#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 -0.03 -0.13 0.00 -4.23 -1.26 -5.13 115.64 104.87 2jon s THR 2 Ca 0.00 0.10 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 2jon s THR 2 Cb 0.00 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2jon s THR 2 CO 0.00 0.04 1.55 -2.16 -0.54 0.00 0.00 174.62 173.51 2jon s PRO 3 N 1.05 4.08 -0.04 3.99 0.04 -1.26 -5.01 135.00 137.85 2jon s PRO 3 Ca -0.07 1.91 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2jon s PRO 3 Cb -0.08 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 2jon s PRO 3 CO -0.08 -0.94 -0.06 -0.08 0.04 0.00 0.00 177.00 175.88 2jon s THR 4 N 4.23 3.72 0.98 1.26 -1.32 -1.26 -5.12 115.64 118.14 2jon s THR 4 Ca 0.68 -0.58 -0.12 0.00 -1.21 0.00 0.00 61.69 60.46 2jon s THR 4 Cb -0.28 -2.56 0.18 0.00 -1.51 0.00 0.00 72.50 68.33 2jon s THR 4 CO 0.26 0.52 1.09 -2.16 -2.21 0.00 0.00 174.62 172.12 2jon s PRO 5 N -1.04 0.55 0.01 7.08 0.04 -1.26 -5.07 135.00 135.30 2jon s PRO 5 Ca 0.14 0.57 0.08 0.00 0.04 0.00 0.00 61.00 61.84 2jon s PRO 5 Cb -0.11 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2jon s PRO 5 CO 0.04 -2.66 -0.25 -0.08 0.04 0.00 0.00 177.00 174.09 2jon s THR 6 N -2.95 1.96 0.00 1.26 -1.32 -1.26 -5.14 115.64 108.18 2jon s THR 6 Ca 0.65 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 2jon s THR 6 Cb -0.19 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2jon s THR 6 CO 0.58 0.45 0.00 -0.81 -2.21 0.00 0.00 174.62 172.63 2jon n PRO 7 N 2.19 0.25 -4.41 7.08 -0.04 -1.26 -5.04 135.00 133.77 2jon n PRO 7 Ca -0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 2jon n PRO 7 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 2jon n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jon s LYS 8 N -1.11 3.59 0.64 0.54 0.00 -1.26 -5.11 119.74 117.04 2jon s LYS 8 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 55.97 55.33 2jon s LYS 8 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 37.83 34.92 2jon s LYS 8 CO 0.00 0.29 1.05 0.00 0.00 0.00 0.00 175.35 176.69 2jon s ALA 9 N 0.23 2.83 -0.01 0.59 0.00 -1.26 -5.08 121.76 119.06 2jon s ALA 9 Ca -0.02 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 2jon s ALA 9 Cb -0.14 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 19.91 2jon s ALA 9 CO 0.03 -0.94 0.75 0.00 0.00 0.00 0.00 175.76 175.60 2jon s ALA 10 N -2.95 -1.76 0.00 0.00 0.00 -1.26 -5.04 121.76 110.74 2jon s ALA 10 Ca 0.58 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2jon s ALA 10 Cb -0.13 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2jon s ALA 10 CO 0.50 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2jon n GLY 11 N 0.37 2.34 3.29 0.00 0.00 -1.26 -5.10 105.19 104.83 2jon n GLY 11 Ca -0.15 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.18 -0.05 1.61 0.01 -1.26 -4.61 113.70 109.22 2jon s SER 12 Ca 0.00 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 2jon s SER 12 Cb 0.00 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.69 2jon s SER 12 CO 0.00 -0.77 0.03 0.26 0.41 0.00 0.00 173.24 173.18 2jon s TRP 13 N -3.37 0.32 -0.58 2.43 0.51 -1.24 -4.75 118.94 112.26 2jon s TRP 13 Ca 0.00 0.07 -0.21 0.00 -2.12 0.00 0.00 56.10 53.85 2jon s TRP 13 Cb 0.01 -0.60 0.08 0.00 -0.81 0.00 0.00 33.47 32.15 2jon s TRP 13 CO -0.09 -0.24 0.78 0.00 -0.51 0.00 0.00 176.95 176.90 2jon s VAL 15 N 3.20 0.04 0.06 0.00 -7.23 -0.37 -4.75 120.40 111.36 2jon s VAL 15 Ca 0.17 -0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 