#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 2.81 -0.42 0.00 -4.23 -1.26 -5.08 115.64 107.46 2jon s THR 2 Ca 0.00 -1.23 -0.28 0.00 -1.18 0.00 0.00 61.69 59.00 2jon s THR 2 Cb 0.00 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 2jon s THR 2 CO 0.00 0.30 1.75 -2.16 -0.54 0.00 0.00 174.62 173.97 2jon s PRO 3 N -1.55 3.18 0.03 3.99 0.04 -1.26 -4.99 135.00 134.44 2jon s PRO 3 Ca 0.15 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 2jon s PRO 3 Cb -0.11 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 2jon s PRO 3 CO 0.06 -2.05 0.33 0.95 0.04 0.00 0.00 177.00 176.33 2jon s THR 4 N 7.24 5.21 0.00 1.26 -4.23 -1.26 -5.10 115.64 118.75 2jon s THR 4 Ca 0.73 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2jon s THR 4 Cb -0.18 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2jon s THR 4 CO 0.30 0.36 0.00 -0.81 -0.54 0.00 0.00 174.62 173.93 2jon n PRO 5 N 1.13 -0.29 -2.49 3.99 -0.04 -1.26 -4.99 135.00 131.06 2jon n PRO 5 Ca -0.11 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.96 2jon n PRO 5 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 2jon n PRO 5 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jon s THR 6 N -0.64 3.54 0.48 0.52 -1.32 -1.26 -5.05 115.64 111.92 2jon s THR 6 Ca 0.00 1.43 -0.08 0.00 -1.21 0.00 0.00 61.69 61.83 2jon s THR 6 Cb 0.00 -3.86 0.12 0.00 -1.51 0.00 0.00 72.50 67.25 2jon s THR 6 CO 0.00 0.24 0.42 -0.81 -2.21 0.00 0.00 174.62 172.27 2jon n PRO 7 N 0.76 -1.85 -4.29 7.08 -0.04 -1.26 -5.07 135.00 130.34 2jon n PRO 7 Ca 0.01 -0.68 -0.28 0.00 -0.04 0.00 0.00 63.50 62.51 2jon n PRO 7 Cb 0.46 -0.64 -0.17 0.00 -0.04 0.00 0.00 33.50 33.12 2jon n PRO 7 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jon s LYS 8 N -3.96 1.98 0.36 0.54 -0.14 -1.26 -5.11 119.74 112.14 2jon s LYS 8 Ca 0.28 -0.46 -0.27 0.00 -1.36 0.00 0.00 55.97 54.15 2jon s LYS 8 Cb -0.03 -1.76 -0.12 0.00 -1.68 0.00 0.00 37.83 34.24 2jon s LYS 8 CO 0.21 -0.12 1.29 0.00 -0.76 0.00 0.00 175.35 175.97 2jon n ALA 9 N 4.39 1.32 -3.46 5.17 0.00 -1.26 -5.00 120.51 121.66 2jon n ALA 9 Ca -0.18 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2jon n ALA 9 Cb 0.51 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 2jon n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon s ALA 10 N -1.12 -1.67 0.00 0.00 0.00 -1.26 -5.13 121.76 112.58 2jon s ALA 10 Ca 0.57 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2jon s ALA 10 Cb -0.55 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2jon s ALA 10 CO 0.61 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.20 2jon n GLY 11 N 0.23 4.56 3.30 0.00 0.00 -1.26 -5.12 105.19 106.90 2jon n GLY 11 Ca -0.18 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 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 0.65 -0.06 -0.26 1.61 0.01 -1.26 -4.67 113.70 109.72 2jon s SER 12 Ca 0.00 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 2jon s SER 12 Cb 0.00 0.43 0.15 0.00 0.21 0.00 0.00 66.02 66.81 2jon s SER 12 CO 0.00 -0.84 0.42 0.26 0.41 0.00 0.00 173.24 173.49 2jon s TRP 13 N -3.86 -1.01 -0.50 2.43 0.51 -1.25 -4.52 118.94 110.73 2jon s TRP 13 Ca 0.07 0.82 -0.28 0.00 -2.12 0.00 0.00 56.10 54.60 2jon s TRP 13 Cb 0.03 0.06 -0.00 0.00 -0.81 0.00 0.00 33.47 32.74 2jon s TRP 13 CO -0.08 -0.82 1.60 0.00 -0.51 0.00 0.00 176.95 177.13 2jon s VAL 15 N 6.84 0.01 -0.13 0.00 -7.23 -0.35 -4.79 120.40 114.75 2jon s VAL 15 Ca 0.63 