#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 -1.23 0.00 -4.23 -1.26 -4.99 115.64 109.17 2jon s THR 2 Ca 0.00 -0.57 0.14 0.00 -1.18 0.00 0.00 61.69 60.08 2jon s THR 2 Cb 0.00 -3.61 0.19 0.00 1.34 0.00 0.00 72.50 70.42 2jon s THR 2 CO 0.00 0.04 1.43 -0.81 -0.54 0.00 0.00 174.62 174.74 2jon n PRO 3 N -0.04 0.11 -2.70 3.99 -0.04 -1.26 -4.77 135.00 130.30 2jon n PRO 3 Ca -0.06 0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 2jon n PRO 3 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.77 4.60 0.10 0.52 -4.23 -1.26 -5.02 115.64 107.59 2jon s THR 4 Ca 0.11 1.05 -0.31 0.00 -1.18 0.00 0.00 61.69 61.36 2jon s THR 4 Cb 0.10 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 2jon s THR 4 CO 0.24 -0.51 1.37 -2.16 -0.54 0.00 0.00 174.62 173.01 2jon s PRO 5 N -3.72 4.33 0.65 3.99 0.04 -1.26 -4.98 135.00 134.05 2jon s PRO 5 Ca 0.57 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.47 2jon s PRO 5 Cb -0.10 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2jon s PRO 5 CO 0.27 -0.43 0.69 0.25 0.04 0.00 0.00 177.00 177.82 2jon n THR 6 N 3.99 2.55 -0.29 1.26 -2.24 -1.26 -5.00 114.28 113.29 2jon n THR 6 Ca 0.11 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2jon n THR 6 Cb 0.43 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 2jon n THR 6 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jon n PRO 7 N -0.75 -0.21 -3.72 -0.78 -0.04 -1.26 -5.01 135.00 123.22 2jon n PRO 7 Ca 0.12 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 2jon n PRO 7 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.79 2.66 0.24 0.54 1.02 -1.26 -5.06 119.74 116.08 2jon s LYS 8 Ca 0.00 -1.16 -0.22 0.00 0.02 0.00 0.00 55.97 54.61 2jon s LYS 8 Cb 0.00 -3.51 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2jon s LYS 8 CO 0.00 -0.67 0.72 0.00 -0.92 0.00 0.00 175.35 174.47 2jon s ALA 9 N 1.43 -1.35 1.16 5.17 0.00 -1.26 -5.17 121.76 121.73 2jon s ALA 9 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 2jon s ALA 9 Cb -0.19 0.83 0.27 0.00 0.00 0.00 0.00 23.12 24.03 2jon s ALA 9 CO 0.04 -0.97 1.04 0.00 0.00 0.00 0.00 175.76 175.86 2jon s ALA 10 N -3.81 -0.13 1.00 0.00 0.00 -1.26 -5.03 121.76 112.52 2jon s ALA 10 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2jon s ALA 10 Cb -0.04 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2jon s ALA 10 CO 0.02 -3.68 0.00 0.41 0.00 0.00 0.00 175.76 172.51 2jon n GLY 11 N 0.23 -2.61 3.29 0.00 0.00 -1.26 -4.97 105.19 99.87 2jon n GLY 11 Ca 0.05 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.69 -0.41 -0.11 1.61 0.01 -1.26 -4.59 113.70 107.27 2jon s SER 12 Ca 0.00 0.77 -0.03 0.00 1.31 0.00 0.00 55.95 58.00 2jon s SER 12 Cb 0.00 0.79 0.04 0.00 0.21 0.00 0.00 66.02 67.06 2jon s SER 12 CO 0.00 -0.16 0.04 0.26 0.41 0.00 0.00 173.24 173.79 2jon s TRP 13 N 0.11 0.47 -0.65 2.43 0.51 -1.25 -4.58 118.94 115.99 2jon s TRP 13 Ca -0.01 -0.22 -0.25 0.00 -2.12 0.00 0.00 56.10 53.50 2jon s TRP 13 Cb -0.03 -0.74 0.05 0.00 -0.81 0.00 0.00 33.47 31.94 2jon s TRP 13 CO 0.01 -0.39 1.09 0.00 -0.51 0.00 0.00 176.95 177.15 2jon s VAL 15 N 4.71 0.05 0.00 0.00 -7.23 -0.48 -4.80 120.40 112.65 2jon s VAL 15 Ca 0.31 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 2jon s VAL 15 Cb -0.12 -0.