#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 5.24 0.82 0.00 2.01 -1.26 -5.08 115.64 117.38 2jon s THR 2 Ca 0.00 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 2jon s THR 2 Cb 0.00 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.97 2jon s THR 2 CO 0.00 0.19 1.09 -2.16 -0.69 0.00 0.00 174.62 173.05 2jon s PRO 3 N 1.90 1.88 -0.33 4.92 0.04 -1.26 -4.98 135.00 137.18 2jon s PRO 3 Ca 0.11 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 2jon s PRO 3 Cb -0.16 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2jon s PRO 3 CO 0.11 -1.87 1.07 0.95 0.04 0.00 0.00 177.00 177.29 2jon s THR 4 N -2.92 4.50 1.21 1.26 -4.23 -1.26 -5.03 115.64 109.17 2jon s THR 4 Ca 0.62 1.67 -0.19 0.00 -1.18 0.00 0.00 61.69 62.60 2jon s THR 4 Cb -0.17 -4.42 0.29 0.00 1.34 0.00 0.00 72.50 69.53 2jon s THR 4 CO 0.56 -0.52 1.11 -2.16 -0.54 0.00 0.00 174.62 173.08 2jon s PRO 5 N 3.69 -1.25 -0.52 3.99 0.04 -1.26 -4.99 135.00 134.69 2jon s PRO 5 Ca 0.45 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.24 2jon s PRO 5 Cb -0.12 -1.59 0.09 0.00 0.04 0.00 0.00 34.50 32.92 2jon s PRO 5 CO 0.17 -3.73 0.53 0.95 0.04 0.00 0.00 177.00 174.96 2jon s THR 6 N -3.01 5.07 0.48 1.26 -4.23 -1.26 -5.06 115.64 108.90 2jon s THR 6 Ca 0.71 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2jon s THR 6 Cb -0.10 -4.30 0.12 0.00 1.34 0.00 0.00 72.50 69.57 2jon s THR 6 CO 0.56 -0.82 0.43 -0.81 -0.54 0.00 0.00 174.62 173.44 2jon n PRO 7 N 5.64 -1.85 -3.07 3.99 -0.04 -1.26 -4.99 135.00 133.41 2jon n PRO 7 Ca -0.11 -0.69 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 2jon n PRO 7 Cb 0.43 -0.64 -0.05 0.00 -0.04 0.00 0.00 33.50 33.19 2jon n PRO 7 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jon s LYS 8 N -3.97 4.24 1.02 0.54 -0.14 -1.26 -5.05 119.74 115.12 2jon s LYS 8 Ca 0.28 0.71 -0.12 0.00 -1.36 0.00 0.00 55.97 55.48 2jon s LYS 8 Cb -0.03 -3.57 0.16 0.00 -1.68 0.00 0.00 37.83 32.72 2jon s LYS 8 CO 0.21 -0.23 0.83 0.00 -0.76 0.00 0.00 175.35 175.40 2jon n ALA 9 N 4.99 -2.14 -3.82 5.17 0.00 -1.26 -5.04 120.51 118.41 2jon n ALA 9 Ca -0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.53 2jon n ALA 9 Cb 0.50 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.48 -0.86 0.00 0.00 0.00 -1.26 -5.09 121.76 112.07 2jon s ALA 10 Ca 0.64 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2jon s ALA 10 Cb -0.22 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2jon s ALA 10 CO 0.63 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2jon n GLY 11 N -0.53 5.25 3.36 0.00 0.00 -1.26 -5.12 105.19 106.90 2jon n GLY 11 Ca -0.07 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 1.00 -0.36 -0.25 1.61 0.01 -1.26 -4.72 113.70 109.73 2jon s SER 12 Ca 0.00 0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 2jon s SER 12 Cb 0.00 0.46 0.12 0.00 0.21 0.00 0.00 66.02 66.80 2jon s SER 12 CO 0.00 -0.69 0.27 0.26 0.41 0.00 0.00 173.24 173.50 2jon s TRP 13 N -2.42 -0.41 -0.50 2.43 0.51 -1.25 -4.71 118.94 112.59 2jon s TRP 13 Ca -0.06 0.09 -0.28 0.00 -2.12 0.00 0.00 56.10 53.74 2jon s TRP 13 Cb -0.01 -0.37 -0.00 0.00 -0.81 0.00 0.00 33.47 32.27 2jon s TRP 13 CO -0.02 -0.77 1.63 0.00 -0.51 0.00 0.00 176.95 177.29 2jon s VAL 15 N 7.05 0.01 -0.09 0.00 -7.23 -0.79 -4.80 120.40 114.56 2jon s VAL 15 Ca 0.64 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.44 2jon s VAL 15 Cb -0.14 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2jon s VAL 15 CO 0.27 -0.04 1.52 -2.16 -0.31 0.00 0.00 175.10 174.37 2jon s PRO 16 N -2.13 4.20 -0.19 4.82 0.04 -1.16 -3.59 135.00 136.99 2jon s PRO 16 Ca -0.07 2.01 -0.37 0.00 0.04 0.00 0.00 61.00 62.62 2jon s PRO 16 Cb -0.01 -3.89 -0.13 0.00 0.04 0.00 0.00 34.50 30.51 2jon s PRO 16 CO 0.01 -0.79 1.85 1.63 0.04 0.00 0.00 177.00 179.75 2jon n LYS 17 N 6.87 1.70 -2.05 4.56 5.02 -0.60 -4.82 118.16 128.84 2jon n LYS 17 Ca 0.16 0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 56.79 2jon n LYS 17 Cb 0.43 -2.42 -0.06 0.00 -0.02 0.00 0.00 35.03 32.97 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jon s PRO 18 N 4.04 2.52 0.00 1.97 0.04 -1.26 -2.63 135.00 139.67 2jon s PRO 18 Ca 0.96 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2jon s PRO 18 Cb -0.85 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 28.54 2jon s PRO 18 CO 0.57 -3.68 0.00 0.41 0.04 0.00 0.00 177.00 174.34 2jon n GLY 19 N 6.35 0.15 3.67 0.56 0.00 -1.26 -5.15 105.19 109.50 2jon n GLY 19 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 2jon n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jon s VAL 20 N 0.00 2.46 -0.51 1.61 1.01 -1.08 -4.82 120.40 119.08 2jon s VAL 20 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2jon s VAL 20 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 2jon s VAL 20 CO 0.00 -0.20 2.38 -1.20 0.00 0.00 0.00 175.10 176.09 2jon n SER 21 N -4.14 2.03 -0.15 3.32 7.64 -1.26 -4.83 113.62 116.23 2jon n SER 21 Ca 0.08 -0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.86 2jon n SER 21 Cb 0.54 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 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 12.83 -0.37 -0.26 6.43 9.92 -1.26 0.17 116.55 144.00 2jon n ASP 22 Ca 0.42 0.97 0.23 0.00 -0.53 0.00 0.00 54.79 55.88 2jon n ASP 22 Cb 0.36 -0.26 0.42 0.00 -0.64 0.00 0.00 41.12 41.00 2jon n ASP 22 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jon n ASP 23 N -3.78 0.19 -0.08 -2.24 8.00 -1.26 0.19 116.55 117.57 2jon n ASP 23 Ca 0.01 1.35 -0.10 0.00 0.71 0.00 0.00 54.79 56.76 2jon n ASP 23 Cb 0.09 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 2jon n ASP 23 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2jon h GLN 24 N 0.00 0.38 -0.13 -1.24 5.75 0.13 -2.80 115.11 117.21 2jon h GLN 24 Ca 0.64 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.95 2jon h GLN 24 Cb 1.62 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.10 2jon h GLN 24 CO -0.66 0.39 -0.49 -0.07 -2.65 0.00 0.00 178.83 175.35 2jon h LEU 