#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jon n THR 2 N 0.00 0.00 0.98 0.00 -2.24 -1.26 -4.84 114.28 106.91 2jon n THR 2 Ca 0.00 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 2jon n THR 2 Cb 0.00 -0.98 0.32 0.00 -2.10 0.00 0.00 70.33 67.57 2jon n THR 2 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jon n PRO 3 N -4.36 0.49 -1.40 -0.78 -0.04 -1.26 -4.85 135.00 122.80 2jon n PRO 3 Ca 0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 2jon n PRO 3 Cb 0.53 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2jon n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jon n THR 4 N -0.85 2.43 -2.23 0.52 -2.24 -1.26 -4.91 114.28 105.74 2jon n THR 4 Ca 0.08 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 2jon n THR 4 Cb 0.04 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 2jon n THR 4 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jon s PRO 5 N -2.66 4.42 0.18 -0.78 0.04 -1.26 -5.04 135.00 129.89 2jon s PRO 5 Ca 0.69 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.88 2jon s PRO 5 Cb -0.39 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2jon s PRO 5 CO 0.54 -0.17 -0.10 0.95 0.04 0.00 0.00 177.00 178.26 2jon s THR 6 N -0.34 3.19 0.26 1.26 -4.23 -1.26 -5.14 115.64 109.38 2jon s THR 6 Ca 0.53 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 2jon s THR 6 Cb -0.37 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 70.96 2jon s THR 6 CO 0.42 -0.10 0.23 -0.81 -0.54 0.00 0.00 174.62 173.82 2jon n PRO 7 N 0.06 -1.47 -4.41 3.99 -0.04 -1.26 -4.95 135.00 126.93 2jon n PRO 7 Ca -0.11 -0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 62.72 2jon n PRO 7 Cb 0.55 -0.34 -0.17 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.52 1.94 0.02 0.54 0.00 -1.26 -4.89 119.74 112.57 2jon s LYS 8 Ca 0.15 -0.46 -0.30 0.00 0.00 0.00 0.00 55.97 55.35 2jon s LYS 8 Cb -0.01 -1.68 -0.05 0.00 0.00 0.00 0.00 37.83 36.08 2jon s LYS 8 CO 0.11 -0.07 1.26 0.00 0.00 0.00 0.00 175.35 176.66 2jon s ALA 9 N 1.00 3.48 0.25 0.59 0.00 -1.26 -4.99 121.76 120.83 2jon s ALA 9 Ca -0.07 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2jon s ALA 9 Cb -0.15 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 2jon s ALA 9 CO -0.01 -0.63 1.29 0.00 0.00 0.00 0.00 175.76 176.41 2jon s ALA 10 N 1.63 3.51 0.00 0.00 0.00 -1.26 -4.28 121.76 121.36 2jon s ALA 10 Ca 0.60 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2jon s ALA 10 Cb -0.29 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2jon s ALA 10 CO 0.27 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2jon n GLY 11 N 1.71 0.72 3.55 0.00 0.00 -1.26 -5.12 105.19 104.80 2jon n GLY 11 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.27 -0.87 -0.10 1.61 0.01 -1.26 -4.63 113.70 106.18 2jon s SER 12 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2jon s SER 12 Cb 0.00 1.50 0.02 0.00 0.21 0.00 0.00 66.02 67.75 2jon s SER 12 CO 0.00 -0.23 -0.09 0.26 0.41 0.00 0.00 173.24 173.59 2jon s TRP 13 N 1.97 1.48 -0.46 2.43 