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.94 2jon s VAL 15 CO 0.16 -0.22 1.44 -2.16 -0.31 0.00 0.00 175.10 174.01 2jon s PRO 16 N -1.80 4.26 -0.18 4.82 0.04 -1.26 -3.44 135.00 137.44 2jon s PRO 16 Ca -0.10 2.02 -0.37 0.00 0.04 0.00 0.00 61.00 62.59 2jon s PRO 16 Cb -0.02 -3.61 -0.13 0.00 0.04 0.00 0.00 34.50 30.77 2jon s PRO 16 CO 0.02 -0.62 1.84 1.63 0.04 0.00 0.00 177.00 179.92 2jon n LYS 17 N 5.55 1.71 -2.07 4.56 4.76 -1.24 -4.81 118.16 126.62 2jon n LYS 17 Ca 0.14 0.62 -0.28 0.00 -2.87 0.00 0.00 58.31 55.92 2jon n LYS 17 Cb 0.43 -2.42 -0.06 0.00 -1.84 0.00 0.00 35.03 31.14 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jon s PRO 18 N 3.99 2.50 0.00 1.97 0.04 -1.26 -2.74 135.00 139.50 2jon s PRO 18 Ca 0.96 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2jon s PRO 18 Cb -0.86 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 28.45 2jon s PRO 18 CO 0.58 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 174.08 2jon n GLY 19 N 5.85 0.15 3.34 0.56 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 -1.82 1.61 0.31 -1.11 -4.83 118.33 112.49 2jon n VAL 20 Ca 0.00 -0.30 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 2jon n VAL 20 Cb 0.00 -0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 2jon n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jon s SER 21 N -2.57 6.13 0.29 4.52 0.15 -1.26 -4.86 113.70 116.11 2jon s SER 21 Ca 0.66 2.06 -0.02 0.00 0.70 0.00 0.00 55.95 59.35 2jon s SER 21 Cb -0.19 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.22 2jon s SER 21 CO 0.62 -1.39 1.57 0.44 1.20 0.00 0.00 173.24 175.68 2jon h ASP 22 N 11.95 -0.62 -0.57 5.45 3.32 -1.99 1.60 116.42 135.56 2jon h ASP 22 Ca -0.41 0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.98 2jon h ASP 22 Cb 1.21 0.52 -0.03 0.00 0.22 0.00 0.00 39.33 41.24 2jon h ASP 22 CO 0.97 -0.33 0.38 0.44 -1.72 0.00 0.00 179.24 178.97 2jon h ASP 23 N 0.01 0.47 -0.17 6.45 5.19 -1.99 0.31 116.42 126.69 2jon h ASP 23 Ca 0.54 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.90 2jon h ASP 23 Cb 1.02 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.43 2jon h ASP 23 CO -0.94 0.31 -0.12 1.56 -3.12 0.00 0.00 179.24 176.93 2jon h GLN 24 N 0.53 0.38 0.32 3.56 1.08 0.19 -2.93 115.11 118.25 2jon h GLN 24 Ca 0.25 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2jon h GLN 24 Cb 0.