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.43 2jon s VAL 15 Cb -0.14 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2jon s VAL 15 CO 0.27 -0.04 1.55 -2.16 -0.31 0.00 0.00 175.10 174.40 2jon s PRO 16 N -2.44 4.07 -0.33 4.82 0.04 -1.15 -3.49 135.00 136.53 2jon s PRO 16 Ca -0.05 1.90 -0.34 0.00 0.04 0.00 0.00 61.00 62.54 2jon s PRO 16 Cb -0.01 -3.95 -0.11 0.00 0.04 0.00 0.00 34.50 30.48 2jon s PRO 16 CO -0.01 -0.95 2.19 1.63 0.04 0.00 0.00 177.00 179.89 2jon n LYS 17 N 7.17 1.18 -2.03 4.56 5.02 -0.60 -4.81 118.16 128.65 2jon n LYS 17 Ca 0.17 0.32 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 2jon n LYS 17 Cb 0.44 -2.55 -0.06 0.00 -0.02 0.00 0.00 35.03 32.84 2jon n LYS 17 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jon n PRO 18 N 8.23 1.60 0.00 1.97 -0.04 -1.26 -4.04 135.00 141.47 2jon n PRO 18 Ca 0.40 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 2jon n PRO 18 Cb 0.25 -3.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.01 2jon n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jon n GLY 19 N 5.74 -1.56 3.77 0.55 0.00 -1.26 -5.18 105.19 107.24 2jon n GLY 19 Ca 0.45 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.88 2jon n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jon s VAL 20 N 0.00 0.00 -0.24 1.61 -7.23 -1.26 -5.11 120.40 108.18 2jon s VAL 20 Ca 0.00 -1.09 -0.36 0.00 -1.81 0.00 0.00 61.98 58.72 2jon s VAL 20 Cb 0.00 -2.77 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 2jon s VAL 20 CO 0.00 0.00 1.97 -1.20 -0.31 0.00 0.00 175.10 175.56 2jon n SER 21 N -1.32 2.70 -0.14 4.85 7.64 -1.26 -4.86 113.62 121.23 2jon n SER 21 Ca -0.07 0.77 -0.04 0.00 1.01 0.00 0.00 58.87 60.54 2jon n SER 21 Cb 0.60 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 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 10.07 -0.80 -1.45 6.43 3.32 -2.00 1.02 116.42 133.00 2jon h ASP 22 Ca -0.40 0.12 0.42 0.00 0.02 0.00 0.00 57.03 57.19 2jon h ASP 22 Cb 1.30 0.35 -0.06 0.00 0.22 0.00 0.00 39.33 41.14 2jon h ASP 22 CO 0.98 -0.10 1.25 -0.78 -1.72 0.00 0.00 179.24 178.87 2jon h ASP 23 N -0.02 0.00 0.21 6.45 3.58 -1.98 0.53 116.42 125.18 2jon h ASP 23 Ca 0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2jon h ASP 23 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2jon h ASP 23 CO -0.33 0.00 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.32 2jon h GLN 24 N 0.00 -0.27 0.05 0.28 4.15 0.74 -2.11 115.11 117.96 2jon h GLN 24 Ca 0.69 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 60.13 2jon h GLN 24 Cb 3.19 0.06 0.00 0.00 0.21 0.00 0.00 27.48 30.94 2jon h GLN 24 CO -0.01 -0.04 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.76 2jon h LEU 25 N -0.45 -0.06 -0.90 -2.39 -0.00 0.13 -3.25 115.31 108.39 2jon h LEU 25 Ca -0.03 -0.51 0.24 0.00 -0.00 0.00 0.00 57.88 57.58 2jon h LEU 25 Cb 0.35 0.01 -0.14 0.00 -0.00 0.00 0.00 40.66 40.88 2jon h LEU 25 CO 0.05 0.51 0.28 0.74 -0.00 0.00 0.00 178.44 180.02 2jon h THR 26 N -0.65 0.32 -1.53 0.22 2.02 -1.33 0.36 112.91 112.32 2jon h THR 26 Ca -0.01 -0.08 0.45 0.00 0.77 0.00 0.00 66.41 67.54 2jon h THR 26 Cb 0.57 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 2jon h THR 26 CO 0.01 0.04 1.10 1.23 0.37 0.00 0.00 175.52 178.27 2jon h GLY 27 N 0.23 0.10 0.26 2.16 0.00 -1.41 -1.57 103.07 102.85 2jon h GLY 27 Ca 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 2jon h GLY 27 CO -0.64 -0.03 -0.13 3.43 0.00 0.00 0.00 176.54 179.17 