0.51 -1.24 -4.54 118.94 119.09 2jon s TRP 13 Ca -0.08 -0.69 -0.18 0.00 -2.12 0.00 0.00 56.10 53.02 2jon s TRP 13 Cb -0.08 -1.19 0.04 0.00 -0.81 0.00 0.00 33.47 31.43 2jon s TRP 13 CO -0.18 -0.45 0.54 0.00 -0.51 0.00 0.00 176.95 176.34 2jon s VAL 15 N 2.37 0.06 0.14 0.00 -7.23 0.02 -4.80 120.40 110.95 2jon s VAL 15 Ca 0.14 -0.49 -0.31 0.00 -1.81 0.00 0.00 61.98 59.50 2jon s VAL 15 Cb -0.18 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 2jon s VAL 15 CO 0.13 -0.27 1.35 -2.16 -0.31 0.00 0.00 175.10 173.83 2jon s PRO 16 N -2.50 4.35 -0.32 4.82 0.04 -1.26 -3.00 135.00 137.13 2jon s PRO 16 Ca -0.05 2.04 -0.35 0.00 0.04 0.00 0.00 61.00 62.68 2jon s PRO 16 Cb -0.01 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 2jon s PRO 16 CO -0.03 -0.36 2.17 1.63 0.04 0.00 0.00 177.00 180.45 2jon n LYS 17 N 3.53 1.22 -2.04 4.56 5.02 -1.16 -4.84 118.16 124.45 2jon n LYS 17 Ca 0.10 0.34 -0.35 0.00 -2.02 0.00 0.00 58.31 56.38 2jon n LYS 17 Cb 0.43 -2.54 -0.04 0.00 -0.02 0.00 0.00 35.03 32.86 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 6.05 2.60 0.00 1.97 0.04 -1.26 -2.74 135.00 141.66 2jon s PRO 18 Ca 1.08 0.32 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2jon s PRO 18 Cb -0.80 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.13 2jon s PRO 18 CO 0.48 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2jon n GLY 19 N 6.07 2.12 2.78 0.56 0.00 -1.26 -5.14 105.19 110.32 2jon n GLY 19 Ca 0.27 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2jon n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jon n VAL 20 N 0.00 0.00 -1.55 1.61 3.14 -1.11 -4.75 118.33 115.67 2jon n VAL 20 Ca 0.00 0.00 -0.51 0.00 -2.96 0.00 0.00 64.34 60.87 2jon n VAL 20 Cb 0.00 -0.82 -0.06 0.00 -1.06 0.00 0.00 33.84 31.90 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jon n SER 21 N -4.99 2.54 0.31 6.55 7.64 -1.26 -4.86 113.62 119.55 2jon n SER 21 Ca 0.11 0.62 -0.17 0.00 1.01 0.00 0.00 58.87 60.44 2jon n SER 21 Cb 0.50 -1.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.33 2jon n SER 21 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2jon h ASP 22 N 11.11 -0.87 0.00 6.43 3.32 -1.97 -1.07 116.42 133.37 2jon h ASP 22 Ca -0.36 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2jon h ASP 22 Cb 1.30 0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.11 2jon h ASP 22 CO 0.99 -0.53 0.29 0.44 -1.72 0.00 0.00 179.24 178.71 2jon h ASP 23 N -0.84 0.00 0.10 6.45 5.19 -2.00 0.92 116.42 126.24 2jon h ASP 23 Ca -0.06 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 2jon h ASP 23 Cb 0.69 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.21 2jon h ASP 23 CO 0.05 0.00 -0.60 -0.61 -3.12 0.00 0.00 179.24 174.97 2jon h GLN 24 N 0.00 0.21 0.01 3.56 5.75 -1.57 -3.36 115.11 119.71 2jon h GLN 24 Ca 0.00 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2jon h GLN 24 Cb 0.59 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2jon h GLN 24 CO 0.00 1.17 -0.01 -0.07 -2.65 0.00 0.00 178.83 177.27 2jon