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2jon h GLN 24 CO -0.07 0.72 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.30 2jon h LEU 25 N 0.04 -0.37 -0.97 1.46 -0.00 -0.66 -3.25 115.31 111.55 2jon h LEU 25 Ca 0.03 -0.17 0.29 0.00 -0.00 0.00 0.00 57.88 58.04 2jon h LEU 25 Cb 0.63 0.10 -0.18 0.00 -0.00 0.00 0.00 40.66 41.20 2jon h LEU 25 CO 0.03 0.08 0.14 0.00 -0.00 0.00 0.00 178.44 178.69 2jon h THR 26 N -0.95 0.06 -1.18 0.22 1.03 -0.51 0.39 112.91 111.96 2jon h THR 26 Ca -0.04 -0.01 0.44 0.00 -0.01 0.00 0.00 66.41 66.79 2jon h THR 26 Cb 0.51 0.02 -0.15 0.00 -1.07 0.00 0.00 68.15 67.46 2jon h THR 26 CO 0.07 0.01 0.72 0.61 -0.01 0.00 0.00 175.52 176.92 2jon n GLY 27 N -1.44 -0.78 0.10 2.99 0.00 -1.10 -1.19 105.19 103.76 2jon n GLY 27 Ca 0.25 0.76 -0.04 0.00 0.00 0.00 0.00 46.02 47.00 2jon n GLY 27 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jon h ASN 28 N 0.00 -0.25 -0.77 1.61 2.35 -0.39 -2.66 115.58 115.47 2jon h ASN 28 Ca 0.85 0.02 0.24 0.00 -0.55 0.00 0.00 56.30 56.85 2jon h ASN 28 Cb 2.52 0.08 -0.14 0.00 0.05 0.00 0.00 38.32 40.83 2jon h ASN 28 CO -0.58 -0.13 0.13 -0.38 -1.65 0.00 0.00 177.43 174.81 2jon n ILE 29 N -2.83 -0.32 -0.06 2.81 5.41 -0.33 0.16 119.36 124.20 2jon n ILE 29 Ca -0.02 1.65 -0.07 0.00 1.00 0.00 0.00 62.75 65.30 2jon n ILE 29 Cb 0.09 -2.48 -0.01 0.00 -0.71 0.00 0.00 39.64 36.53 2jon n ILE 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2jon h ASN 30 N 0.00 -0.08 0.13 4.38 2.35 -1.39 0.48 115.58 121.43 2jon h ASN 30 Ca 0.52 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.32 2jon h ASN 30 Cb 1.17 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2jon h ASN 30 CO -0.68 -0.01 -0.06 0.22 -1.65 0.00 0.00 177.43 175.25 2jon h TYR 31 N 0.09 -0.16 -0.99 1.19 3.20 0.19 -3.30 116.97 117.20 2jon h TYR 31 Ca 0.12 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.16 2jon h TYR 31 Cb 0.16 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2jon h TYR 31 CO -0.20 0.31 0.60 0.00 -1.64 0.00 0.00 178.16 177.23 2jon h ALA 32 N -0.33 1.60 0.00 1.82 0.00 -0.30 0.41 119.26 122.46 2jon h ALA 32 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jon h ALA 32 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jon h ALA 32 CO 0.03 -0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.36 2jon n SER 34 N -1.43 3.46 -0.11 0.00 7.64 0.15 -4.30 113.62 119.03 2jon n SER 34 Ca -0.00 -2.84 -0.23 0.00 1.01 0.00 0.00 58.87 56.81 2jon n SER 34 Cb 0.08 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.48 0.57 0.00 1.43 1.13 0.19 -5.09 117.38 115.12 2jon n GLN 35 Ca 0.18 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 2jon n GLN 35 Cb 0.76 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 1.38 -1.13 0.47 1.08 0.00 -1.25 -4.92 105.19 100.81 2jon n GLY 36 Ca -0.38 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.16 -0.05 -0.61 -5.35 -1.26 -3.95 119.36 108.29 2jon n ILE 37 Ca 0.00 -0.09 -0.02 0.00 -0.27 0.00 0.00 62.75 62.37 2jon n ILE 37 Cb 0.00 -0.35 -0.01 0.00 -1.74 0.00 0.00 39.64 37.54 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 0.28 0.00 -2.98 7.28 5.19 -1.90 -3.41 116.42 120.88 2jon h ASP 38 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 2jon h ASP 38 Cb 0.46 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 