2jon s VAL 15 Cb -0.20 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.81 2jon s VAL 15 CO 0.10 -0.19 1.40 -2.16 -0.31 0.00 0.00 175.10 173.95 2jon s PRO 16 N -1.89 4.30 -0.20 4.82 0.04 -1.25 -3.00 135.00 137.82 2jon s PRO 16 Ca -0.09 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 62.62 2jon s PRO 16 Cb -0.02 -3.40 -0.13 0.00 0.04 0.00 0.00 34.50 30.99 2jon s PRO 16 CO 0.02 -0.50 1.89 1.63 0.04 0.00 0.00 177.00 180.08 2jon n LYS 17 N 4.61 1.64 -2.07 4.56 4.76 -1.17 -4.82 118.16 125.69 2jon n LYS 17 Ca 0.12 0.58 -0.28 0.00 -2.87 0.00 0.00 58.31 55.86 2jon n LYS 17 Cb 0.43 -2.44 -0.06 0.00 -1.84 0.00 0.00 35.03 31.12 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 4.30 2.51 0.00 1.97 0.04 -1.26 -2.79 135.00 139.77 2jon s PRO 18 Ca 0.98 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2jon s PRO 18 Cb -0.85 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 28.49 2jon s PRO 18 CO 0.56 -3.85 0.00 0.41 0.04 0.00 0.00 177.00 174.16 2jon n GLY 19 N 6.04 0.16 3.50 0.56 0.00 -1.26 -5.16 105.19 109.03 2jon n GLY 19 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.58 1.61 0.31 -1.12 -4.80 118.33 112.74 2jon n VAL 20 Ca 0.00 -0.34 -0.46 0.00 -0.01 0.00 0.00 64.34 63.53 2jon n VAL 20 Cb 0.00 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.93 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jon n SER 21 N -4.46 3.08 -0.34 4.52 7.64 -1.26 -4.84 113.62 117.96 2jon n SER 21 Ca 0.05 0.49 -0.08 0.00 1.01 0.00 0.00 58.87 60.34 2jon n SER 21 Cb 0.54 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 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 9.71 -0.83 -0.31 6.43 8.00 -1.26 0.22 116.55 138.52 2jon n ASP 22 Ca 0.30 1.47 0.21 0.00 0.71 0.00 0.00 54.79 57.48 2jon n ASP 22 Cb 0.35 -0.21 0.49 0.00 -0.02 0.00 0.00 41.12 41.73 2jon n ASP 22 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2jon h ASP 23 N 0.00 0.48 -0.12 -2.24 1.82 -1.99 0.34 116.42 114.71 2jon h ASP 23 Ca 0.16 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 2jon h ASP 23 Cb 0.36 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.36 2jon h ASP 23 CO -0.79 0.13 0.04 -0.61 -1.61 0.00 0.00 179.24 176.40 2jon h GLN 24 N 0.44 0.18 -0.01 0.28 5.75 0.24 -2.90 115.11 119.08 2jon h GLN 24 Ca 0.56 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.91 2jon h GLN 24 Cb 1.36 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.86 2jon h GLN 24 CO -0.28 0.31 -0.55 -0.07 -2.65 0.00 0.00 178.83 175.59 2jon h LEU 25 N 0.01 0.05 -1.98 -2.39 -0.00 -0.11 -2.96 115.31 107.93 2jon h LEU 25 Ca 0.04 -0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.01 2jon h LEU 25 Cb 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2jon h LEU 25 CO -0.00 0.58 0.31 0.74 -0.00 0.00 0.00 178.44 180.07 2jon h THR 26 N 0.03 0.80 -0.01 0.22 2.02 -0.22 0.26 112.91 116.01 2jon h THR 26 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2jon h THR 26 Cb 0.98 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2jon h THR 26 CO 0.07 0.00 0.01 1.23 0.37 0.00 0.00 175.52 177.21 2jon h GLY 27 N 0.03 0.00 0.11 2.16 0.00 -1.44 -3.07 103.07 100.85 2jon h GLY 27 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jon h GLY 27 CO -0.01 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 179.91 2jon h ASN 28 N 0.00 -0.12 -0.93 0.19 2.35 -1.13 -2.13 115.58 113.81 2jon h ASN 28 Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.03 2jon h ASN 28 Cb 0.03 