h LEU 25 N -0.56 -0.01 -1.40 -2.39 -0.00 -0.61 -3.11 115.31 107.22 2jon h LEU 25 Ca -0.11 -0.51 0.41 0.00 -0.00 0.00 0.00 57.88 57.67 2jon h LEU 25 Cb 1.45 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.06 2jon h LEU 25 CO 0.10 0.51 1.15 1.07 -0.00 0.00 0.00 178.44 181.27 2jon n THR 26 N -4.85 0.00 -0.10 0.22 5.66 -0.65 0.17 114.28 114.72 2jon n THR 26 Ca -0.09 1.19 -0.11 0.00 -3.05 0.00 0.00 64.05 62.00 2jon n THR 26 Cb 0.26 -2.04 -0.03 0.00 -1.55 0.00 0.00 70.33 66.97 2jon n THR 26 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jon h GLY 27 N 0.00 0.59 -0.81 1.09 0.00 -1.69 -3.15 103.07 99.11 2jon h GLY 27 Ca 0.67 -0.44 0.20 0.00 0.00 0.00 0.00 47.33 47.76 2jon h GLY 27 CO -0.01 0.41 -0.14 3.43 0.00 0.00 0.00 176.54 180.23 2jon h ASN 28 N 0.34 -0.70 -0.81 0.19 2.35 0.15 0.68 115.58 117.78 2jon h ASN 28 Ca 0.09 0.27 0.09 0.00 -0.55 0.00 0.00 56.30 56.19 2jon h ASN 28 Cb 0.45 0.52 -0.07 0.00 0.05 0.00 0.00 38.32 39.27 2jon h ASN 28 CO 0.02 -0.30 0.47 0.40 -1.65 0.00 0.00 177.43 176.37 2jon h ILE 29 N 0.02 0.93 -0.51 2.81 2.04 -1.65 0.30 117.51 121.45 2jon h ILE 29 Ca 0.48 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 66.12 2jon h ILE 29 Cb 0.82 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2jon h ILE 29 CO -0.91 0.15 0.23 -1.13 0.00 0.00 0.00 178.15 176.49 2jon h ASN 30 N 0.81 0.29 0.25 1.72 -1.24 0.30 0.57 115.58 118.28 2jon h ASN 30 Ca 0.38 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 2jon h ASN 30 Cb 0.32 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2jon h ASN 30 CO -0.23 0.20 -0.12 0.22 -1.29 0.00 0.00 177.43 176.21 2jon h TYR 31 N 0.44 -0.32 -0.66 0.67 3.20 -0.85 -3.31 116.97 116.15 2jon h TYR 31 Ca 0.23 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.23 2jon h TYR 31 Cb 0.19 0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.47 2jon h TYR 31 CO -0.13 -0.20 0.10 0.00 -1.64 0.00 0.00 178.16 176.30 2jon h ALA 32 N -1.24 0.76 0.00 1.82 0.00 -0.45 0.43 119.26 120.58 2jon h ALA 32 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jon h ALA 32 Cb 0.26 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jon h ALA 32 CO 0.06 -0.35 0.43 0.00 0.00 0.00 0.00 179.25 179.39 2jon n SER 34 N -2.44 3.81 -0.13 0.00 2.88 0.15 -4.15 113.62 113.75 2jon n SER 34 Ca -0.01 -2.49 -0.27 0.00 -1.33 0.00 0.00 58.87 54.77 2jon n SER 34 Cb 0.46 -0.56 -0.11 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.52 0.59 0.00 -1.46 0.00 0.36 -5.07 117.38 112.32 2jon n GLN 35 Ca 0.18 0.34 0.00 0.00 -0.00 0.00 0.00 57.00 57.52 2jon n GLN 35 Cb 0.78 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.45 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 1.40 2.49 0.14 1.69 0.00 -1.26 -4.89 105.19 104.75 2jon n GLY 36 Ca -0.48 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.61 -0.00 -1.26 -4.10 119.36 113.45 2jon n ILE 37 Ca 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2jon n ILE 37 Cb 0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.64 39.52 