2jon h ASP 38 CO 0.03 0.55 0.82 0.00 -3.12 0.00 0.00 179.24 177.52 2jon n GLY 40 N 3.52 2.40 0.00 0.00 0.00 -1.26 -4.85 105.19 104.99 2jon n GLY 40 Ca 0.13 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.18 1.61 -0.04 -1.25 -3.02 135.00 132.60 2jon n PRO 41 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2jon n PRO 41 Cb 0.00 -1.40 0.09 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.90 0.55 -2.99 0.52 -5.35 -1.25 -4.73 119.36 105.21 2jon n ILE 42 Ca 0.09 -0.30 -0.40 0.00 -0.27 0.00 0.00 62.75 61.87 2jon n ILE 42 Cb 0.04 -0.34 -0.05 0.00 -1.74 0.00 0.00 39.64 37.56 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 -1.48 4.38 0.69 6.28 -1.52 -1.17 -4.71 119.66 122.13 2jon s GLN 43 Ca 0.12 0.92 -0.14 0.00 -1.95 0.00 0.00 55.36 54.32 2jon s GLN 43 Cb 0.09 -3.50 0.02 0.00 -0.22 0.00 0.00 33.01 29.39 2jon s GLN 43 CO 0.04 -0.10 1.10 -1.25 -0.25 0.00 0.00 175.29 174.84 2jon s PRO 44 N 1.35 2.64 -0.20 2.91 0.04 -1.26 -5.01 135.00 135.47 2jon s PRO 44 Ca 0.38 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 2jon s PRO 44 Cb -0.17 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 2jon s PRO 44 CO 0.16 -1.37 -0.24 0.41 0.04 0.00 0.00 177.00 176.01 2jon n GLY 45 N -0.72 -0.31 0.00 0.56 0.00 -1.26 -5.04 105.19 98.43 2jon n GLY 45 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.98 -0.77 0.01 -0.02 0.00 -1.26 -5.04 105.19 100.09 2jon n GLY 46 Ca -0.38 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 -0.08 4.61 0.00 -1.96 -3.42 119.26 118.38 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 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jon h ALA 47 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2jon h PHE 49 N 0.45 -1.35 -3.34 0.00 3.57 -1.97 -3.41 116.94 110.89 2jon h PHE 49 Ca 0.00 0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.91 2jon h PHE 49 Cb 0.55 0.51 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 2jon h PHE 49 CO 0.05 -0.69 -0.34 -1.21 -2.23 0.00 0.00 178.31 173.89 2jon s GLU 50 N -5.81 4.22 0.43 1.11 2.02 -1.26 -0.34 118.70 119.07 2jon s GLU 50 Ca -0.18 0.04 -0.24 0.00 0.02 0.00 0.00 54.97 54.61 2jon s GLU 50 Cb 0.04 -3.45 -0.08 0.00 0.10 0.00 0.00 34.13 30.74 2jon s GLU 50 CO 0.59 0.19 1.18 -1.25 0.02 0.00 0.00 175.26 175.98 2jon s PRO 51 N 0.63 3.91 0.11 0.39 0.04 -1.26 -5.02 135.00 133.80 2jon s PRO 51 Ca 0.15 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2jon s PRO 51 Cb -0.13 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2jon s PRO 51 CO 0.04 -0.44 0.06 0.54 0.04 0.00 0.00 177.00 177.23 2jon s ASN 52 N -1.22 5.27 0.44 6.66 2.20 0.54 -5.05 114.94 123.79 2jon s ASN 52 Ca 0.60 -0.14 0.08 0.00 -0.94 0.00 0.00 52.86 52.46 2jon s ASN 52 Cb -0.30 -1.33 0.02 0.00 -2.00 0.00 0.00 41.25 37.64 2jon s ASN 52 CO 0.37 0.14 0.60 0.42 -2.94 0.00 0.00 177.10 175.69 2jon s THR 53 N -1.49 2.91 0.01 0.54 -4.23 -1.26 -5.02 115.64 107.09 2jon s THR 53 Ca 0.28 -1.00 -0.20 0.00 -1.18 0.00 0.00 61.69 59.59 2jon s THR 53 Cb -0.11 -2.91 -0.11 0.00 1.34 0.00 0.00 72.50 70.70 2jon s THR 53 CO 0.21 0.00 1.04 0.58 -0.54 0.00 0.00 174.62 175.90 2jon h VAL 54 N 0.59 0.00 -0.05 2.29 2.07 -2.00 -3.04 116.25 116.10 2jon h VAL 54 Ca -0.39 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2jon h VAL 54 Cb 1.