25 N 0.28 0.36 -1.50 -2.39 -0.00 0.23 -3.00 115.31 109.29 2jon h LEU 25 Ca 0.09 -0.17 0.09 0.00 -0.00 0.00 0.00 57.88 57.89 2jon h LEU 25 Cb 0.14 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 2jon h LEU 25 CO -0.01 0.79 0.45 0.74 -0.00 0.00 0.00 178.44 180.41 2jon h THR 26 N 0.26 0.94 0.00 0.22 2.02 -0.21 -0.23 112.91 115.91 2jon h THR 26 Ca 0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2jon h THR 26 Cb 0.96 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2jon h THR 26 CO 0.08 0.10 -0.06 1.23 0.37 0.00 0.00 175.52 177.24 2jon h GLY 27 N 0.57 0.00 0.98 2.16 0.00 -1.35 -2.45 103.07 102.98 2jon h GLY 27 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 2jon h GLY 27 CO -0.10 0.00 0.20 3.43 0.00 0.00 0.00 176.54 180.07 2jon h ASN 28 N 0.00 0.75 0.15 0.19 2.35 -1.17 -1.96 115.58 115.90 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 0.14 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jon h ASN 28 CO 0.01 0.73 -0.07 0.40 -1.65 0.00 0.00 177.43 176.85 2jon h ILE 29 N 0.73 0.92 -0.62 2.81 2.04 -1.52 0.29 117.51 122.16 2jon h ILE 29 Ca 0.18 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2jon h ILE 29 Cb 0.22 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 2jon h ILE 29 CO -0.01 0.06 0.25 0.78 0.00 0.00 0.00 178.15 179.23 2jon h ASN 30 N -0.32 0.27 0.45 1.72 2.35 -1.47 0.29 115.58 118.87 2jon h ASN 30 Ca -0.02 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2jon h ASN 30 Cb 0.25 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2jon h ASN 30 CO 0.03 0.16 -0.22 0.22 -1.65 0.00 0.00 177.43 175.97 2jon h TYR 31 N 0.44 -0.57 -0.65 1.19 3.20 -1.21 -3.27 116.97 116.10 2jon h TYR 31 Ca 0.31 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.30 2jon h TYR 31 Cb 0.37 0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 2jon h TYR 31 CO -0.16 -0.27 0.09 0.00 -1.64 0.00 0.00 178.16 176.19 2jon h ALA 32 N -0.87 0.75 0.00 1.82 0.00 -0.26 0.45 119.26 121.15 2jon h ALA 32 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jon h ALA 32 Cb 0.55 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2jon h ALA 32 CO 0.10 -0.35 0.40 0.00 0.00 0.00 0.00 179.25 179.40 2jon n SER 34 N -2.42 2.07 -0.12 0.00 2.88 0.16 -3.91 113.62 112.29 2jon n SER 34 Ca -0.01 -2.13 -0.25 0.00 -1.33 0.00 0.00 58.87 55.15 2jon n SER 34 Cb 0.43 -0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.33 0.62 0.00 -1.46 0.00 0.32 -5.06 117.38 112.13 2jon n GLN 35 Ca 0.10 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 2jon n GLN 35 Cb 0.39 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.08 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 1.65 3.38 0.46 1.69 0.00 -1.25 -4.89 105.19 106.23 2jon n GLY 36 Ca -0.48 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 0.17 -0.05 -0.61 -5.35 -1.26 -4.15 119.36 108.10 2jon n ILE 37 Ca 0.00 -0.29 -0.02 0.00 -0.27 0.00 0.00 62.75 62.18 2jon n ILE 37 Cb 0.00 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.86 