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 0.54 -0.02 -3.23 7.28 3.32 -1.86 -3.41 116.42 119.03 2jon h ASP 38 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2jon h ASP 38 Cb 0.12 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2jon h ASP 38 CO 0.00 0.07 0.53 0.00 -1.72 0.00 0.00 179.24 178.12 2jon n GLY 40 N 3.15 2.26 0.00 0.00 0.00 -1.26 -4.84 105.19 104.51 2jon n GLY 40 Ca 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.08 1.61 -0.04 -1.26 -3.33 135.00 132.38 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 -1.09 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.59 0.25 -2.49 0.52 -5.35 -1.26 -4.86 119.36 105.59 2jon n ILE 42 Ca 0.02 -0.14 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 2jon n ILE 42 Cb 0.01 -0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 2jon n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jon s GLN 43 N -1.36 4.36 0.81 6.28 -1.52 -1.21 -4.88 119.66 122.15 2jon s GLN 43 Ca 0.06 1.63 -0.11 0.00 -1.95 0.00 0.00 55.36 54.99 2jon s GLN 43 Cb 0.04 -3.55 0.08 0.00 -0.22 0.00 0.00 33.01 29.36 2jon s GLN 43 CO 0.02 -0.43 1.09 -1.25 -0.25 0.00 0.00 175.29 174.47 2jon s PRO 44 N 2.18 1.93 -0.14 2.91 0.04 -1.26 -5.01 135.00 135.65 2jon s PRO 44 Ca 0.55 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.65 2jon s PRO 44 Cb -0.24 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2jon s PRO 44 CO 0.21 -1.84 -0.13 0.41 0.04 0.00 0.00 177.00 175.70 2jon n GLY 45 N -1.18 -0.19 0.00 0.56 0.00 -1.26 -5.04 105.19 98.08 2jon n GLY 45 Ca 0.08 -0.09 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 2.80 0.94 0.01 -0.02 0.00 -1.26 -5.07 105.19 102.58 2jon n GLY 46 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2jon n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon n ALA 47 N 0.00 0.12 -0.21 4.61 0.00 -1.26 -4.78 120.51 118.99 2jon n ALA 47 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.18 2jon n ALA 47 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2jon n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon h PHE 49 N 0.45 -0.44 -3.33 0.00 3.57 -1.98 -3.40 116.94 111.82 2jon h PHE 49 Ca 0.00 0.02 -0.60 0.00 3.53 0.00 0.00 57.97 60.92 2jon h PHE 49 Cb 0.65 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.47 2jon h PHE 49 CO 0.06 -0.24 -0.42 -1.21 -2.23 0.00 0.00 178.31 174.27 2jon s GLU 50 N -6.13 4.20 0.62 1.11 2.02 -1.26 -1.11 118.70 118.15 2jon s GLU 50 Ca -0.15 -0.09 -0.16 0.00 0.02 0.00 0.00 54.97 54.59 2jon s GLU 50 Cb 0.09 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 2jon s GLU 50 CO 0.67 0.23 1.12 -1.25 0.02 0.00 0.00 175.26 176.04 2jon s PRO 51 N 0.54 2.97 -0.08 0.39 0.04 -1.26 -5.05 135.00 132.55 2jon s PRO 51 Ca 0.12 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 2jon s PRO 51 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2jon s PRO 51 CO 0.01 -1.12 0.17 0.54 0.04 0.00 0.00 177.00 176.65 2jon s ASN 52 N -2.34 6.42 0.25 6.66 2.20 -0.27 -5.05 114.94 122.81 2jon s ASN 52 