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 38.27 2jon h ASN 28 CO -0.00 -0.07 0.28 0.40 -1.65 0.00 0.00 177.43 176.39 2jon h ILE 29 N -0.17 0.22 -0.39 2.81 2.04 -1.69 0.56 117.51 120.89 2jon h ILE 29 Ca -0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2jon h ILE 29 Cb 0.11 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2jon h ILE 29 CO 0.02 0.03 0.18 -1.13 0.00 0.00 0.00 178.15 177.25 2jon h ASN 30 N 0.17 0.24 0.31 1.72 -1.24 -1.53 0.54 115.58 115.78 2jon h ASN 30 Ca 0.62 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.65 2jon h ASN 30 Cb 1.35 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2jon h ASN 30 CO -0.71 0.18 -0.15 0.22 -1.29 0.00 0.00 177.43 175.68 2jon h TYR 31 N 0.36 -0.38 -0.83 0.67 3.20 0.40 -3.32 116.97 117.07 2jon h TYR 31 Ca 0.17 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.19 2jon h TYR 31 Cb 0.10 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.40 2jon h TYR 31 CO -0.12 -0.23 0.38 0.00 -1.64 0.00 0.00 178.16 176.56 2jon h ALA 32 N -1.10 1.23 0.00 1.82 0.00 -0.14 0.42 119.26 121.49 2jon h ALA 32 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jon h ALA 32 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jon h ALA 32 CO 0.07 -0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.39 2jon n SER 34 N -2.08 3.47 -0.12 0.00 7.64 0.15 -4.15 113.62 118.53 2jon n SER 34 Ca -0.01 -2.29 -0.25 0.00 1.01 0.00 0.00 58.87 57.33 2jon n SER 34 Cb 0.27 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 2jon n SER 34 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jon n GLN 35 N 0.76 0.62 0.00 1.43 0.00 0.26 -5.07 117.38 115.37 2jon n GLN 35 Ca 0.18 0.27 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 2jon n GLN 35 Cb 0.65 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.34 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 1.61 2.81 0.14 1.69 0.00 -1.26 -4.89 105.19 105.29 2jon n GLY 36 Ca -0.48 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.03 -0.61 -5.35 -1.26 -4.01 119.36 108.16 2jon n ILE 37 Ca 0.00 -0.09 -0.01 0.00 -0.27 0.00 0.00 62.75 62.38 2jon n ILE 37 Cb 0.00 -0.09 -0.00 0.00 -1.74 0.00 0.00 39.64 37.81 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 0.52 0.00 -3.10 7.28 3.32 -1.87 -3.41 116.42 119.15 2jon h ASP 38 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2jon h ASP 38 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2jon h ASP 38 CO 0.00 0.35 0.67 0.00 -1.72 0.00 0.00 179.24 178.55 2jon n GLY 40 N 3.34 2.23 0.00 0.00 0.00 -1.26 -4.83 105.19 104.67 2jon n GLY 40 Ca 0.11 -0.75 0.04 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 -0.14 1.61 -0.04 -1.26 -3.17 135.00 132.50 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 0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.41 -2.42 0.52 -5.35 -1.25 -4.74 119.36 105.77 2jon n ILE 42 Ca 0.06 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 2jon n ILE 42 Cb 0.03 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.54 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 -1.40 4.42 0.80 6.28 -1.52 -1.19 -4.70 119.66 122.35 2jon s GLN 43 Ca 0.09 1.77 -0.11 0.00 -1.95 0.00 0.00 55.36 55.16 2jon s GLN 43 Cb 0.07 -3.38 0.07 0.00 -0.22 0.00 0.00 33.01 29.55 2jon s GLN 43 CO 0.03 -0.29 1.09 -1.25 -0.25 0.00 0.00 175.29 174.62 2jon s PRO 44 N 1.24 2.00 -0.11 2.91 0.04 -1.26 -5.01 135.00 134.82 2jon s PRO 44 Ca 0.59 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2jon s PRO 44 Cb -0.29 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2jon s PRO 44 CO 0.28 -1.80 -0.04 0.41 0.04 0.00 0.00 177.00 175.89 2jon n GLY 45 N -1.18 -0.30 0.00 0.56 0.00 -1.26 -5.04 105.19 97.97 2jon n GLY 45 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.70 1.18 0.06 -0.02 0.00 -1.26 -5.02 105.19 102.84 2jon n GLY 46 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2jon n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 47 N 0.00 -0.47 -0.00 4.61 0.00 -1.96 -3.35 119.26 118.09 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 -0.49 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 2jon n PHE 49 N -0.38 -0.02 -3.67 0.00 7.35 -1.26 -3.88 117.46 115.60 2jon n PHE 49 Ca 0.01 0.88 -0.37 0.00 -0.76 0.00 0.00 57.45 57.22 2jon n PHE 49 Cb 0.05 -0.74 -0.10 0.00 0.35 0.00 0.00 39.48 39.04 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 -5.64 4.05 0.52 -4.13 2.02 -1.26 0.60 118.70 114.86 2jon s GLU 50 Ca -0.10 -0.28 -0.20 0.00 0.02 0.00 0.00 54.97 54.41 2jon s GLU 50 Cb 0.14 -3.53 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 2jon s GLU 50 CO 0.50 0.05 1.14 -1.25 0.02 0.00 0.00 175.26 175.72 2jon s PRO 51 N 1.09 3.45 -0.19 0.39 0.04 -1.25 -5.05 135.00 133.48 2jon s PRO 51 Ca 0.07 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2jon s PRO 51 Cb -0.14 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2jon s PRO 51 CO 0.05 -0.77 0.03 0.54 0.04 0.00 0.00 177.00 176.89 2jon s ASN 52 N -1.67 5.23 0.68 6.66 4.22 0.20 -5.01 114.94 125.25 2jon s ASN 52 Ca 0.71 -0.06 -0.08 0.00 -2.14 0.00 0.00 52.86 51.28 2jon s ASN 52 Cb -0.25 -1.90 0.03 0.00 1.28 0.00 0.00 41.25 40.42 2jon s ASN 52 CO 0.29 0.11 1.02 0.42 -2.04 0.00 0.00 177.10 176.90 2jon s THR 53 N 0.72 3.02 0.02 0.54 -4.23 -1.26 -4.99 115.64 109.45 2jon s THR 53 Ca 0.02 0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 2jon s THR 53 Cb -0.14 -3.28 -0.16 0.00 1.34 0.00 0.00 72.50 70.27 2jon s THR 53 CO 0.02 -0.32 1.19 0.58 -0.54 0.00 0.00 174.62 175.55 2jon h VAL 54 N -0.54 0.27 0.00 2.29 2.07 -1.99 -2.88 116.25 115.47 2jon h VAL 54 Ca -0.45 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2jon h VAL 54 Cb 1.28 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2jon h VAL 54 CO 0.62 0.04 0.00 2.29 0.02 0.00 0.00 177.57 180.54 2jon n LYS 55 N -5.32 0.95 -0.17 1.57 0.00 -1.26 -4.11 118.16 109.82 2jon n LYS 55 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.18 2jon n LYS 55 Cb 0.34 -1.19 0.07 0.00 -0.00 0.00 0.00 35.03 34.25 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 2.52 0.50 -0.46 0.58 0.00 -1.89 -1.56 119.26 118.96 2jon h ALA 56 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2jon h ALA 56 Cb 0.19 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2jon h ALA 56 CO 0.00 -0.38 -0.14 0.45 0.00 0.00 0.00 179.25 179.18 2jon h HIS 57 N 0.12 -0.31 -0.84 0.00 3.86 -1.81 0.49 115.15 116.66 2jon h HIS 57 Ca 0.27 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.60 2jon h HIS 57 Cb 0.41 0.21 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 2jon h HIS 57 CO -0.32 -0.22 0.55 0.00 0.86 0.00 0.00 177.93 178.79 2jon h ALA 58 N 1.40 1.65 -0.27 2.45 0.00 -1.62 -0.61 119.26 122.26 2jon h ALA 58 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jon h ALA 58 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jon h ALA 58 CO -0.49 0.20 0.01 0.00 0.00 0.00 0.00 179.25 178.97 2jon h ALA 59 N 1.56 1.51 0.41 0.00 0.00 -0.37 -0.87 119.26 121.51 