.52 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 2jon h ALA 93 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2jon h ALA 93 CO 0.00 0.71 1.09 0.00 0.00 0.00 0.00 179.25 181.05 2jon s ASN 95 N 4.30 6.43 0.46 0.00 4.22 -1.26 -3.87 114.94 125.23 2jon s ASN 95 Ca 0.44 0.52 -0.08 0.00 -2.14 0.00 0.00 52.86 51.59 2jon s ASN 95 Cb -0.09 -2.09 -0.05 0.00 1.28 0.00 0.00 41.25 40.30 2jon s ASN 95 CO 0.19 0.40 0.81 -0.36 -2.04 0.00 0.00 177.10 176.10 2jon s PHE 96 N -1.01 3.53 -0.45 1.54 0.40 -1.26 -5.00 117.98 115.73 2jon s PHE 96 Ca 0.16 0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 57.19 2jon s PHE 96 Cb -0.12 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 2jon s PHE 96 CO 0.05 -0.25 1.76 -1.25 0.70 0.00 0.00 175.22 176.22 2jon s PRO 97 N -4.39 3.12 0.06 0.24 0.04 -1.26 -4.84 135.00 127.97 2jon s PRO 97 Ca 0.50 1.05 0.28 0.00 0.04 0.00 0.00 61.00 62.86 2jon s PRO 97 Cb -0.10 -4.24 1.03 0.00 0.04 0.00 0.00 34.50 31.23 2jon s PRO 97 CO 0.40 -2.13 1.82 -1.13 0.04 0.00 0.00 177.00 176.00 2jon n SER 98 N 10.94 0.29 -3.15 6.66 3.41 -1.26 -3.87 113.62 126.63 2jon n SER 98 Ca 0.21 0.44 -0.21 0.00 -0.26 0.00 0.00 58.87 59.06 2jon n SER 98 Cb 0.49 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.44 -0.33 3.85 5.00 0.00 -1.26 -4.65 105.19 109.25 2jon n GLY 99 Ca 0.06 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2jon n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jon s SER 100 N -2.27 6.75 0.00 1.61 0.15 -1.26 -4.58 113.70 114.10 2jon s SER 100 Ca 0.40 1.21 0.24 0.00 0.70 0.00 0.00 55.95 58.49 2jon s SER 100 Cb -0.24 -2.34 1.41 0.00 -1.71 0.00 0.00 66.02 63.14 2jon s SER 100 CO 0.49 -0.17 1.77 -0.46 1.20 0.00 0.00 173.24 176.08