#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 0.07 -0.30 0.00 -4.23 -1.26 -5.12 115.64 104.80 2jon s THR 2 Ca 0.00 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 59.64 2jon s THR 2 Cb 0.00 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 2jon s THR 2 CO 0.00 -0.32 1.67 -2.16 -0.54 0.00 0.00 174.62 173.27 2jon s PRO 3 N -1.15 3.54 -0.37 3.99 0.04 -1.26 -4.97 135.00 134.82 2jon s PRO 3 Ca -0.12 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 2jon s PRO 3 Cb -0.07 -4.11 0.02 0.00 0.04 0.00 0.00 34.50 30.38 2jon s PRO 3 CO 0.01 -1.61 1.11 0.95 0.04 0.00 0.00 177.00 177.51 2jon s THR 4 N 6.05 4.39 0.70 1.26 -4.23 -1.26 -5.02 115.64 117.52 2jon s THR 4 Ca 0.74 1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 62.66 2jon s THR 4 Cb -0.22 -4.46 0.02 0.00 1.34 0.00 0.00 72.50 69.18 2jon s THR 4 CO 0.32 -0.65 1.10 -2.16 -0.54 0.00 0.00 174.62 172.70 2jon s PRO 5 N 3.94 2.61 0.21 3.99 0.04 -1.26 -5.05 135.00 139.48 2jon s PRO 5 Ca 0.47 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2jon s PRO 5 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2jon s PRO 5 CO 0.21 -1.39 0.36 0.95 0.04 0.00 0.00 177.00 177.17 2jon s THR 6 N -2.53 5.26 0.49 1.26 -4.23 -1.26 -5.11 115.64 109.51 2jon s THR 6 Ca 0.65 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 2jon s THR 6 Cb -0.19 -3.79 0.12 0.00 1.34 0.00 0.00 72.50 69.98 2jon s THR 6 CO 0.47 -0.23 0.43 -0.81 -0.54 0.00 0.00 174.62 173.94 2jon n PRO 7 N -0.97 -1.87 -3.51 3.99 -0.04 -1.26 -5.00 135.00 126.34 2jon n PRO 7 Ca -0.07 -0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 62.28 2jon n PRO 7 Cb 0.55 -0.65 -0.09 0.00 -0.04 0.00 0.00 33.50 33.28 2jon n PRO 7 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jon s LYS 8 N -3.98 2.72 0.87 0.54 2.20 -1.26 -5.00 119.74 115.82 2jon s LYS 8 Ca 0.28 -1.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.26 2jon s LYS 8 Cb -0.03 -3.95 0.12 0.00 -1.51 0.00 0.00 37.83 32.46 2jon s LYS 8 CO 0.22 -1.05 1.17 0.00 -0.36 0.00 0.00 175.35 175.32 2jon s ALA 9 N 1.49 2.23 -0.01 3.13 0.00 -1.26 -4.94 121.76 122.40 2jon s ALA 9 Ca 0.04 -0.65 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 2jon s ALA 9 Cb -0.25 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2jon s ALA 9 CO 0.03 -2.02 1.92 0.00 0.00 0.00 0.00 175.76 175.69 2jon n ALA 10 N -3.56 1.29 -0.41 0.00 0.00 -1.26 -4.66 120.51 111.91 2jon n ALA 10 Ca 0.08 0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.83 2jon n ALA 10 Cb 0.60 -2.59 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 2jon n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jon n GLY 11 N 4.44 -1.73 3.20 0.00 0.00 -1.26 -3.78 105.19 106.06 2jon n GLY 11 Ca 0.21 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.35 -0.36 -0.19 1.61 0.01 -1.26 -4.55 113.70 104.60 2jon s SER 12 Ca 0.00 0.68 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 2jon s SER 12 Cb 0.00 0.65 0.06 0.00 0.21 0.00 0.00 66.02 66.94 2jon s SER 12 CO 0.00 -0.14 0.05 0.26 0.41 0.00 0.00 173.24 173.82 2jon s TRP 13 N 0.60 0.86 -0.66 2.43 0.51 -1.25 -4.70 118.94 116.74 2jon s TRP 13 Ca -0.03 -0.77 -0.27 0.00 -2.12 0.00 0.00 56.10 52.90 2jon s TRP 13 Cb -0.05 -0.97 0.02 0.00 -0.81 0.00 0.00 33.47 31.66 2jon s TRP 13 CO -0.04 -0.60 1.34 0.00 -0.51 0.00 0.00 176.95 177.15 2jon s VAL 15 N 5.96 0.03 -0.02 0.00 -7.23 0.09 -4.76 120.40 