0.00 -3.15 7.28 3.32 -1.86 -3.41 116.42 120.46 2jon h ASP 38 Ca 0.00 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.41 2jon h ASP 38 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2jon h ASP 38 CO 0.00 0.57 0.62 0.00 -1.72 0.00 0.00 179.24 178.71 2jon n GLY 40 N 3.27 2.31 0.00 0.00 0.00 -1.26 -4.80 105.19 104.71 2jon n GLY 40 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.12 1.61 -0.04 -1.26 -3.14 135.00 132.54 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 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.82 0.37 -2.76 0.52 -5.35 -1.24 -4.71 119.36 105.37 2jon n ILE 42 Ca 0.08 -0.21 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 2jon n ILE 42 Cb 0.03 -0.35 -0.05 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 -1.39 4.70 1.17 6.28 -0.21 -1.19 -4.56 119.66 124.47 2jon s GLN 43 Ca 0.08 1.42 -0.18 0.00 0.02 0.00 0.00 55.36 56.70 2jon s GLN 43 Cb 0.06 -3.36 0.27 0.00 1.00 0.00 0.00 33.01 30.98 2jon s GLN 43 CO 0.03 0.27 1.11 -1.25 -2.12 0.00 0.00 175.29 173.33 2jon s PRO 44 N -0.21 -0.99 -0.08 2.91 0.04 -1.26 -5.03 135.00 130.38 2jon s PRO 44 Ca 0.45 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2jon s PRO 44 Cb -0.23 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 2jon s PRO 44 CO 0.29 -3.57 -0.03 0.41 0.04 0.00 0.00 177.00 174.14 2jon n GLY 45 N -0.97 -0.23 0.00 0.56 0.00 -1.26 -5.04 105.19 98.25 2jon n GLY 45 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.83 1.56 0.10 -0.02 0.00 -1.26 -4.99 105.19 103.41 2jon n GLY 46 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.06 -0.00 4.61 0.00 -1.96 -3.37 119.26 117.48 2jon h ALA 47 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jon h ALA 47 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jon h ALA 47 CO 0.00 -1.04 -0.58 0.00 0.00 0.00 0.00 179.25 177.63 2jon n PHE 49 N -1.09 0.43 -3.60 0.00 7.35 -1.26 -3.99 117.46 115.29 2jon n PHE 49 Ca 0.03 1.06 -0.36 0.00 -0.76 0.00 0.00 57.45 57.42 2jon n PHE 49 Cb 0.23 -1.08 -0.08 0.00 0.35 0.00 0.00 39.48 38.90 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 -5.98 4.15 0.50 -4.13 2.02 -1.26 -0.04 118.70 113.96 2jon s GLU 50 Ca -0.12 -0.11 -0.21 0.00 0.02 0.00 0.00 54.97 54.54 2jon s GLU 50 Cb 0.25 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 2jon s GLU 50 CO 0.68 0.12 1.15 -1.25 0.02 0.00 0.00 175.26 175.98 2jon s PRO 51 N 0.86 3.55 0.08 0.39 0.04 -1.26 -5.04 135.00 133.63 2jon s PRO 51 Ca 0.11 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2jon s PRO 51 Cb -0.13 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2jon s PRO 51 CO 0.04 -0.71 0.14 1.21 0.04 0.00 0.00 177.00 177.72 2jon s ASN 52 N -1.57 5.88 0.32 6.66 3.04 0.94 -5.05 114.94 125.16 2jon s ASN 52 Ca 0.68 0.10 0.07 0.00 0.04 0.00 0.00 52.86 53.75 2jon s ASN 52 Cb -0.26 -1.68 -0.03 0.00 -1.54 0.00 0.00 41.25 37.74 2jon s ASN 52 CO 0.31 0.16 0.26 0.42 -3.04 0.00 0.00 177.10 175.20 2jon s THR 53 N -1.48 3.72 0.02 -5.21 -4.23 -1.26 -5.04 115.64 102.16 2jon s THR 53 Ca 0.32 -1.40 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 2jon s THR 53 Cb -0.12 -3.22 -0.16 0.00 1.34 0.00 0.00 72.50 70.34 2jon s THR 53 CO 0.25 -0.22 1.23 0.58 -0.54 0.00 0.00 174.62 175.92 2jon h VAL 54 N 1.33 0.40 -0.02 2.29 2.07 -1.99 -2.88 116.25 117.45 2jon h VAL 54 Ca -0.46 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2jon h VAL 54 Cb 1.25 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jon h VAL 54 CO 0.59 0.06 0.00 2.29 0.02 0.00 0.00 177.57 180.53 2jon n LYS 55 N -5.27 1.08 -0.18 1.57 0.00 -1.26 -4.18 118.16 109.91 2jon n LYS 55 Ca -0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.31 58.12 2jon n LYS 55 Cb 0.31 -1.35 0.08 0.00 -0.00 0.00 0.00 35.03 34.08 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 2.38 0.58 -0.49 0.58 0.00 -1.89 -2.31 119.26 118.11 2jon h ALA 56 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jon h ALA 56 Cb 0.36 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2jon h ALA 56 CO 0.01 -0.36 -0.52 0.45 0.00 0.00 0.00 179.25 178.82 2jon h HIS 57 N 0.16 -1.59 -0.99 0.00 3.86 -1.80 0.20 115.15 114.99 2jon h HIS 57 Ca 0.29 0.09 0.19 0.00 -1.16 0.00 0.00 60.37 59.78 2jon h HIS 57 Cb 0.44 0.76 -0.10 0.00 1.06 0.00 0.00 27.41 29.58 2jon h HIS 57 CO -0.30 -0.47 0.61 0.00 0.86 0.00 0.00 177.93 178.64 2jon h ALA 58 N 0.18 1.80 -0.97 2.45 0.00 -1.76 0.56 119.26 121.51 2jon h ALA 58 Ca 0.11 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2jon h ALA 58 Cb 0.58 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2jon h ALA 58 CO -0.64 -0.15 0.61 0.00 0.00 0.00 0.00 179.25 179.07 2jon h ALA 59 N 1.63 1.41 0.38 0.00 0.00 -0.29 0.53 119.26 122.92 2jon h ALA 59 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2jon h ALA 59 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jon h ALA 59 CO -0.33 0.30 -0.18 -0.92 0.00 0.00 0.00 179.25 178.12 2jon h TYR 60 N 1.04 -0.47 -0.67 0.00 5.03 -0.36 -3.23 116.97 118.31 2jon h TYR 60 Ca 0.45 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.88 2jon h TYR 60 Cb 0.33 0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.72 2jon h TYR 60 CO -0.01 -0.29 0.45 -0.24 -1.32 0.00 0.00 178.16 176.75 2jon h VAL 61 N -0.76 0.83 -1.34 1.81 3.04 -1.38 -0.91 116.25 117.54 2jon h VAL 61 Ca -0.05 -0.13 0.39 0.00 -1.01 0.00 0.00 66.70 65.90 2jon h VAL 61 Cb 0.39 0.43 -0.05 0.00 -2.01 0.00 0.00 31.29 30.04 2jon h VAL 61 CO 0.08 0.07 0.99 0.24 -1.01 0.00 0.00 177.57 177.94 2jon h MET 62 N 0.37 0.00 0.37 4.17 2.86 0.06 0.35 114.93 123.11 2jon h MET 62 Ca 0.32 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 2jon h MET 62 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2jon h MET 62 CO -0.09 0.00 -0.18 -0.97 1.06 0.00 0.00 176.91 176.73 2jon h ASN 63 N 0.00 -0.42 0.07 1.22 -0.73 -1.27 -2.22 115.58 112.24 2jon h ASN 63 Ca 0.64 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.82 2jon h ASN 63 Cb 2.61 0.11 0.00 0.00 0.27 0.00 