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2jon h VAL 54 CO 0.45 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.33 2jon n LYS 55 N -4.54 1.31 -0.33 1.57 0.00 -1.26 -4.22 118.16 110.69 2jon n LYS 55 Ca -0.09 -0.27 0.13 0.00 -0.00 0.00 0.00 58.31 58.07 2jon n LYS 55 Cb 0.29 -1.47 0.32 0.00 -0.00 0.00 0.00 35.03 34.17 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 1.59 -0.16 0.58 0.00 -1.93 -1.14 119.26 120.56 2jon h ALA 56 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jon h ALA 56 Cb 0.53 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2jon h ALA 56 CO 0.04 -0.15 -0.20 0.45 0.00 0.00 0.00 179.25 179.38 2jon h HIS 57 N 0.64 -0.53 -0.87 0.00 3.86 -1.83 -1.02 115.15 115.40 2jon h HIS 57 Ca 0.57 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.87 2jon h HIS 57 Cb 0.96 0.26 -0.06 0.00 1.06 0.00 0.00 27.41 29.63 2jon h HIS 57 CO -0.04 -0.28 0.57 0.00 0.86 0.00 0.00 177.93 179.03 2jon h ALA 58 N 0.79 1.55 -0.84 2.45 0.00 -1.56 -1.65 119.26 120.00 2jon h ALA 58 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jon h ALA 58 Cb 0.40 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2jon h ALA 58 CO -0.30 0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.65 2jon h ALA 59 N 1.53 1.08 0.46 0.00 0.00 -0.79 0.05 119.26 121.59 2jon h ALA 59 Ca 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jon h ALA 59 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jon h ALA 59 CO -0.14 0.67 -0.22 -0.92 0.00 0.00 0.00 179.25 178.64 2jon h TYR 60 N 1.20 -0.57 -0.73 0.00 5.03 -0.28 -3.06 116.97 118.56 2jon h TYR 60 Ca 0.29 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.71 2jon h TYR 60 Cb 0.15 0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 2jon h TYR 60 CO 0.02 -0.36 0.48 -0.24 -1.32 0.00 0.00 178.16 176.74 2jon h VAL 61 N -0.66 0.85 -1.04 1.81 3.04 -1.50 -0.97 116.25 117.79 2jon h VAL 61 Ca -0.06 -0.17 0.30 0.00 -1.01 0.00 0.00 66.70 65.76 2jon h VAL 61 Cb 0.48 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 2jon h VAL 61 CO 0.10 0.09 0.98 0.24 -1.01 0.00 0.00 177.57 177.98 2jon h MET 62 N 0.49 0.00 0.60 4.17 2.86 -0.87 0.37 114.93 122.55 2jon h MET 62 Ca 0.35 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 2jon h MET 62 Cb 0.68 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jon h MET 62 CO -0.12 0.00 -0.29 -0.97 1.06 0.00 0.00 176.91 176.59 2jon h ASN 63 N 0.00 -0.68 0.10 1.22 -1.24 -1.24 -2.29 115.58 111.44 2jon h ASN 63 Ca 0.49 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.52 2jon h ASN 63 Cb 2.45 0.18 0.00 0.00 0.73 0.00 0.00 38.32 41.68 2jon h ASN 63 CO -0.01 -0.32 -0.05 0.17 -1.29 0.00 0.00 177.43 175.94 2jon h LEU 64 N -1.14 -0.11 -0.85 0.34 -0.00 -1.17 -3.22 115.31 109.14 2jon h LEU 64 Ca -0.08 -0.44 0.22 0.00 -0.00 0.00 0.00 57.88 57.57 2jon h LEU 64 Cb 0.62 0.03 -0.13 0.00 -0.00 0.00 0.00 40.66 41.18 2jon h LEU 64 CO 0.14 0.43 0.24 0.22 -0.00 0.00 0.00 178.44 179.46 2jon h TYR 65 N -0.71 0.36 -0.09 0.17 5.03 -0.52 1.04 116.97 122.25 2jon h TYR 65 Ca -0.01 0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.37 2jon h TYR 65 Cb 0.55 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 2jon h TYR 65 CO 0.10 -0.17 0.07 -0.92 -1.32 0.00 0.00 178.16 175.92 2jon h TYR 66 N 0.24 0.00 -0.02 -3.82 5.03 -1.44 0.25 116.97 117.21 2jon h TYR 66 Ca 0.53 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.84 2jon h TYR 66 Cb 1.02 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.30 2jon h TYR 66 CO -0.25 0.00 -0.47 1.04 -1.32 0.00 0.00 178.16 177.16 2jon n GLN 67 N -4.28 1.20 -0.07 1.82 6.02 0.32 -1.52 117.38 120.87 2jon n GLN 67 Ca -0.01 -0.98 -0.15 0.00 -0.01 0.00 0.00 57.00 55.85 2jon n GLN 67 Cb 0.18 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 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 2.40 0.93 0.16 1.08 -0.00 0.19 -3.35 115.15 116.55 2jon h HIS 68 Ca 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 60.37 60.03 2jon h HIS 68 Cb 0.75 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 2jon h HIS 68 CO 0.00 1.12 -0.08 0.00 -0.00 0.00 0.00 177.93 178.97 2jon h ALA 69 N 0.64 -0.21 0.00 5.26 0.00 -1.74 -3.46 119.26 119.75 2jon h ALA 69 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jon h ALA 69 Cb 1.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2jon h ALA 69 CO 0.10 -0.22 -0.02 0.41 0.00 0.00 0.00 179.25 179.53 2jon n GLY 70 N 1.11 0.02 3.91 0.00 0.00 -1.26 -4.99 105.19 103.98 2jon n GLY 70 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.82 -4.17 1.61 1.74 -0.57 -4.97 116.66 105.47 2jon n ARG 71 Ca -0.02 0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 57.37 2jon n ARG 71 Cb 0.17 -5.25 -0.08 0.00 -1.02 0.00 0.00 32.46 26.29 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 -3.70 4.38 0.46 0.55 0.01 -1.23 -4.97 114.94 110.44 2jon s ASN 72 Ca 0.43 -1.10 0.25 0.00 -0.71 0.00 0.00 52.86 51.73 2jon s ASN 72 Cb -0.22 -0.48 0.96 0.00 0.41 0.00 0.00 41.25 41.92 2jon s ASN 72 CO 0.85 -0.53 1.84 0.77 -1.51 0.00 0.00 177.10 178.51 2jon h SER 73 N 1.46 0.00 -0.00 -1.22 4.64 -1.93 -2.49 113.55 114.01 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jon h SER 73 CO 0.71 0.19 0.00 -2.67 -0.87 0.00 0.00 176.83 174.19 2jon n TRP 74 N -3.33 0.00 0.20 4.77 2.14 -1.26 -3.32 117.44 116.63 2jon n TRP 74 Ca 0.00 -0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.65 2jon n TRP 74 Cb 0.42 0.00 0.34 0.00 -0.81 0.00 0.00 31.31 31.26 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 0.01 0.00 -2.70 -0.67 -1.24 -1.75 -3.41 115.58 105.82 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 