114.47 2jon s VAL 15 Ca 0.43 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 2jon s VAL 15 Cb -0.09 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2jon s VAL 15 CO 0.19 -0.13 1.47 -2.16 -0.31 0.00 0.00 175.10 174.16 2jon s PRO 16 N -1.87 4.25 -0.10 4.82 0.04 -1.26 -3.28 135.00 137.60 2jon s PRO 16 Ca -0.09 2.02 -0.36 0.00 0.04 0.00 0.00 61.00 62.61 2jon s PRO 16 Cb -0.01 -3.68 -0.14 0.00 0.04 0.00 0.00 34.50 30.71 2jon s PRO 16 CO 0.03 -0.66 1.74 1.63 0.04 0.00 0.00 177.00 179.77 2jon n LYS 17 N 5.89 1.72 -2.05 4.56 4.76 -1.23 -4.82 118.16 126.98 2jon n LYS 17 Ca 0.14 0.63 -0.27 0.00 -2.87 0.00 0.00 58.31 55.94 2jon n LYS 17 Cb 0.43 -2.39 -0.05 0.00 -1.84 0.00 0.00 35.03 31.18 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 3.12 2.54 0.00 1.97 0.04 -1.26 -2.81 135.00 138.60 2jon s PRO 18 Ca 0.92 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2jon s PRO 18 Cb -0.85 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 28.60 2jon s PRO 18 CO 0.54 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 174.49 2jon n GLY 19 N 6.65 0.04 3.71 0.56 0.00 -1.26 -5.15 105.19 109.73 2jon n GLY 19 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 2.48 -0.38 1.61 1.01 -1.12 -4.81 120.40 119.18 2jon s VAL 20 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 61.98 61.82 2jon s VAL 20 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.83 2jon s VAL 20 CO 0.00 -0.19 2.24 -1.20 0.00 0.00 0.00 175.10 175.96 2jon n SER 21 N -3.70 2.16 -0.05 3.32 7.64 -1.26 -4.83 113.62 116.89 2jon n SER 21 Ca 0.11 0.29 -0.01 0.00 1.01 0.00 0.00 58.87 60.27 2jon n SER 21 Cb 0.52 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.40 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 10.64 -0.14 -0.34 6.43 8.00 -1.26 0.21 116.55 140.09 2jon n ASP 22 Ca 0.41 0.77 0.33 0.00 0.71 0.00 0.00 54.79 57.01 2jon n ASP 22 Cb 0.27 -0.30 0.59 0.00 -0.02 0.00 0.00 41.12 41.66 2jon n ASP 22 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jon n ASP 23 N -3.09 0.31 0.06 -2.24 2.03 -1.26 0.72 116.55 113.09 2jon n ASP 23 Ca 0.00 1.56 -0.12 0.00 0.52 0.00 0.00 54.79 56.75 2jon n ASP 23 Cb 0.03 -0.76 -0.06 0.00 -0.72 0.00 0.00 41.12 39.62 2jon n ASP 23 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2jon h GLN 24 N 0.00 -0.16 -0.19 -0.67 4.15 0.21 -2.75 115.11 115.70 2jon h GLN 24 Ca 0.83 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 60.11 2jon h GLN 24 Cb 2.31 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 30.03 2jon h GLN 24 CO -0.68 -0.10 -0.53 -0.07 -1.93 0.00 0.00 178.83 175.51 2jon h LEU 25 N -0.16 0.61 -1.07 -2.39 -0.00 0.63 -2.90 115.31 110.03 2jon h LEU 25 Ca 0.03 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2jon h LEU 25 Cb 0.19 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2jon h LEU 25 CO -0.07 1.03 0.31 0.74 -0.00 0.00 0.00 178.44 180.45 2jon h THR 26 N 0.43 0.00 -0.10 0.22 2.02 -0.40 0.16 112.91 115.24 2jon h THR 26 Ca 0.01 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 2jon h THR 26 Cb 1.06 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2jon h THR 26 CO 0.10 0.00 -0.69 1.23 0.37 0.00 0.00 175.52 176.53 2jon h GLY 27 N 0.00 0.50 0.12 2.16 0.00 -1.41 -3.27 103.07 101.17 2jon h GLY 27 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2jon h GLY 27 CO 0.00 0.60 -0.09 3.43 0.00 0.00 0.00 176.54 180.49 2jon h ASN 