Ca 0.69 0.48 0.03 0.00 -0.94 0.00 0.00 52.86 53.12 2jon s ASN 52 Cb -0.21 -2.07 -0.03 0.00 -2.00 0.00 0.00 41.25 36.93 2jon s ASN 52 CO 0.37 0.36 0.40 0.42 -2.94 0.00 0.00 177.10 175.71 2jon s THR 53 N -1.11 5.22 0.02 0.54 -4.23 -1.26 -5.04 115.64 109.78 2jon s THR 53 Ca 0.19 -0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 59.72 2jon s THR 53 Cb -0.12 -3.82 -0.17 0.00 1.34 0.00 0.00 72.50 69.73 2jon s THR 53 CO 0.08 -0.32 1.28 0.58 -0.54 0.00 0.00 174.62 175.70 2jon h VAL 54 N 1.20 0.59 -0.00 2.29 2.07 -1.99 -2.81 116.25 117.60 2jon h VAL 54 Ca -0.50 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2jon h VAL 54 Cb 1.22 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jon h VAL 54 CO 0.63 0.08 0.00 2.29 0.02 0.00 0.00 177.57 180.60 2jon n LYS 55 N -5.19 1.01 -0.03 1.57 0.00 -1.26 -4.29 118.16 109.96 2jon n LYS 55 Ca -0.10 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.07 2jon n LYS 55 Cb 0.28 -1.40 -0.07 0.00 -0.00 0.00 0.00 35.03 33.83 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 2.21 -0.67 -0.69 0.58 0.00 -1.90 -1.41 119.26 117.38 2jon h ALA 56 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2jon h ALA 56 Cb 0.40 0.89 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 2jon h ALA 56 CO 0.00 -0.98 -0.09 1.58 0.00 0.00 0.00 179.25 179.76 2jon n HIS 57 N -5.43 0.33 -0.09 0.00 -0.00 -1.26 0.20 115.22 108.96 2jon n HIS 57 Ca -0.04 0.84 -0.10 0.00 -0.00 0.00 0.00 57.72 58.41 2jon n HIS 57 Cb 0.37 -0.95 -0.03 0.00 -0.00 0.00 0.00 29.99 29.37 2jon n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jon h ALA 58 N 1.38 0.36 -0.44 1.57 0.00 -1.61 -2.22 119.26 118.31 2jon h ALA 58 Ca 0.37 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2jon h ALA 58 Cb 0.65 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2jon h ALA 58 CO -0.69 0.02 0.16 0.00 0.00 0.00 0.00 179.25 178.75 2jon h ALA 59 N 0.90 0.53 0.51 0.00 0.00 0.26 0.47 119.26 121.93 2jon h ALA 59 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jon h ALA 59 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jon h ALA 59 CO 0.00 -0.22 -0.25 -0.92 0.00 0.00 0.00 179.25 177.86 2jon h TYR 60 N 0.34 -0.66 -0.83 0.00 5.03 -0.85 -2.98 116.97 117.02 2jon h TYR 60 Ca 0.20 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.63 2jon h TYR 60 Cb 0.18 0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.62 2jon h TYR 60 CO -0.15 -0.41 0.54 -0.24 -1.32 0.00 0.00 178.16 176.59 2jon h VAL 61 N -0.70 0.84 -0.20 1.81 3.04 -1.35 -0.51 116.25 119.18 2jon h VAL 61 Ca -0.07 -0.21 0.06 0.00 -1.01 0.00 0.00 66.70 65.47 2jon h VAL 61 Cb 0.54 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 2jon h VAL 61 CO 0.11 0.11 0.77 0.24 -1.01 0.00 0.00 177.57 177.79 2jon h MET 62 N 0.62 0.00 0.10 4.17 2.86 0.12 0.45 114.93 123.24 2jon h MET 62 Ca 0.41 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2jon h MET 62 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2jon h MET 62 CO -0.17 0.00 -0.05 -0.97 1.06 0.00 0.00 