0.00 38.32 41.31 2jon h ASN 63 CO -0.01 -0.25 -0.04 0.17 -0.37 0.00 0.00 177.43 176.94 2jon h LEU 64 N -0.60 -0.08 -0.92 0.34 -0.00 -1.43 -3.04 115.31 109.57 2jon h LEU 64 Ca -0.05 -0.26 0.26 0.00 -0.00 0.00 0.00 57.88 57.83 2jon h LEU 64 Cb 0.38 0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 40.92 2jon h LEU 64 CO 0.08 0.22 0.29 0.22 -0.00 0.00 0.00 178.44 179.25 2jon h TYR 65 N -0.39 0.44 -0.05 0.17 5.03 -0.47 1.40 116.97 123.08 2jon h TYR 65 Ca -0.01 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 2jon h TYR 65 Cb 0.34 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 2jon h TYR 65 CO 0.02 -0.24 -0.17 -0.92 -1.32 0.00 0.00 178.16 175.53 2jon h TYR 66 N 0.20 0.09 -0.02 -3.82 5.03 -1.30 -1.87 116.97 115.28 2jon h TYR 66 Ca 0.60 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.90 2jon h TYR 66 Cb 1.27 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.53 2jon h TYR 66 CO -0.23 0.26 -0.21 1.04 -1.32 0.00 0.00 178.16 177.69 2jon n GLN 67 N -4.29 1.70 -0.03 1.82 6.02 0.39 -1.71 117.38 121.27 2jon n GLN 67 Ca -0.02 -1.35 -0.14 0.00 -0.01 0.00 0.00 57.00 55.48 2jon n GLN 67 Cb 0.26 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 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 3.29 0.20 0.40 1.08 2.07 0.20 -3.34 115.15 119.05 2jon h HIS 68 Ca 0.00 -0.08 -0.02 0.00 -2.85 0.00 0.00 60.37 57.42 2jon h HIS 68 Cb 0.82 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.77 2jon h HIS 68 CO 0.00 0.77 -0.19 0.00 -3.07 0.00 0.00 177.93 175.44 2jon h ALA 69 N 0.39 -0.54 0.00 6.11 0.00 -1.75 -3.45 119.26 120.02 2jon h ALA 69 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jon h ALA 69 Cb 0.78 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jon h ALA 69 CO 0.03 -0.58 -0.02 0.41 0.00 0.00 0.00 179.25 179.08 2jon n GLY 70 N -0.08 -0.05 3.30 0.00 0.00 -1.26 -4.98 105.19 102.13 2jon n GLY 70 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.82 -3.55 1.61 1.74 -0.70 -4.95 116.66 106.98 2jon n ARG 71 Ca -0.02 0.58 -0.20 0.00 -0.77 0.00 0.00 57.85 57.44 2jon n ARG 71 Cb 0.19 -5.33 -0.02 0.00 -1.02 0.00 0.00 32.46 26.28 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 -2.74 5.57 0.46 0.55 0.01 -1.23 -4.94 114.94 112.61 2jon s ASN 72 Ca 0.39 -0.40 0.26 0.00 -0.71 0.00 0.00 52.86 52.40 2jon s ASN 72 Cb -0.20 -0.99 0.99 0.00 0.41 0.00 0.00 41.25 41.47 2jon s ASN 72 CO 0.48 -0.47 1.85 0.77 -1.51 0.00 0.00 177.10 178.22 2jon h SER 73 N 1.01 0.00 0.00 -1.22 4.64 -1.92 -2.43 113.55 113.63 2jon h SER 73 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.54 0.18 0.00 -2.67 -0.87 0.00 0.00 176.83 174.02 2jon n TRP 74 N -3.34 0.00 0.21 4.77 2.14 -1.26 -3.24 117.44 116.72 2jon n TRP 74 Ca 0.00 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 2jon n TRP 74 Cb 0.41 0.00 0.38 0.00 -0.81 0.00 0.00 31.31 31.29 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 0.00 0.00 -2.76 -0.67 -0.00 -1.74 -3.41 115.58 107.01 2jon h ASN 75 