28 N 0.32 -0.22 -0.87 0.19 2.35 -0.86 -2.47 115.58 114.01 2jon h ASN 28 Ca -0.02 0.01 0.23 0.00 -0.55 0.00 0.00 56.30 55.97 2jon h ASN 28 Cb 1.26 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 39.54 2jon h ASN 28 CO 0.12 -0.13 -0.03 -0.38 -1.65 0.00 0.00 177.43 175.36 2jon n ILE 29 N -2.73 -0.37 -0.14 2.81 5.41 -1.25 0.12 119.36 123.22 2jon n ILE 29 Ca -0.02 1.94 -0.04 0.00 1.00 0.00 0.00 62.75 65.63 2jon n ILE 29 Cb 0.08 -2.80 0.05 0.00 -0.71 0.00 0.00 39.64 36.26 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 0.01 0.20 4.38 4.21 -1.56 0.55 115.58 123.36 2jon h ASN 30 Ca 0.51 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 58.08 2jon h ASN 30 Cb 0.99 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2jon h ASN 30 CO -0.84 0.04 -0.10 0.22 -1.29 0.00 0.00 177.43 175.46 2jon h TYR 31 N 0.22 -0.25 -0.92 1.19 5.03 0.15 -3.27 116.97 119.12 2jon h TYR 31 Ca 0.22 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.72 2jon h TYR 31 Cb 0.27 0.08 -0.07 0.00 1.55 0.00 0.00 36.73 38.56 2jon h TYR 31 CO -0.21 0.11 0.60 0.00 -1.32 0.00 0.00 178.16 177.34 2jon h ALA 32 N -0.56 2.12 0.00 1.82 0.00 -0.15 0.35 119.26 122.85 2jon h ALA 32 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jon h ALA 32 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jon h ALA 32 CO 0.05 -0.42 0.11 0.00 0.00 0.00 0.00 179.25 178.98 2jon n SER 34 N -1.73 2.64 -0.09 0.00 7.64 0.12 -4.39 113.62 117.81 2jon n SER 34 Ca -0.00 -2.86 -0.17 0.00 1.01 0.00 0.00 58.87 56.85 2jon n SER 34 Cb 0.12 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 2jon n SER 34 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2jon h GLN 35 N 0.46 0.00 0.00 1.43 1.08 0.02 -3.51 115.11 114.59 2jon h GLN 35 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jon h GLN 35 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2jon h GLN 35 CO 0.05 0.72 0.00 0.41 -0.95 0.00 0.00 178.83 179.05 2jon n GLY 36 N 1.49 -1.45 0.50 3.46 0.00 -1.25 -4.92 105.19 103.02 2jon n GLY 36 Ca -0.25 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 0.23 -0.06 -0.61 -0.00 -1.26 -3.97 119.36 113.69 2jon n ILE 37 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 62.75 62.61 2jon n ILE 37 Cb 0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 39.64 39.30 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 0.40 0.00 -2.98 7.28 5.19 -1.92 -3.41 116.42 120.98 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 0.50 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 2jon h ASP 38 CO 0.04 0.58 0.82 0.00 -3.12 0.00 0.00 179.24 177.55 2jon n GLY 40 N 3.51 2.36 0.00 0.00 0.00 -1.26 -4.86 105.19 104.94 2jon n GLY 40 Ca 0.13 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.11 1.61 -0.04 -1.26 -3.18 135.00 132.51 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 -1.27 0.05 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.77 0.34 -2.90 0.52 -5.35 -1.25 -4.82 119.36 105.12 2jon n ILE 42 Ca 0.06 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.95 2jon n ILE 42 Cb 0.03 -0.36 -0.04 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 -1.37 4.34 0.65 6.28 -1.52 -1.19 -4.70 119.66 122.14 2jon s GLN 43 Ca 0.07 1.02 -0.15 0.00 -1.95 0.00 0.00 55.36 54.35 2jon s GLN 43 Cb 0.05 -3.54 -0.01 0.00 -0.22 0.00 0.00 33.01 29.29 2jon s GLN 43 CO 0.03 -0.24 1.11 -1.25 -0.25 0.00 0.00 175.29 174.69 2jon