176.91 176.78 2jon h ASN 63 N 0.00 -0.11 0.12 1.22 -0.73 -1.15 -2.78 115.58 112.15 2jon h ASN 63 Ca 0.10 -0.45 -0.18 0.00 1.87 0.00 0.00 56.30 57.64 2jon h ASN 63 Cb 1.63 0.03 0.01 0.00 0.27 0.00 0.00 38.32 40.27 2jon h ASN 63 CO -0.00 0.44 -0.83 0.17 -0.37 0.00 0.00 177.43 176.85 2jon h LEU 64 N -0.72 0.39 -0.68 0.34 -0.00 -0.65 -3.30 115.31 110.69 2jon h LEU 64 Ca -0.01 -0.93 0.14 0.00 -0.00 0.00 0.00 57.88 57.07 2jon h LEU 64 Cb 0.55 -0.13 -0.10 0.00 -0.00 0.00 0.00 40.66 40.99 2jon h LEU 64 CO 0.02 1.39 0.18 0.22 -0.00 0.00 0.00 178.44 180.25 2jon h TYR 65 N -0.44 0.29 -0.31 0.17 5.03 -0.47 0.78 116.97 122.02 2jon h TYR 65 Ca -0.16 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.22 2jon h TYR 65 Cb 1.58 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.83 2jon h TYR 65 CO 0.19 -0.03 0.21 -0.92 -1.32 0.00 0.00 178.16 176.29 2jon h TYR 66 N 0.30 0.27 -0.01 -3.82 5.03 -1.61 -0.10 116.97 117.03 2jon h TYR 66 Ca 0.37 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.69 2jon h TYR 66 Cb 0.59 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2jon h TYR 66 CO -0.24 0.16 -0.39 1.04 -1.32 0.00 0.00 178.16 177.41 2jon n GLN 67 N -4.49 1.05 -0.03 1.82 6.02 0.75 -1.05 117.38 121.45 2jon n GLN 67 Ca 0.03 -0.78 -0.17 0.00 -0.01 0.00 0.00 57.00 56.07 2jon n GLN 67 Cb 0.17 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 2jon n GLN 67 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2jon h HIS 68 N 1.91 0.89 0.18 1.08 2.76 0.24 -3.36 115.15 118.85 2jon h HIS 68 Ca 0.00 -0.39 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 2jon h HIS 68 Cb 0.65 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2jon h HIS 68 CO 0.00 1.20 -0.09 0.00 -1.30 0.00 0.00 177.93 177.74 2jon h ALA 69 N 0.51 -0.26 0.00 5.26 0.00 -1.71 -3.46 119.26 119.60 2jon h ALA 69 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jon h ALA 69 Cb 1.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2jon h ALA 69 CO 0.13 -0.24 -0.03 0.41 0.00 0.00 0.00 179.25 179.53 2jon n GLY 70 N 1.14 0.34 3.43 0.00 0.00 -1.26 -4.99 105.19 103.86 2jon n GLY 70 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.06 -3.93 1.61 1.74 -0.22 -4.89 116.66 106.91 2jon n ARG 71 Ca -0.03 0.58 -0.22 0.00 -0.77 0.00 0.00 57.85 57.41 2jon n ARG 71 Cb 0.27 -5.35 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 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 -2.84 4.98 0.52 0.55 0.01 -1.23 -4.73 114.94 112.20 2jon s ASN 72 Ca 0.44 -0.65 0.30 0.00 -0.71 0.00 0.00 52.86 52.24 2jon s ASN 72 Cb -0.23 -0.82 1.33 0.00 0.41 0.00 0.00 41.25 41.93 2jon s ASN 72 CO 0.55 -0.36 1.99 0.77 -1.51 0.00 0.00 177.10 178.54 2jon h SER 73 N 1.37 0.00 -0.01 -1.22 4.64 -1.92 -1.89 113.55 114.52 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jon h SER 73 CO 0.61 0.11 0.00 -2.67 -0.87 0.00 0.00 176.83 174.01 2jon n TRP 74 N -3.34 0.01 0.21 4.77 2.14 -1.26 -3.37 117.44 116.59 2jon n TRP 74 Ca -0.01 -0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.65 