2jon h ASN 28 N 0.01 -0.30 -0.91 0.19 2.35 -0.44 -2.90 115.58 113.59 2jon h ASN 28 Ca 0.74 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 56.69 2jon h ASN 28 Cb 2.92 0.08 -0.17 0.00 0.05 0.00 0.00 38.32 41.19 2jon h ASN 28 CO -0.04 -0.18 -0.22 -0.38 -1.65 0.00 0.00 177.43 174.97 2jon n ILE 29 N -3.16 -0.38 -0.24 2.81 5.41 -0.61 0.13 119.36 123.32 2jon n ILE 29 Ca -0.04 2.08 0.03 0.00 1.00 0.00 0.00 62.75 65.82 2jon n ILE 29 Cb 0.14 -2.89 0.16 0.00 -0.71 0.00 0.00 39.64 36.34 2jon n ILE 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2jon h ASN 30 N 0.00 0.25 0.14 4.38 -0.73 -1.53 0.45 115.58 118.54 2jon h ASN 30 Ca 0.44 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.71 2jon h ASN 30 Cb 0.68 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.36 2jon h ASN 30 CO -0.93 0.11 -0.07 0.22 -0.37 0.00 0.00 177.43 176.39 2jon h TYR 31 N 0.43 -0.17 -0.99 0.67 3.20 0.13 -3.28 116.97 116.95 2jon h TYR 31 Ca 0.38 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.44 2jon h TYR 31 Cb 0.55 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.78 2jon h TYR 31 CO -0.17 0.27 0.61 0.00 -1.64 0.00 0.00 178.16 177.23 2jon h ALA 32 N -0.35 1.78 0.00 1.82 0.00 -0.15 0.39 119.26 122.75 2jon h ALA 32 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jon h ALA 32 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jon h ALA 32 CO 0.03 -0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.30 2jon n SER 34 N -1.79 3.04 -0.11 0.00 7.64 0.14 -4.38 113.62 118.16 2jon n SER 34 Ca -0.01 -2.85 -0.21 0.00 1.01 0.00 0.00 58.87 56.82 2jon n SER 34 Cb 0.17 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.75 0.55 0.00 1.43 1.13 0.24 -5.09 117.38 114.89 2jon n GLN 35 Ca 0.16 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 2jon n GLN 35 Cb 0.69 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 1.42 -1.34 0.50 1.08 0.00 -1.25 -4.92 105.19 100.68 2jon n GLY 36 Ca -0.33 0.48 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.19 -0.06 -0.61 -0.00 -1.26 -3.95 119.36 113.67 2jon n ILE 37 Ca 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 62.75 62.62 2jon n ILE 37 Cb 0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 39.64 39.26 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 0.32 0.00 -3.27 7.28 5.19 -1.92 -3.41 116.42 120.61 2jon h ASP 38 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 2jon h ASP 38 Cb 0.50 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.96 2jon h ASP 38 CO 0.03 0.59 1.07 0.00 -3.12 0.00 0.00 179.24 177.82 2jon n GLY 40 N 5.09 2.07 0.00 0.00 0.00 -1.26 -4.90 105.19 106.18 2jon n GLY 40 Ca 0.17 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.09 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 -1.10 0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.60 0.28 -2.81 0.52 -5.35 -1.25 -4.77 119.36 105.39 2jon n ILE 42 Ca 0.02 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 2jon n ILE 42 Cb 0.01 -0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 37.51 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 -1.34 4.29 0.98 6.28 -0.21 -1.21 -4.70 119.66 123.75 2jon s GLN 43 Ca 0.06 1.14 -0.12 0.00 0.02 0.00 0.00 55.36 56.46 2jon s GLN 43 Cb 0.05 -3.59 0.18 0.00 1.00 0.00 0.00 33.01 30.64 2jon s GLN 43 CO 0.02 -0.42 1.09 -1.25 -2.12 0.00 0.00 175.29 172.61 2jon s PRO 44 N 2.46 0.59 -0.03 2.91 0.04 -1.26 -5.02 135.00 134.69 2jon s PRO 44 Ca 0.41 0.58 