s PRO 44 N 1.84 2.85 -0.17 2.91 0.04 -1.26 -5.00 135.00 136.21 2jon s PRO 44 Ca 0.39 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2jon s PRO 44 Cb -0.17 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 2jon s PRO 44 CO 0.14 -1.22 -0.15 0.41 0.04 0.00 0.00 177.00 176.23 2jon n GLY 45 N -0.46 -0.24 0.00 0.56 0.00 -1.26 -5.04 105.19 98.75 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 2.68 1.27 0.05 -0.02 0.00 -1.26 -5.02 105.19 102.89 2jon n GLY 46 Ca -0.30 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.60 0.00 4.61 0.00 -1.96 -3.38 119.26 117.93 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 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jon h ALA 47 CO 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 179.25 178.41 2jon n PHE 49 N -1.12 0.11 -3.68 0.00 7.35 -1.26 -3.92 117.46 114.94 2jon n PHE 49 Ca 0.00 0.85 -0.36 0.00 -0.76 0.00 0.00 57.45 57.19 2jon n PHE 49 Cb 0.04 -0.81 -0.08 0.00 0.35 0.00 0.00 39.48 38.97 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 -5.74 4.15 0.53 -4.13 0.41 -1.26 -0.41 118.70 112.24 2jon s GLU 50 Ca -0.10 -0.20 -0.20 0.00 -0.41 0.00 0.00 54.97 54.06 2jon s GLU 50 Cb 0.16 -3.47 -0.06 0.00 -1.78 0.00 0.00 34.13 28.98 2jon s GLU 50 CO 0.51 0.19 1.13 -1.25 -0.49 0.00 0.00 175.26 175.36 2jon s PRO 51 N 0.66 3.41 0.13 0.39 0.04 -1.25 -5.02 135.00 133.37 2jon s PRO 51 Ca 0.09 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2jon s PRO 51 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2jon s PRO 51 CO 0.01 -0.80 0.05 0.54 0.04 0.00 0.00 177.00 176.84 2jon s ASN 52 N -1.72 5.17 0.45 6.66 2.20 0.45 -5.04 114.94 123.12 2jon s ASN 52 Ca 0.71 -0.20 0.07 0.00 -0.94 0.00 0.00 52.86 52.51 2jon s ASN 52 Cb -0.24 -1.26 0.00 0.00 -2.00 0.00 0.00 41.25 37.75 2jon s ASN 52 CO 0.28 0.12 0.42 0.42 -2.94 0.00 0.00 177.10 175.40 2jon s THR 53 N -1.57 2.43 0.01 0.54 -4.23 -1.26 -5.04 115.64 106.52 2jon s THR 53 Ca 0.28 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 2jon s THR 53 Cb -0.11 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.89 2jon s THR 53 CO 0.20 0.00 0.91 0.58 -0.54 0.00 0.00 174.62 175.78 2jon h VAL 54 N 0.89 0.00 -0.01 2.29 2.07 -2.00 -3.09 116.25 116.40 2jon h VAL 54 Ca -0.39 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.95 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 0.56 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.44 2jon n LYS 55 N -3.95 1.04 -0.33 1.57 0.00 -1.26 -4.17 118.16 111.06 2jon n LYS 55 Ca -0.07 -0.04 0.15 0.00 -0.00 0.00 0.00 58.31 58.36 2jon n LYS 55 Cb 0.21 -1.41 0.37 0.00 -0.00 0.00 0.00 35.03 34.21 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 2.22 1.82 -0.10 0.58 0.00 -1.94 -1.25 119.26 120.58 2jon h ALA 56 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jon h ALA 56 Cb 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jon h ALA 56 CO 0.00 -0.19 -0.20 0.45 0.00 0.00 0.00 179.25 179.32 2jon h HIS 57 N 0.66 -0.51 -0.83 0.00 3.86 -1.83 -1.46 115.15 115.05 2jon h HIS 57 Ca 0.57 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.87 2jon h HIS 57 Cb 1.02 0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.68 2jon h HIS 57 CO -0.00 -0.27 0.54 0.00 0.86 0.00 0.00 177.93 179.05 2jon h ALA 58 N 0.72 1.61 -0.54 2.45 0.00 -1.58 -1.04 119.26 120.89 2jon h ALA 58 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jon