2jon n TRP 74 Cb 0.31 0.00 0.36 0.00 -0.81 0.00 0.00 31.31 31.17 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 0.18 0.00 -2.70 -0.67 -1.24 -1.65 -3.41 115.58 106.09 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 0.04 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.99 2jon h ASN 75 CO 0.00 0.25 0.87 0.00 -1.29 0.00 0.00 177.43 177.27 2jon n ASP 77 N 8.60 2.34 0.08 0.00 9.92 -1.26 -4.80 116.55 131.43 2jon n ASP 77 Ca 0.03 -2.31 -0.04 0.00 -0.53 0.00 0.00 54.79 51.94 2jon n ASP 77 Cb 0.48 -0.17 -0.02 0.00 -0.64 0.00 0.00 41.12 40.78 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 0.42 -0.23 -2.30 1.24 -1.00 -1.87 -3.49 116.94 109.72 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 0.71 0.08 -0.05 0.00 3.61 0.00 0.00 35.95 40.29 2jon h PHE 78 CO 0.07 -0.13 0.71 -1.12 -1.61 0.00 0.00 178.31 176.23 2jon s SER 79 N -2.41 -0.01 0.00 2.17 0.01 -1.26 -4.81 113.70 107.39 2jon s SER 79 Ca -0.03 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 56.86 2jon s SER 79 Cb 0.00 0.35 0.50 0.00 0.21 0.00 0.00 66.02 67.08 2jon s SER 79 CO 0.10 -0.69 1.04 0.00 0.41 0.00 0.00 173.24 174.11 2jon n GLN 80 N -0.74 0.23 -0.10 12.44 6.02 -1.26 -2.62 117.38 131.33 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 1.02 0.00 0.00 30.24 30.26 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jon n THR 81 N -1.10 1.51 -2.66 5.09 -2.24 -1.26 -4.78 114.28 108.85 2jon n THR 81 Ca 0.06 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2jon n THR 81 Cb 0.04 -2.08 -0.03 0.00 -2.10 0.00 0.00 70.33 66.16 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 -2.47 2.93 0.34 6.98 0.00 -1.08 -3.00 121.76 125.46 2jon s ALA 82 Ca -0.28 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2jon s ALA 82 Cb 0.07 -4.06 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2jon s ALA 82 CO 0.51 -2.94 0.49 -0.08 0.00 0.00 0.00 175.76 173.74 2jon s THR 83 N 5.00 0.00 0.67 0.00 -1.32 -1.16 -4.47 115.64 114.37 2jon s THR 83 Ca 0.33 -1.56 -0.15 0.00 -1.21 0.00 0.00 61.69 59.10 2jon s THR 83 Cb -0.10 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.26 2jon s THR 83 CO 0.17 0.00 1.15 -0.76 -2.21 0.00 0.00 174.62 172.97 2jon s LEU 84 N -3.22 3.40 0.25 9.08 1.02 -1.25 -0.80 118.68 127.15 2jon s LEU 84 Ca 0.29 2.16 0.02 0.00 0.02 0.00 0.00 54.13 56.62 2jon s LEU 84 Cb -0.01 -4.57 -0.05 0.00 0.02 0.00 0.00 46.19 41.58 2jon s LEU 84 CO 0.19 -1.84 0.08 0.28 0.02 0.00 0.00 176.35 175.09 2jon s THR 85 N -2.14 0.63 0.00 5.49 -1.32 0.14 -4.87 115.64 113.56 2jon s THR 85 Ca 0.70 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 2jon s THR 85 Cb -0.24 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 2jon s THR 85 CO 0.41 -0.06 0.00 -0.46 -2.21 0.00 0.00 174.62 172.30 2jon n ASN 86 N -0.45 -1.27 -3.96 8.08 0.23 -1.26 -3.69 115.26 112.94 2jon n ASN 86 Ca -0.01 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.76 2jon n ASN 86 Cb 0.66 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.44 