2jon h ALA 59 Ca 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jon h ALA 59 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jon h ALA 59 CO -0.15 0.35 -0.20 -0.92 0.00 0.00 0.00 179.25 178.34 2jon h TYR 60 N 0.40 -0.51 -0.68 0.00 5.03 -0.45 -3.23 116.97 117.52 2jon h TYR 60 Ca 0.09 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.53 2jon h TYR 60 Cb 0.25 0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 2jon h TYR 60 CO 0.01 -0.32 0.46 -0.24 -1.32 0.00 0.00 178.16 176.75 2jon h VAL 61 N -0.84 0.81 -0.66 1.81 3.04 -1.48 -0.82 116.25 118.11 2jon h VAL 61 Ca -0.06 -0.12 0.19 0.00 -1.01 0.00 0.00 66.70 65.71 2jon h VAL 61 Cb 0.42 0.43 -0.03 0.00 -2.01 0.00 0.00 31.29 30.11 2jon h VAL 61 CO 0.09 0.06 0.87 0.24 -1.01 0.00 0.00 177.57 177.82 2jon h MET 62 N 0.34 0.00 0.46 4.17 2.86 -1.16 0.37 114.93 121.98 2jon h MET 62 Ca 0.33 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 2jon h MET 62 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2jon h MET 62 CO -0.09 0.00 -0.22 -0.97 1.06 0.00 0.00 176.91 176.69 2jon h ASN 63 N 0.00 -0.53 0.02 1.22 -1.24 -1.27 -2.58 115.58 111.20 2jon h ASN 63 Ca 0.31 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 2jon h ASN 63 Cb 2.05 0.14 0.00 0.00 0.73 0.00 0.00 38.32 41.23 2jon h ASN 63 CO -0.00 -0.11 -0.01 0.17 -1.29 0.00 0.00 177.43 176.18 2jon h LEU 64 N -1.07 -0.02 -0.68 0.34 -0.00 -1.08 -3.25 115.31 109.54 2jon h LEU 64 Ca -0.06 -0.69 0.14 0.00 -0.00 0.00 0.00 57.88 57.26 2jon h LEU 64 Cb 0.56 0.01 -0.13 0.00 -0.00 0.00 0.00 40.66 41.09 2jon h LEU 64 CO 0.10 0.70 -0.17 0.22 -0.00 0.00 0.00 178.44 179.29 2jon h TYR 65 N -0.77 -0.37 -0.89 0.17 5.03 -0.54 0.88 116.97 120.49 2jon h TYR 65 Ca -0.00 0.06 0.16 0.00 2.58 0.00 0.00 58.73 61.53 2jon h TYR 65 Cb 0.71 0.27 -0.07 0.00 1.55 0.00 0.00 36.73 39.19 2jon h TYR 65 CO 0.17 -0.29 0.58 -0.92 -1.32 0.00 0.00 178.16 176.37 2jon h TYR 66 N -0.00 0.77 -0.02 -3.82 5.03 -1.55 0.32 116.97 117.70 2jon h TYR 66 Ca 0.33 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.66 2jon h TYR 66 Cb 0.50 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2jon h TYR 66 CO -0.55 0.26 -0.19 1.04 -1.32 0.00 0.00 178.16 177.40 2jon n GLN 67 N -4.56 1.42 -0.01 1.82 6.02 0.14 -1.06 117.38 121.16 2jon n GLN 67 Ca 0.18 -0.99 -0.17 0.00 -0.01 0.00 0.00 57.00 56.00 2jon n GLN 67 Cb 0.52 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.21 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 2.43 0.79 0.16 1.08 2.76 0.45 -3.35 115.15 119.47 2jon h HIS 68 Ca 0.00 -0.39 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 2jon h HIS 68 Cb 0.65 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2jon h HIS 68 CO 0.00 1.19 -0.08 0.00 -1.30 0.00 0.00 177.93 177.75 2jon h ALA 69 N 0.43 -0.24 0.00 5.26 0.00 -1.68 -3.46 119.26 119.57 2jon h ALA 69 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jon h ALA 69 Cb 1.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jon h ALA 69 CO 0.13 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2jon n GLY 70 N 1.20 0.65 2.76 0.00 0.00 -1.25 -4.99 105.19 103.55 2jon n GLY 70 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2jon n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jon n ARG 71 N 0.00 -2.81 -3.64 1.61 1.74 -0.22 -4.95 116.66 108.39 2jon n ARG 71 Ca 0.00 0.60 -0.20 0.00 -0.77 0.00 0.00 57.85 57.48 2jon n ARG 71 Cb 0.32 -5.26 -0.03 0.00 -1.02 0.00 0.00 32.46 26.48 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 -2.29 5.39 0.51 0.55 0.01 -1.24 -4.92 114.94 112.96 2jon s ASN 72 Ca 0.14 -0.48 0.29 0.00 -0.71 0.00 0.00 52.86 52.10 2jon s ASN 72 Cb -0.07 -0.92 1.31 0.00 0.41 0.00 0.00 41.25 41.97 2jon s ASN 72 CO 0.18 -0.45 1.98 0.77 -1.51 0.00 0.00 177.10 178.07 2jon h SER 73 N 1.10 0.00 -0.01 -1.22 4.64 -1.92 -1.83 113.55 114.30 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 0.56 0.13 0.00 -2.67 -0.87 0.00 0.00 176.83 173.98 2jon n TRP 74 N -3.39 0.01 0.54 4.77 2.14 -1.26 -3.39 117.44 116.86 2jon n TRP 74 Ca -0.01 -0.01 0.12 0.00 2.07 0.00 0.00 57.50 59.67 2jon n TRP 74 Cb 0.31 0.00 0.45 0.00 -0.81 0.00 0.00 31.31 31.26 2jon n TRP 74 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2jon n ASN 75 N -0.76 0.53 -4.53 -0.67 5.15 -0.69 -4.58 115.26 109.72 2jon n ASN 75 Ca 0.19 0.60 -0.42 0.00 -0.60 0.00 0.00 54.58 54.34 2jon n ASN 75 Cb 0.11 -0.72 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 2jon n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jon n ASP 77 N 8.55 1.96 0.07 0.00 9.92 -1.26 -4.79 116.55 131.00 2jon n ASP 77 Ca 0.02 -1.79 -0.03 0.00 -0.53 0.00 0.00 54.79 52.47 2jon n ASP 77 Cb 0.48 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.91 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 0.45 -0.19 -2.29 1.24 -1.00 -1.86 -3.48 116.94 109.81 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.44 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.01 2jon h PHE 78 CO 0.04 -0.11 0.72 0.45 -1.61 0.00 0.00 178.31 177.80 2jon s SER 79 N -2.34 -0.01 0.00 2.17 0.15 -1.26 -4.65 113.70 107.76 2jon s SER 79 Ca -0.03 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.26 2jon s SER 79 Cb 0.00 0.34 0.46 0.00 -1.71 0.00 0.00 66.02 65.11 2jon s SER 79 CO 0.09 -0.67 1.00 0.00 1.20 0.00 0.00 173.24 174.86 2jon n GLN 80 N -0.75 0.21 -0.11 5.44 3.00 -1.26 -2.60 117.38 121.31 2jon n GLN 80 Ca -0.01 0.07 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 2jon n GLN 80 Cb 0.59 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.25 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 -1.10 1.51 -2.65 5.09 -2.24 -1.26 -4.79 114.28 108.84 2jon n THR 81 Ca 0.05 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jon n THR 81 Cb 0.04 -2.09 -0.03 0.00 -2.10 0.00 0.00 70.33 66.15 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 -2.51 2.93 0.34 6.98 0.00 -1.07 -3.02 121.76 125.41 2jon s ALA 82 Ca -0.29 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2jon s ALA 82 Cb 0.07 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2jon s ALA 82 CO 0.49 -2.94 0.49 -0.08 0.00 0.00 0.00 175.76 173.72 2jon s THR 83 N 5.01 0.00 0.08 0.00 -1.32 -1.16 -4.42 115.64 113.83 2jon s THR 83 Ca 0.33 -1.55 -0.31 0.00 -1.21 0.00 0.00 61.69 58.95 2jon s THR 83 Cb -0.10 -2.64 -0.08 0.00 -1.51 0.00 0.00 72.50 68.17 2jon s THR 83 CO 0.17 0.00 1.55 -0.76 -2.21 0.00 0.00 174.62 173.37 2jon s LEU 84 N -3.22 4.36 0.41 9.08 1.02 -1.26 -1.23 118.68 127.84 2jon s LEU 84 Ca 0.29 2.42 0.08 0.00 0.02 0.00 0.00 54.13 56.94 2jon s LEU 84 Cb -0.01 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.61 2jon s LEU 84 CO 0.19 -0.81 0.38 0.28 0.02 0.00 0.00 176.35 176.41 2jon s THR 85 N 2.08 2.79 0.00 5.49 -1.32 0.17 -4.90 115.64 119.95 2jon s THR 85 Ca 0.70 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2jon s THR 85 Cb -0.39 -3.