h ALA 58 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jon h ALA 58 CO -0.25 0.25 0.36 0.00 0.00 0.00 0.00 179.25 179.61 2jon h ALA 59 N 1.56 1.61 0.47 0.00 0.00 -0.92 -0.84 119.26 121.15 2jon h ALA 59 Ca 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2jon h ALA 59 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jon h ALA 59 CO -0.13 0.36 -0.23 -0.92 0.00 0.00 0.00 179.25 178.33 2jon h TYR 60 N 0.73 -0.58 -0.89 0.00 5.03 -0.63 -3.21 116.97 117.42 2jon h TYR 60 Ca 0.20 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.62 2jon h TYR 60 Cb -0.08 0.19 -0.07 0.00 1.55 0.00 0.00 36.73 38.32 2jon h TYR 60 CO 0.00 -0.28 0.57 -0.24 -1.32 0.00 0.00 178.16 176.90 2jon h VAL 61 N -1.05 0.87 -0.09 1.81 3.04 -1.37 0.31 116.25 119.77 2jon h VAL 61 Ca -0.06 -0.25 0.03 0.00 -1.01 0.00 0.00 66.70 65.40 2jon h VAL 61 Cb 0.57 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2jon h VAL 61 CO 0.11 0.14 0.56 0.24 -1.01 0.00 0.00 177.57 177.61 2jon h MET 62 N 0.74 0.00 0.39 4.17 2.86 -1.15 0.23 114.93 122.17 2jon h MET 62 Ca 0.44 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 2jon h MET 62 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2jon h MET 62 CO -0.20 0.00 -0.19 -0.97 1.06 0.00 0.00 176.91 176.61 2jon h ASN 63 N 0.00 -0.44 0.06 1.22 -1.24 -1.03 -2.71 115.58 111.43 2jon h ASN 63 Ca 0.04 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2jon h ASN 63 Cb 1.17 0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.34 2jon h ASN 63 CO -0.00 -0.16 -0.03 0.17 -1.29 0.00 0.00 177.43 176.13 2jon h LEU 64 N -0.85 -0.07 -0.73 0.34 -0.00 -1.43 -3.21 115.31 109.36 2jon h LEU 64 Ca -0.05 -0.58 0.15 0.00 -0.00 0.00 0.00 57.88 57.40 2jon h LEU 64 Cb 0.40 0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 40.94 2jon h LEU 64 CO 0.09 0.61 -0.14 0.22 -0.00 0.00 0.00 178.44 179.22 2jon h TYR 65 N -0.82 -0.32 -0.12 0.17 5.03 -0.78 1.16 116.97 121.29 2jon h TYR 65 Ca -0.01 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.40 2jon h TYR 65 Cb 0.64 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 2jon h TYR 65 CO 0.15 -0.30 0.10 -0.92 -1.32 0.00 0.00 178.16 175.87 2jon h TYR 66 N 0.02 0.00 -0.02 -3.82 5.03 -1.58 0.87 116.97 117.47 2jon h TYR 66 Ca 0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.67 2jon h TYR 66 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 2jon h TYR 66 CO -0.55 0.00 -0.21 1.04 -1.32 0.00 0.00 178.16 177.12 2jon n GLN 67 N -4.11 1.75 -0.01 1.82 6.02 0.32 -1.58 117.38 121.59 2jon n GLN 67 Ca -0.00 -1.43 -0.17 0.00 -0.01 0.00 0.00 57.00 55.38 2jon n GLN 67 Cb 0.22 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 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 3.44 0.93 0.11 1.08 2.07 0.33 -3.36 115.15 119.75 2jon h HIS 68 Ca 0.00 -0.43 -0.01 0.00 -2.85 0.00 0.00 60.37 57.08 2jon h HIS 68 Cb 0.84 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 30.68 2jon h HIS 68 CO 0.00 1.25 -0.05 0.00 -3.07 0.00 0.00 177.93 176.06 2jon h ALA 69 N 0.48 -0.15 0.00 6.11 0.00 -1.74 -3.46 119.26 120.50 2jon h ALA 69 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jon h ALA 69 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jon h ALA 69 CO 0.15 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.63 2jon n GLY 70 N 1.10 0.00 3.94 0.00 0.00 -1.26 -4.99 105.19 103.99 2jon n GLY 70 