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.96 2jon h ASN 75 CO 0.00 0.30 0.87 0.00 -1.29 0.00 0.00 177.43 177.30 2jon n ASP 77 N 8.58 2.29 0.10 0.00 8.00 -1.26 -4.80 116.55 129.46 2jon n ASP 77 Ca 0.02 -2.20 -0.04 0.00 0.71 0.00 0.00 54.79 53.29 2jon n ASP 77 Cb 0.48 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.42 -0.25 -2.31 1.24 -1.00 -1.86 -3.49 116.94 109.68 2jon h PHE 78 Ca 0.00 -0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.01 2jon h PHE 78 Cb 0.65 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.24 2jon h PHE 78 CO 0.06 -0.15 0.70 0.45 -1.61 0.00 0.00 178.31 177.76 2jon s SER 79 N -2.44 -0.01 0.00 2.17 0.15 -1.26 -4.78 113.70 107.52 2jon s SER 79 Ca -0.04 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.24 2jon s SER 79 Cb 0.00 0.36 0.53 0.00 -1.71 0.00 0.00 66.02 65.20 2jon s SER 79 CO 0.12 -0.71 1.06 1.67 1.20 0.00 0.00 173.24 176.58 2jon n GLN 80 N -0.74 0.24 -0.11 5.44 -0.06 -1.26 -2.55 117.38 118.34 2jon n GLN 80 Ca -0.01 0.06 -0.23 0.00 -2.00 0.00 0.00 57.00 54.82 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.16 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2jon n THR 81 N -1.09 1.53 -2.64 1.69 -2.24 -1.26 -4.78 114.28 105.49 2jon n THR 81 Ca 0.06 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2jon n THR 81 Cb 0.04 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 66.23 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 -2.39 2.91 0.34 6.98 0.00 -1.06 -3.66 121.76 124.89 2jon s ALA 82 Ca -0.31 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 2jon s ALA 82 Cb 0.08 -4.08 -0.00 0.00 0.00 0.00 0.00 23.12 19.11 2jon s ALA 82 CO 0.57 -2.96 0.46 -0.08 0.00 0.00 0.00 175.76 173.75 2jon s THR 83 N 5.07 0.00 0.01 0.00 -1.32 -1.22 -4.52 115.64 113.66 2jon s THR 83 Ca 0.34 -1.63 -0.30 0.00 -1.21 0.00 0.00 61.69 58.89 2jon s THR 83 Cb -0.10 -2.63 -0.07 0.00 -1.51 0.00 0.00 72.50 68.19 2jon s THR 83 CO 0.17 0.00 1.64 -0.76 -2.21 0.00 0.00 174.62 173.45 2jon s LEU 84 N -3.25 4.35 0.39 9.08 1.43 -1.26 -1.38 118.68 128.04 2jon s LEU 84 Ca 0.31 2.35 0.07 0.00 -1.03 0.00 0.00 54.13 55.83 2jon s LEU 84 Cb -0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2jon s LEU 84 CO 0.21 -0.89 0.54 0.28 0.23 0.00 0.00 176.35 176.72 2jon s THR 85 N 3.23 3.42 0.00 5.49 -1.32 0.11 -4.89 115.64 121.69 2jon s THR 85 Ca 0.73 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2jon s THR 85 Cb -0.36 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.46 2jon s THR 85 CO 0.31 -0.07 0.00 -0.46 -2.21 0.00 0.00 174.62 172.19 2jon n ASN 86 N -1.79 -1.29 -3.99 8.08 6.94 -1.26 -3.75 115.26 118.19 2jon n ASN 86 Ca 0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.31 2jon n ASN 86 Cb 0.59 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.09 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2jon n THR 87 N -2.64 0.00 -1.48 5.53 5.66 -1.26 -4.46 114.28 115.63 2jon n THR 87 Ca 0.00 -0.08 -0.46 0.00 -3.05 0.00 