0.01 0.00 0.04 0.00 0.00 61.00 62.04 2jon s PRO 44 Cb -0.16 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2jon s PRO 44 CO 0.11 -2.64 -0.01 0.41 0.04 0.00 0.00 177.00 174.91 2jon n GLY 45 N -1.09 -0.08 0.00 0.56 0.00 -1.26 -5.04 105.19 98.27 2jon n GLY 45 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jon n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jon n GLY 46 N 3.12 1.84 0.08 -0.02 0.00 -1.26 -5.02 105.19 103.93 2jon n GLY 46 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.97 -0.07 4.61 0.00 -1.97 -3.37 119.26 117.50 2jon h ALA 47 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jon h ALA 47 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jon h ALA 47 CO 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 178.29 2jon h PHE 49 N 0.43 0.26 -3.33 0.00 3.57 -1.96 -3.40 116.94 112.50 2jon h PHE 49 Ca 0.00 0.02 -0.59 0.00 3.53 0.00 0.00 57.97 60.93 2jon h PHE 49 Cb 0.70 -0.06 -0.11 0.00 2.79 0.00 0.00 35.95 39.27 2jon h PHE 49 CO 0.07 0.11 -0.34 -1.21 -2.23 0.00 0.00 178.31 174.71 2jon s GLU 50 N -6.16 4.23 0.56 1.11 0.41 -1.26 -0.91 118.70 116.68 2jon s GLU 50 Ca -0.13 0.05 -0.19 0.00 -0.41 0.00 0.00 54.97 54.29 2jon s GLU 50 Cb 0.12 -3.45 -0.05 0.00 -1.78 0.00 0.00 34.13 28.97 2jon s GLU 50 CO 0.71 0.20 1.13 -1.25 -0.49 0.00 0.00 175.26 175.56 2jon s PRO 51 N 0.61 3.30 -0.22 0.39 0.04 -1.26 -5.06 135.00 132.79 2jon s PRO 51 Ca 0.15 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 2jon s PRO 51 Cb -0.13 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2jon s PRO 51 CO 0.04 -0.89 -0.08 0.54 0.04 0.00 0.00 177.00 176.65 2jon s ASN 52 N -1.86 4.10 0.76 6.66 2.20 -0.09 -5.07 114.94 121.64 2jon s ASN 52 Ca 0.72 -0.62 -0.09 0.00 -0.94 0.00 0.00 52.86 51.93 2jon s ASN 52 Cb -0.23 -1.67 0.07 0.00 -2.00 0.00 0.00 41.25 37.42 2jon s ASN 52 CO 0.28 -0.06 1.10 -0.89 -2.94 0.00 0.00 177.10 174.59 2jon s THR 53 N 1.39 2.14 0.04 0.54 2.01 -1.26 -4.97 115.64 115.52 2jon s THR 53 Ca 0.04 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.64 2jon s THR 53 Cb -0.15 -3.00 -0.17 0.00 0.01 0.00 0.00 72.50 69.19 2jon s THR 53 CO -0.05 0.00 1.44 0.58 -0.69 0.00 0.00 174.62 175.90 2jon h VAL 54 N -0.83 0.84 0.00 3.82 2.07 -1.99 -2.50 116.25 117.66 2jon h VAL 54 Ca -0.45 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2jon h VAL 54 Cb 1.32 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2jon h VAL 54 CO 0.62 0.10 0.00 2.29 0.02 0.00 0.00 177.57 180.60 2jon n LYS 55 N -5.12 0.89 -0.29 1.57 0.00 -1.26 -4.05 118.16 109.90 2jon n LYS 55 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.30 2jon n LYS 55 Cb 0.21 -1.16 0.23 0.00 -0.00 0.00 0.00 35.03 34.31 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 2.45 1.26 -0.47 0.58 0.00 -1.82 -0.66 119.26 120.60 2jon h ALA 56 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2jon h ALA 56 Cb 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2jon h ALA 56 CO 0.00 -0.18 0.15 0.45 0.00 0.00 0.00 179.25 179.67 2jon h HIS 57 N 0.52 0.26 -0.77 0.00 3.86 -1.82 -1.30 115.15 115.91 2jon h HIS 57 Ca 0.47 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.72 2jon h HIS 57 Cb 0.74 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 2jon h HIS 57 CO -0.12 0.08 0.51 0.00 0.86 0.00 0.00 177.93 179.25 2jon h ALA 58 N 1.33 1.48 -0.57 2.45 0.00 -1.45 -1.78 119.26 120.71 2jon h ALA 58 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jon