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 -2.60 0.00 -1.48 5.53 5.66 -1.26 -4.44 114.28 115.68 2jon n THR 87 Ca 0.00 -0.08 -0.46 0.00 -3.05 0.00 0.00 64.05 60.47 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 1.41 2.00 0.00 1.09 4.05 -1.26 -4.77 115.26 117.78 2jon n ASN 88 Ca 0.00 0.17 0.07 0.00 0.45 0.00 0.00 54.58 55.27 2jon n ASN 88 Cb 0.54 -1.31 0.44 0.00 1.23 0.00 0.00 39.78 40.68 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 8.46 0.49 -1.47 1.20 -0.04 -1.26 -4.79 135.00 137.58 2jon n PRO 89 Ca 0.43 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.41 2jon n PRO 89 Cb 0.29 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.97 2.16 0.13 3.54 2.88 -1.26 -4.79 113.62 115.31 2jon n SER 90 Ca 0.11 0.30 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 2jon n SER 90 Cb 0.05 -1.30 0.31 0.00 -0.75 0.00 0.00 64.21 62.52 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 13.24 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 125.51 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 1.25 0.15 0.22 0.10 0.00 -1.26 -4.98 105.19 100.67 2jon n GLY 92 Ca 0.05 0.54 0.03 0.00 0.00 0.00 0.00 46.02 46.64 2jon n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 93 N 2.00 1.54 -1.45 4.61 0.00 -2.00 -3.39 119.26 120.58 2jon h ALA 93 Ca 0.00 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.14 2jon h ALA 93 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2jon h ALA 93 CO 0.00 0.34 1.07 0.00 0.00 0.00 0.00 179.25 180.66 2jon s ASN 95 N 3.99 6.40 0.28 0.00 -0.87 -1.26 -3.91 114.94 119.56 2jon s ASN 95 Ca 0.41 0.48 -0.18 0.00 -1.57 0.00 0.00 52.86 52.00 2jon s ASN 95 Cb -0.09 -2.11 -0.09 0.00 -0.02 0.00 0.00 41.25 38.95 2jon s ASN 95 CO 0.19 0.31 0.75 -0.36 -2.57 0.00 0.00 177.10 175.42 2jon s PHE 96 N -0.54 3.51 0.23 2.20 0.40 -1.26 -5.01 117.98 117.50 2jon s PHE 96 Ca 0.15 1.34 -0.30 0.00 -0.60 0.00 0.00 56.93 57.51 2jon s PHE 96 Cb -0.12 -2.60 -0.09 0.00 0.51 0.00 0.00 43.02 40.71 2jon s PHE 96 CO 0.04 0.20 1.29 -1.25 0.70 0.00 0.00 175.22 176.20 2jon s PRO 97 N -2.48 4.41 0.00 0.24 0.04 -1.26 -4.93 135.00 131.01 2jon s PRO 97 Ca 0.49 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.63 2jon s PRO 97 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2jon s PRO 97 CO 0.19 -0.20 0.27 0.45 0.04 0.00 0.00 177.00 177.75 2jon n SER 98 N 2.22 0.41 -0.73 6.66 2.88 -1.26 -3.76 113.62 120.04 2jon n SER 98 Ca 0.04 -0.71 -0.02 0.00 -1.33 0.00 0.00 58.87 56.86 2jon n SER 98 Cb 0.43 0.83 0.01 0.00 -0.75 0.00 0.00 64.21 64.73 2jon n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jon n GLY 99 N 0.97 0.80 3.79 0.46 0.00 -1.26 -4.77 105.19 105.17 2jon n GLY 99 Ca 0.01 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.02 6.74 0.00 1.61 0.15 -1.26 -4.73 113.70 113.19 2jon s SER 100 Ca 0.05 0.87 0.29 0.00 0.70 0.00 0.00 55.95 57.86 2jon s SER 100 Cb -0.02 -2.26 1.22 0.00 -1.71 0.00 0.00 66.02 63.26 2jon s SER 100 CO 0.06 0.20 1.84 -0.46 1.20 0.00 0.00 173.24 176.08