0.00 64.05 60.45 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 1.44 2.02 0.00 1.09 4.05 -1.26 -4.77 115.26 117.83 2jon n ASN 88 Ca -0.00 0.19 0.08 0.00 0.45 0.00 0.00 54.58 55.30 2jon n ASN 88 Cb 0.57 -1.30 0.43 0.00 1.23 0.00 0.00 39.78 40.71 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 0.37 -1.47 1.20 -0.04 -1.26 -4.79 135.00 137.45 2jon n PRO 89 Ca 0.43 0.06 -0.48 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.12 2.17 0.11 3.54 2.88 -1.26 -4.79 113.62 115.15 2jon n SER 90 Ca 0.10 0.31 0.13 0.00 -1.33 0.00 0.00 58.87 58.07 2jon n SER 90 Cb 0.08 -1.30 0.34 0.00 -0.75 0.00 0.00 64.21 62.58 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 13.19 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 125.46 2jon h TYR 91 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 2jon h TYR 91 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 2jon h TYR 91 CO 0.96 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.53 2jon n GLY 92 N 1.30 -0.47 0.32 0.10 0.00 -1.26 -4.98 105.19 100.20 2jon n GLY 92 Ca 0.05 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.63 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 1.20 -1.48 4.61 0.00 -2.02 -3.39 119.26 118.19 2jon h ALA 93 Ca 0.00 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 2jon h ALA 93 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 2jon h ALA 93 CO 0.00 0.57 1.14 0.00 0.00 0.00 0.00 179.25 180.96 2jon s ASN 95 N 4.91 6.41 0.22 0.00 3.84 -1.26 -3.86 114.94 125.20 2jon s ASN 95 Ca 0.48 0.45 -0.08 0.00 0.21 0.00 0.00 52.86 53.93 2jon s ASN 95 Cb -0.10 -2.05 -0.06 0.00 -0.55 0.00 0.00 41.25 38.48 2jon s ASN 95 CO 0.20 0.33 0.51 -0.36 -2.79 0.00 0.00 177.10 175.00 2jon s PHE 96 N -1.17 3.44 0.01 0.43 0.40 -1.26 -5.01 117.98 114.82 2jon s PHE 96 Ca 0.21 0.76 -0.30 0.00 -0.60 0.00 0.00 56.93 57.00 2jon s PHE 96 Cb -0.13 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 2jon s PHE 96 CO 0.11 0.28 1.44 -1.25 0.70 0.00 0.00 175.22 176.51 2jon s PRO 97 N -2.92 4.27 0.00 0.24 0.04 -1.26 -4.90 135.00 130.47 2jon s PRO 97 Ca 0.45 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.66 2jon s PRO 97 Cb -0.11 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2jon s PRO 97 CO 0.24 -0.60 0.77 -1.13 0.04 0.00 0.00 177.00 176.31 2jon n SER 98 N 5.38 1.37 -1.84 6.66 3.41 -1.26 -3.96 113.62 123.38 2jon n SER 98 Ca 0.13 -1.18 -0.05 0.00 -0.26 0.00 0.00 58.87 57.51 2jon n SER 98 Cb 0.43 0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.98 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 1.14 0.21 3.60 5.00 0.00 -1.26 -4.78 105.19 109.10 2jon n GLY 99 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.34 -0.40 0.00 1.61 0.15 -1.26 -4.84 113.70 105.63 2jon s SER 100 Ca 0.04 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2jon s SER 100 Cb -0.01 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2jon s SER 100 CO 0.23 -1.01 0.00 0.59 1.20 0.00 0.00 173.24 174.25