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.71 2jon h ASN 75 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 38.32 38.21 2jon h ASN 75 CO 0.00 0.22 0.77 0.00 -0.00 0.00 0.00 177.43 178.42 2jon n ASP 77 N 8.27 2.04 0.00 0.00 8.00 -1.26 -4.80 116.55 128.79 2jon n ASP 77 Ca 0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.65 2jon n ASP 77 Cb 0.47 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2jon n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jon n PHE 78 N -0.22 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.31 2jon n PHE 78 Ca 0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.49 2jon n PHE 78 Cb 0.25 -0.47 0.01 0.00 -0.01 0.00 0.00 39.48 39.26 2jon n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jon s SER 79 N -2.03 -0.01 0.00 4.37 0.15 -1.26 -4.80 113.70 110.12 2jon s SER 79 Ca 0.00 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.39 2jon s SER 79 Cb 0.00 0.26 0.47 0.00 -1.71 0.00 0.00 66.02 65.04 2jon s SER 79 CO 0.00 -0.52 1.03 1.67 1.20 0.00 0.00 173.24 176.62 2jon n GLN 80 N -0.78 0.20 -0.12 5.44 7.27 -1.26 -2.39 117.38 125.74 2jon n GLN 80 Ca -0.00 0.09 -0.25 0.00 0.07 0.00 0.00 57.00 56.91 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.63 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jon n THR 81 N -1.12 1.54 0.83 1.69 -2.24 -1.26 -4.32 114.28 109.40 2jon n THR 81 Ca 0.05 -0.41 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 2jon n THR 81 Cb 0.04 -1.76 0.02 0.00 -2.10 0.00 0.00 70.33 66.54 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon n ALA 82 N -3.77 2.69 -2.15 6.98 0.00 -1.01 -1.56 120.51 121.70 2jon n ALA 82 Ca -0.48 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 2jon n ALA 82 Cb 0.90 -1.03 0.12 0.00 0.00 0.00 0.00 19.45 19.45 2jon n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jon n THR 83 N 0.22 0.00 -1.93 0.00 5.66 -1.19 -3.28 114.28 113.77 2jon n THR 83 Ca 0.04 -1.01 -0.41 0.00 -3.05 0.00 0.00 64.05 59.61 2jon n THR 83 Cb 0.47 -1.29 -0.03 0.00 -1.55 0.00 0.00 70.33 67.93 2jon n THR 83 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jon s LEU 84 N 0.00 3.44 0.80 1.09 1.43 -1.26 -1.89 118.68 122.30 2jon s LEU 84 Ca 0.55 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 2jon s LEU 84 Cb -0.02 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 43.06 2jon s LEU 84 CO 0.38 -1.98 1.13 0.28 0.23 0.00 0.00 176.35 176.39 2jon s THR 85 N 7.97 2.60 0.00 5.49 -1.32 -0.13 -4.81 115.64 125.44 2jon s THR 85 Ca 0.81 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 2jon s THR 85 Cb -0.21 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 2jon s THR 85 CO 0.30 -0.25 0.00 0.59 -2.21 0.00 0.00 174.62 173.05 2jon n ASN 86 N -3.35 -1.13 -3.95 8.08 3.02 -1.26 -3.80 115.26 112.87 2jon n ASN 86 Ca 0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 2jon n ASN 86 Cb 0.59 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.37 0.00 -1.49 3.41 5.66 -1.26 -4.48 114.28 113.75 2jon