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.48 -3.83 1.61 1.74 -0.61 -4.97 116.66 106.11 2jon n ARG 71 Ca 0.00 0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 57.36 2jon n ARG 71 Cb 0.00 -5.15 -0.04 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.74 4.74 0.38 0.55 0.01 -1.23 -4.96 114.94 110.68 2jon s ASN 72 Ca 0.41 -0.99 0.20 0.00 -0.71 0.00 0.00 52.86 51.77 2jon s ASN 72 Cb -0.21 -0.26 0.60 0.00 0.41 0.00 0.00 41.25 41.79 2jon s ASN 72 CO 0.86 -0.75 1.69 0.28 -1.51 0.00 0.00 177.10 177.67 2jon h SER 73 N 1.07 0.00 0.00 -1.22 0.02 -1.93 -2.78 113.55 108.71 2jon h SER 73 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2jon h SER 73 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2jon h SER 73 CO 0.61 0.34 0.00 -2.67 -1.14 0.00 0.00 176.83 173.97 2jon n TRP 74 N -3.38 0.00 0.21 3.45 2.14 -1.26 -3.30 117.44 115.31 2jon n TRP 74 Ca 0.01 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 2jon n TRP 74 Cb 0.54 0.00 0.37 0.00 -0.81 0.00 0.00 31.31 31.41 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 -2.69 -0.67 -1.24 -1.80 -3.41 115.58 105.77 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 38.95 2jon h ASN 75 CO 0.00 0.22 0.88 0.00 -1.29 0.00 0.00 177.43 177.25 2jon n ASP 77 N 8.62 2.21 0.06 0.00 8.00 -1.26 -4.80 116.55 129.38 2jon n ASP 77 Ca 0.03 -2.01 -0.02 0.00 0.71 0.00 0.00 54.79 53.49 2jon n ASP 77 Cb 0.48 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.44 -0.16 -2.28 1.24 -1.00 -1.86 -3.49 116.94 109.82 2jon h PHE 78 Ca 0.00 -0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.56 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.11 2jon h PHE 78 CO 0.05 -0.09 0.72 0.45 -1.61 0.00 0.00 178.31 177.83 2jon s SER 79 N -2.30 -0.01 0.00 2.17 0.15 -1.26 -4.73 113.70 107.71 2jon s SER 79 Ca -0.02 -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 0.48 0.00 -1.71 0.00 0.00 66.02 65.13 2jon s SER 79 CO 0.07 -0.66 1.05 1.67 1.20 0.00 0.00 173.24 176.56 2jon n GLN 80 N -0.75 0.21 -0.11 5.44 0.00 -1.26 -2.55 117.38 118.36 2jon n GLN 80 Ca -0.01 0.09 -0.22 0.00 -0.00 0.00 0.00 57.00 56.86 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.23 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jon n THR 81 N -1.12 1.53 -2.67 1.69 -2.24 -1.26 -4.78 114.28 105.43 2jon n THR 81 Ca 0.05 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2jon n THR 81 Cb 0.05 -2.04 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 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 -2.41 2.94 0.34 6.98 0.00 -1.06 -3.52 121.76 125.04 2jon s ALA 82 Ca -0.30 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2jon s ALA 82 Cb 0.07 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 19.15 2jon s ALA 82 CO 0.56 -2.92 0.49 -0.08 0.00 0.00 0.00 175.76 173.81 2jon s THR 83 N 4.95 0.00 -0.20 0.00 -1.32 -1.21 -4.49 115.64 113.38 2jon s THR 83 Ca 0.33 -1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 58.96 2jon s THR 83 Cb -0.10 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 2jon s THR 83 CO 0.17 0.00 1.79 -0.76 -2.21 0.00 0.00 174.62 173.60 2jon s LEU 84 N -3.22 3.83 0.57 9.08 1.43 -1.26 -0.73 118.68 128.39 2jon s LEU 84 Ca 0.29 1.75 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 2jon s LEU 84 Cb -0.01 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.71 2jon s LEU 84 CO 0.19 -1.42 0.84 0.28 0.23 0.00 0.00 176.35 