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 2jon s THR 85 CO 0.31 -0.02 0.00 0.59 -2.21 0.00 0.00 174.62 173.28 2jon n ASN 86 N -1.54 -1.07 -3.82 8.08 3.02 -1.26 -3.70 115.26 114.97 2jon n ASN 86 Ca 0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.23 0.00 -1.49 3.41 5.66 -1.26 -4.40 114.28 113.97 2jon n THR 87 Ca 0.00 -0.05 -0.45 0.00 -3.05 0.00 0.00 64.05 60.50 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 0.95 1.95 0.18 1.09 4.05 -1.26 -4.78 115.26 117.44 2jon n ASN 88 Ca 0.02 0.13 0.14 0.00 0.45 0.00 0.00 54.58 55.32 2jon n ASN 88 Cb 0.38 -1.31 0.57 0.00 1.23 0.00 0.00 39.78 40.65 2jon n ASN 88 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2jon h PRO 89 N 14.28 0.00 -6.00 1.20 0.13 -1.96 -3.44 132.00 136.20 2jon h PRO 89 Ca -0.24 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.23 2jon h PRO 89 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2jon h PRO 89 CO 1.11 0.00 1.41 0.45 -0.23 0.00 0.00 178.00 180.73 2jon n SER 90 N -2.52 2.29 0.14 1.44 2.88 -1.26 -4.79 113.62 111.79 2jon n SER 90 Ca 0.01 0.42 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 2jon n SER 90 Cb 0.25 -1.29 0.41 0.00 -0.75 0.00 0.00 64.21 62.83 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 12.46 0.00 0.00 0.66 -0.00 -1.86 -3.49 116.97 124.74 2jon h TYR 91 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.43 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 0.95 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 2jon n GLY 92 N 0.92 -0.40 0.33 0.10 0.00 -1.26 -4.96 105.19 99.92 2jon n GLY 92 Ca 0.04 0.29 0.25 0.00 0.00 0.00 0.00 46.02 46.59 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 1.75 -1.46 4.61 0.00 -2.03 -3.30 119.26 118.83 2jon h ALA 93 Ca 0.00 0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.67 2jon h ALA 93 Cb 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2jon h ALA 93 CO 0.00 -0.79 1.07 0.00 0.00 0.00 0.00 179.25 179.53 2jon s ASN 95 N 4.00 6.28 0.25 0.00 4.22 -1.24 -3.86 114.94 124.59 2jon s ASN 95 Ca 0.42 0.32 -0.22 0.00 -2.14 0.00 0.00 52.86 51.25 2jon s ASN 95 Cb -0.09 -2.11 -0.09 0.00 1.28 0.00 0.00 41.25 40.24 2jon s ASN 95 CO 0.19 0.18 0.79 -0.36 -2.04 0.00 0.00 177.10 175.87 2jon s PHE 96 N 0.27 3.67 -0.09 1.54 0.40 -1.26 -5.01 117.98 117.50 2jon s PHE 96 Ca 0.11 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.66 2jon s PHE 96 Cb -0.12 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.66 2jon s PHE 96 CO 0.00 0.30 1.51 -1.25 0.70 0.00 0.00 175.22 176.49 2jon s PRO 97 N -1.98 4.20 0.00 0.24 0.04 -1.26 -4.88 135.00 131.36 2jon s PRO 97 Ca 0.45 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.62 2jon s PRO 97 Cb -0.17 -3.89 0.16 0.00 0.04 0.00 0.00 34.50 30.64 2jon s PRO 97 CO 0.22 -0.79 0.99 -1.13 0.04 0.00 0.00 177.00 176.33 2jon n SER 98 N 6.85 2.27 0.00 6.66 3.41 -1.26 -4.23 113.62 127.32 2jon n SER 98 Ca 0.16 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 2jon n SER 98 Cb 0.43 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2jon n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jon n GLY 99 N 0.63 3.51 3.76 5.00 0.00 -1.26 -4.91 105.19 111.92 2jon n GLY 99 Ca 0.08 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2jon n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jon s SER 100 N 0.00 7.41 0.00 1.61 0.01 -1.26 -4.38 113.70 117.09 2jon s SER 100 Ca 0.00 2.04 0.31 0.00 1.31 0.00 0.00 55.95 59.61 2jon s SER 100 Cb 0.00 -2.61 1.77 0.00 0.21 0.00 0.00 66.02 65.39 2jon s SER 100 CO 0.00 -0.02 2.15 -0.46 0.41 0.00 0.00 173.24 175.32