n THR 87 Ca 0.00 -0.08 -0.45 0.00 -3.05 0.00 0.00 64.05 60.47 2jon n THR 87 Cb 0.00 -0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 68.48 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 1.31 1.96 0.25 1.09 2.85 -1.26 -4.79 115.26 116.66 2jon n ASN 88 Ca 0.00 0.14 0.13 0.00 -0.11 0.00 0.00 54.58 54.73 2jon n ASN 88 Cb 0.52 -1.31 0.58 0.00 1.24 0.00 0.00 39.78 40.81 2jon n ASN 88 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2jon h PRO 89 N 14.27 0.00 -5.79 1.20 0.13 -1.96 -3.44 132.00 136.42 2jon h PRO 89 Ca -0.24 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.29 2jon h PRO 89 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2jon h PRO 89 CO 1.11 0.15 1.51 0.45 -0.23 0.00 0.00 178.00 180.99 2jon n SER 90 N -3.35 2.02 0.12 1.44 2.88 -1.26 -4.78 113.62 110.68 2jon n SER 90 Ca -0.00 0.18 0.13 0.00 -1.33 0.00 0.00 58.87 57.85 2jon n SER 90 Cb 0.36 -1.30 0.38 0.00 -0.75 0.00 0.00 64.21 62.89 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 13.97 0.00 0.00 0.66 -0.00 -1.85 -3.49 116.97 126.26 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 1.29 -0.39 0.30 0.10 0.00 -1.26 -4.97 105.19 100.26 2jon n GLY 92 Ca 0.05 0.31 0.19 0.00 0.00 0.00 0.00 46.02 46.58 2jon n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon n ALA 93 N 0.00 0.64 -2.37 4.61 0.00 -1.26 -3.70 120.51 118.43 2jon n ALA 93 Ca 0.00 0.94 -0.41 0.00 0.00 0.00 0.00 53.44 53.97 2jon n ALA 93 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2jon n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon s ASN 95 N 4.98 6.29 0.13 0.00 3.84 -1.24 -3.89 114.94 125.04 2jon s ASN 95 Ca 0.49 0.33 -0.10 0.00 0.21 0.00 0.00 52.86 53.79 2jon s ASN 95 Cb -0.10 -2.09 -0.06 0.00 -0.55 0.00 0.00 41.25 38.45 2jon s ASN 95 CO 0.20 0.27 0.46 -0.36 -2.79 0.00 0.00 177.10 174.88 2jon s PHE 96 N -0.17 3.55 -0.16 0.43 0.40 -1.26 -5.01 117.98 115.76 2jon s PHE 96 Ca 0.11 0.85 -0.29 0.00 -0.60 0.00 0.00 56.93 57.00 2jon s PHE 96 Cb -0.11 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 2jon s PHE 96 CO 0.01 0.44 1.57 -1.25 0.70 0.00 0.00 175.22 176.69 2jon s PRO 97 N -2.17 3.97 0.00 0.24 0.04 -1.26 -4.87 135.00 130.95 2jon s PRO 97 Ca 0.38 1.81 0.21 0.00 0.04 0.00 0.00 61.00 63.44 2jon s PRO 97 Cb -0.13 -3.98 0.12 0.00 0.04 0.00 0.00 34.50 30.54 2jon s PRO 97 CO 0.20 -1.08 1.11 -1.13 0.04 0.00 0.00 177.00 176.14 2jon n SER 98 N 7.80 2.49 0.00 6.66 3.41 -1.26 -4.00 113.62 128.71 2jon n SER 98 Ca 0.18 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2jon n SER 98 Cb 0.44 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.21 1.09 3.68 5.00 0.00 -1.26 -4.84 105.19 110.06 2jon n GLY 99 Ca 0.11 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 7.11 0.00 1.61 0.15 -1.26 -4.80 113.70 112.51 2jon s SER 100 Ca 0.00 1.66 0.25 0.00 0.70 0.00 0.00 55.95 58.56 2jon s SER 100 Cb 0.00 -2.55 0.45 0.00 -1.71 0.00 0.00 66.02 62.21 2jon s SER 100 CO 0.00 -0.57 1.41 0.59 1.20 0.00 0.00 173.24 175.87