176.47 2jon s THR 85 N 5.87 3.11 0.00 5.49 -1.32 0.75 -4.86 115.64 124.69 2jon s THR 85 Ca 0.80 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.91 2jon s THR 85 Cb -0.28 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 2jon s THR 85 CO 0.32 -0.19 0.00 -0.46 -2.21 0.00 0.00 174.62 172.08 2jon n ASN 86 N -2.48 -1.28 -3.98 8.08 0.23 -1.26 -3.75 115.26 110.82 2jon n ASN 86 Ca 0.06 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.81 2jon n ASN 86 Cb 0.59 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.37 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2jon n THR 87 N -2.63 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 60.46 2jon n THR 87 Cb 0.00 -0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 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 1.54 2.00 0.00 1.09 4.05 -1.25 -4.77 115.26 117.93 2jon n ASN 88 Ca -0.00 0.18 0.06 0.00 0.45 0.00 0.00 54.58 55.27 2jon n ASN 88 Cb 0.57 -1.30 0.36 0.00 1.23 0.00 0.00 39.78 40.64 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 8.45 0.49 -1.48 1.20 -0.04 -1.26 -4.79 135.00 137.56 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 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.89 2.03 0.19 3.54 2.88 -1.26 -4.78 113.62 115.32 2jon n SER 90 Ca 0.09 0.19 0.14 0.00 -1.33 0.00 0.00 58.87 57.96 2jon n SER 90 Cb 0.04 -1.31 0.51 0.00 -0.75 0.00 0.00 64.21 62.71 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 13.93 0.00 0.00 0.66 -0.00 -1.87 -3.48 116.97 126.21 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 0.33 -0.79 0.33 0.10 0.00 -1.26 -4.95 105.19 98.94 2jon n GLY 92 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.43 -1.69 4.61 0.00 -2.02 -3.37 119.26 118.22 2jon h ALA 93 Ca 0.00 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 2jon h ALA 93 Cb 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.39 2jon h ALA 93 CO 0.00 0.48 0.59 0.00 0.00 0.00 0.00 179.25 180.32 2jon s ASN 95 N 3.39 6.38 0.28 0.00 2.20 -1.26 -3.62 114.94 122.31 2jon s ASN 95 Ca 0.26 0.31 -0.05 0.00 -0.94 0.00 0.00 52.86 52.43 2jon s ASN 95 Cb -0.15 -1.97 -0.05 0.00 -2.00 0.00 0.00 41.25 37.08 2jon s ASN 95 CO 0.14 0.10 0.54 -0.36 -2.94 0.00 0.00 177.10 174.58 2jon s PHE 96 N -1.63 3.47 -0.24 1.54 0.40 -1.26 -4.98 117.98 115.28 2jon s PHE 96 Ca 0.36 0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 57.05 2jon s PHE 96 Cb -0.12 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 2jon s PHE 96 CO 0.28 0.19 1.63 -1.25 0.70 0.00 0.00 175.22 176.77 2jon s PRO 97 N -3.45 3.74 0.04 0.24 0.04 -1.26 -4.87 135.00 129.49 2jon s PRO 97 Ca 0.44 1.61 0.25 0.00 0.04 0.00 0.00 61.00 63.34 2jon s PRO 97 Cb -0.11 -4.05 0.50 0.00 0.04 0.00 0.00 34.50 30.88 2jon s PRO 97 CO 0.29 -1.36 1.41 -1.13 0.04 0.00 0.00 177.00 176.25 2jon n SER 98 N 8.65 0.53 0.00 6.66 3.41 -1.26 -4.40 113.62 127.20 2jon n SER 98 Ca 0.19 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2jon n SER 98 Cb 0.45 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 1.35 3.94 5.00 0.00 -1.26 -4.74 105.19 110.92 2jon n GLY 99 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 6.16 0.00 1.61 1.04 -1.26 -5.07 113.70 112.17 2jon s SER 100 Ca 0.00 0.48 0.29 0.00 0.48 0.00 0.00 55.95 57.20 2jon s SER 100 Cb 0.00 -1.93 1.32 0.00 0.10 0.00 0.00 66.02 65.51 2jon s SER 100 CO 0.00 -0.45 1.90 -3.20 0.98 0.00 0.00 173.24 172.46