h ALA 58 Cb 0.25 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jon h ALA 58 CO -0.25 0.47 0.28 0.00 0.00 0.00 0.00 179.25 179.76 2jon h ALA 59 N 1.53 1.42 0.51 0.00 0.00 -0.72 0.56 119.26 122.56 2jon h ALA 59 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jon h ALA 59 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2jon h ALA 59 CO -0.07 0.46 -0.24 -0.92 0.00 0.00 0.00 179.25 178.48 2jon h TYR 60 N 0.80 -0.63 -0.61 0.00 5.03 -0.84 -3.28 116.97 117.45 2jon h TYR 60 Ca 0.20 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.58 2jon h TYR 60 Cb 0.08 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.50 2jon h TYR 60 CO 0.01 -0.39 0.26 -0.24 -1.32 0.00 0.00 178.16 176.48 2jon h VAL 61 N -1.06 0.83 -0.19 1.81 3.04 -1.43 0.01 116.25 119.26 2jon h VAL 61 Ca -0.07 -0.16 0.05 0.00 -1.01 0.00 0.00 66.70 65.51 2jon h VAL 61 Cb 0.52 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2jon h VAL 61 CO 0.11 0.09 0.74 0.24 -1.01 0.00 0.00 177.57 177.74 2jon h MET 62 N 0.47 0.00 0.51 4.17 2.86 -0.95 0.31 114.93 122.30 2jon h MET 62 Ca 0.30 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.91 2jon h MET 62 Cb 0.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.98 2jon h MET 62 CO -0.26 0.00 -0.25 -0.97 1.06 0.00 0.00 176.91 176.49 2jon h ASN 63 N 0.00 -0.58 0.01 1.22 -1.24 -1.04 -2.89 115.58 111.06 2jon h ASN 63 Ca 0.09 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.02 2jon h ASN 63 Cb 1.56 0.15 0.01 0.00 0.73 0.00 0.00 38.32 40.77 2jon h ASN 63 CO -0.00 -0.17 -0.32 0.17 -1.29 0.00 0.00 177.43 175.82 2jon h LEU 64 N -1.16 0.26 -1.00 0.34 -0.00 -1.12 -3.29 115.31 109.34 2jon h LEU 64 Ca -0.07 -0.82 0.28 0.00 -0.00 0.00 0.00 57.88 57.27 2jon h LEU 64 Cb 0.55 -0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 40.99 2jon h LEU 64 CO 0.12 1.05 0.57 0.22 -0.00 0.00 0.00 178.44 180.40 2jon h TYR 65 N -0.50 0.96 -0.11 0.17 5.03 -0.64 0.98 116.97 122.85 2jon h TYR 65 Ca -0.04 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jon h TYR 65 Cb 1.11 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2jon h TYR 65 CO 0.19 -0.07 0.05 -0.92 -1.32 0.00 0.00 178.16 176.09 2jon h TYR 66 N 0.44 0.14 -0.01 -3.82 5.03 -1.57 -0.63 116.97 116.54 2jon h TYR 66 Ca 0.69 0.00 0.00 0.00 2.58 0.00 0.00 58.73 62.00 2jon h TYR 66 Cb 1.45 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.69 2jon h TYR 66 CO -0.01 0.11 -0.35 1.04 -1.32 0.00 0.00 178.16 177.62 2jon n GLN 67 N -4.50 1.18 -0.00 1.82 6.02 0.31 -1.51 117.38 120.71 2jon n GLN 67 Ca -0.01 -0.89 -0.13 0.00 -0.01 0.00 0.00 57.00 55.95 2jon n GLN 67 Cb 0.10 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 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 2.18 -0.03 0.48 1.08 -0.00 0.81 -3.35 115.15 116.32 2jon h HIS 68 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2jon h HIS 68 Cb 0.68 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.10 2jon h HIS 68 CO 0.00 0.44 -0.23 0.00 -0.00 0.00 0.00 177.93 178.14 2jon h ALA 69 N 0.46 -0.64 0.00 5.26 0.00 -1.74 -3.45 119.26 119.14 2jon h ALA 69 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jon h ALA 69 Cb 0.48 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2jon h ALA 69 CO 0.00 -0.66 -0.01 0.41 0.00 0.00 0.00 179.25 178.99 2jon n GLY 70 N -0.23 -0.16 3.34 0.00 0.00 -1.26 -4.98 105.19 101.90 2jon n GLY 70 Ca -0.10 0.00 -0.24 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 -3.89 -3.26 1.61 1.74 -0.57 -4.96 116.66 107.33 2jon n ARG 71 Ca -0.01 0.58 -0.19 0.00 -0.77 0.00 0.00 57.85 57.46 2jon n ARG 71 Cb 0.17 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.27 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 -2.76 5.42 0.47 0.55 0.01 -1.24 -4.94 114.94 112.45 2jon s ASN 72 Ca 0.40 -0.54 0.27 0.00 -0.71 0.00 0.00 52.86 52.28 2jon s ASN 72 Cb -0.20 -0.65 1.01 0.00 0.41 0.00 0.00 41.25 41.81 2jon s ASN 72 CO 0.49 -0.70 1.86 0.77 -1.51 0.00 0.00 177.10 178.02 2jon h SER 73 N 0.82 0.00 -0.00 -1.22 4.64 -1.93 -2.46 113.55 113.40 2jon h SER 73 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2jon h SER 73 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jon h SER 73 CO 0.50 0.15 0.00 -2.67 -0.87 0.00 0.00 176.83 173.94 2jon n TRP 74 N -3.28 0.00 0.67 4.77 2.14 -1.26 -3.34 117.44 117.15 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 0.40 0.00 0.43 0.00 -0.81 0.00 0.00 31.31 31.33 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 -0.88 0.04 -4.46 -0.67 5.15 -0.93 -4.55 115.26 108.97 2jon n ASN 75 Ca 0.22 0.51 -0.43 0.00 -0.60 0.00 0.00 54.58 54.27 2jon n ASN 75 Cb 0.12 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.80 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 6.93 1.42 0.00 0.00 8.00 -1.26 -4.80 116.55 126.83 2jon n ASP 77 Ca -0.04 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.16 2jon n ASP 77 Cb 0.45 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2jon n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jon n PHE 78 N 0.04 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.56 2jon n PHE 78 Ca 0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.49 2jon n PHE 78 Cb 0.11 -0.40 0.01 0.00 -0.01 0.00 0.00 39.48 39.19 2jon n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jon s SER 79 N -2.05 -0.01 0.00 4.37 0.15 -1.26 -4.82 113.70 110.08 2jon s SER 79 Ca 0.00 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.42 2jon s SER 79 Cb 0.00 0.24 0.47 0.00 -1.71 0.00 0.00 66.02 65.02 2jon s SER 79 CO 0.00 -0.47 1.04 0.00 1.20 0.00 0.00 173.24 175.01 2jon n GLN 80 N -0.79 0.20 -0.13 5.44 6.02 -1.26 -2.51 117.38 124.35 2jon n GLN 80 Ca 0.00 0.09 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.12 1.53 0.96 5.09 -2.24 -1.26 -4.33 114.28 112.91 2jon n THR 81 Ca 0.05 -0.36 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2jon n THR 81 Cb 0.05 -1.84 0.01 0.00 -2.10 0.00 0.00 70.33 66.44 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon n ALA 82 N -3.95 2.54 -1.98 6.98 0.00 -1.04 -1.56 120.51 121.50 2jon n ALA 82 Ca -0.49 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 2jon n ALA 82 Cb 0.87 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 19.44 2jon n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jon n THR 83 N 0.18 0.00 -1.90 0.00 5.66 -1.17 -2.95 114.28 114.10 2jon n THR 83 Ca 0.01 -0.84 -0.42 0.00 -3.05 0.00 0.00 64.05 59.76 2jon n THR 83 Cb 0.36 -1.42 -0.03 0.00 -1.55 0.00 0.00 70.33 67.70 2jon n THR 83 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jon s LEU 84 N 0.00 3.45 0.83 1.09 1.43 -1.26 -1.21 118.68 123.01 2jon s LEU 84 Ca 0.49 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 2jon s LEU 84 Cb -0.02 -3.27 0.09 0.00 0.03 0.00 0.00 46.19 43.02 2jon s LEU 84 CO 0.34 -1.96 1.15 0.28 0.23 0.00 0.00 176.35 176.39 2jon s THR 85 N 7.94 2.25 0.00 5.49 -1.32 0.61 -4.80 115.64 125.82 2jon s THR 85 Ca 0.83 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2jon s THR 85 Cb -0.22 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 2jon s THR 85 CO 0.31 -0.11 0.00 0.59 -2.21 0.00 0.00 174.62 173.20 2jon n ASN 86 N -3.42 -1.19 -4.03 8.08 3.02 -1.26 -3.80 115.26 112.65 2jon n ASN 86 Ca 0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.30 2jon n ASN 86 Cb 0.60 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.44 0.00 -1.49 3.41 5.66 -1.26 -4.48 114.28 113.69 2jon n THR 87 Ca 0.00 -0.10 -0.45 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 1.50 1.98 0.00 1.09 4.05 -1.26 -4.77 115.26 117.85 2jon n ASN 88 Ca -0.00 0.15 0.08 0.00 0.45 0.00 0.00 54.58 55.25 2jon n ASN 88 Cb 0.63 -1.31 0.44 0.00 1.23 0.00 0.00 39.78 40.77 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 8.47 0.41 -1.47 1.20 -0.04 -1.26 -4.79 135.00 137.52 2jon n PRO 89 Ca 0.43 0.04 -0.48 0.00 -0.04 0.00 0.00 63.50 63.45 2jon n PRO 89 Cb 0.29 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 2jon n PRO 89 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jon n SER 90 N -1.08 2.15 0.15 3.54 3.41 -1.26 -4.79 113.62 115.74 2jon n SER 90 Ca 0.10 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 2jon n SER 90 Cb 0.07 -1.30 0.20 0.00 -0.26 0.00 0.00 64.21 62.92 2jon n SER 90 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 2jon h TYR 91 N 13.28 0.00 0.00 7.33 -0.00 -1.87 -3.49 116.97 132.22 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 1.19 -0.49 0.28 0.10 0.00 -1.26 -4.98 105.19 100.04 2jon n GLY 92 Ca 0.04 0.65 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 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 1.09 -1.44 4.61 0.00 -2.02 -3.39 119.26 118.11 2jon h ALA 93 Ca 0.00 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 2jon h ALA 93 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 2jon h ALA 93 CO 0.00 0.57 1.05 0.00 0.00 0.00 0.00 179.25 180.87 2jon s ASN 95 N 3.73 6.35 0.31 0.00 2.20 -1.26 -3.83 114.94 122.44 2jon s ASN 95 Ca 0.39 0.31 -0.03 0.00 -0.94 0.00 0.00 52.86 52.59 2jon s ASN 95 Cb -0.08 -1.98 -0.04 0.00 -2.00 0.00 0.00 41.25 37.15 2jon s ASN 95 CO 0.19 0.22 0.55 -0.36 -2.94 0.00 0.00 177.10 174.75 2jon s PHE 96 N -1.40 3.49 0.03 1.54 0.40 -1.26 -5.00 117.98 115.77 2jon s PHE 96 Ca 0.31 0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 56.87 2jon s PHE 96 Cb -0.13 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 2jon s PHE 96 CO 0.23 0.16 1.42 -1.25 0.70 0.00 0.00 175.22 176.48 2jon s PRO 97 N -3.80 4.28 0.00 0.24 0.04 -1.26 -4.90 135.00 129.60 2jon s PRO 97 Ca 0.42 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.51 2jon s PRO 97 Cb -0.10 -3.52 0.05 0.00 0.04 0.00 0.00 34.50 30.97 2jon s PRO 97 CO 0.32 -0.57 0.84 -1.13 0.04 0.00 0.00 177.00 176.51 2jon n SER 98 N 5.16 1.77 0.00 6.66 3.41 -1.26 -3.83 113.62 125.52 2jon n SER 98 Ca 0.13 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2jon n SER 98 Cb 0.43 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.04 0.26 3.61 5.00 0.00 -1.26 -4.71 105.19 108.05 2jon n GLY 99 Ca 0.02 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.00 6.75 0.00 1.61 0.01 -1.26 -5.12 113.70 111.68 2jon s SER 100 Ca 0.00 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2jon s SER 100 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2jon s SER 100 CO 0.00 -0.98 0.00 -0.46 0.41 0.00 0.00 173.24 172.21