#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 -0.02 0.10 0.00 -1.32 -1.26 -5.17 115.64 107.97 2jon s THR 2 Ca 0.00 0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.53 2jon s THR 2 Cb 0.00 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 2jon s THR 2 CO 0.00 0.03 0.09 -0.81 -2.21 0.00 0.00 174.62 171.71 2jon n PRO 3 N 3.75 -1.19 -1.16 7.08 -0.04 -1.26 -4.97 135.00 137.20 2jon n PRO 3 Ca -0.20 -0.14 -0.35 0.00 -0.04 0.00 0.00 63.50 62.77 2jon n PRO 3 Cb 0.56 -0.13 0.09 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.70 1.62 -2.07 0.52 -2.24 -1.26 -4.79 114.28 103.37 2jon n THR 4 Ca 0.01 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.19 2jon n THR 4 Cb 0.05 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.22 2.49 0.03 -0.78 0.04 -1.26 -4.87 135.00 127.42 2jon s PRO 5 Ca 0.66 -1.19 -0.03 0.00 0.04 0.00 0.00 61.00 60.48 2jon s PRO 5 Cb -0.31 -5.25 -0.02 0.00 0.04 0.00 0.00 34.50 28.96 2jon s PRO 5 CO 0.58 -4.01 0.03 0.95 0.04 0.00 0.00 177.00 174.59 2jon s THR 6 N 11.06 0.13 0.49 1.26 -4.23 -1.26 -5.17 115.64 117.92 2jon s THR 6 Ca 0.68 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.02 2jon s THR 6 Cb -0.01 -0.69 0.12 0.00 1.34 0.00 0.00 72.50 73.26 2jon s THR 6 CO 0.14 -0.60 0.43 -0.81 -0.54 0.00 0.00 174.62 173.24 2jon n PRO 7 N 1.07 -1.87 -2.22 3.99 -0.04 -1.26 -4.91 135.00 129.75 2jon n PRO 7 Ca -0.21 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.14 2jon n PRO 7 Cb 0.57 -0.65 -0.02 0.00 -0.04 0.00 0.00 33.50 33.36 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 -3.98 3.42 0.07 0.54 3.01 -1.26 -4.96 119.74 116.58 2jon s LYS 8 Ca 0.28 1.03 -0.31 0.00 -1.01 0.00 0.00 55.97 55.97 2jon s LYS 8 Cb -0.03 -4.11 -0.07 0.00 -1.01 0.00 0.00 37.83 32.61 2jon s LYS 8 CO 0.22 -1.76 1.43 0.00 0.51 0.00 0.00 175.35 175.75 2jon s ALA 9 N 6.15 3.60 1.09 5.17 0.00 -1.26 -4.99 121.76 131.53 2jon s ALA 9 Ca 0.67 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.55 2jon s ALA 9 Cb -0.16 -3.58 0.20 0.00 0.00 0.00 0.00 23.12 19.58 2jon s ALA 9 CO 0.32 -0.78 0.80 0.00 0.00 0.00 0.00 175.76 176.10 2jon n ALA 10 N 4.63 -2.69 -0.95 0.00 0.00 -1.26 -4.88 120.51 115.37 2jon n ALA 10 Ca 0.13 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.21 2jon n ALA 10 Cb 0.42 -1.93 0.03 0.00 0.00 0.00 0.00 19.45 17.97 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 1.09 -3.95 3.55 0.00 0.00 -1.26 -5.01 105.19 99.63 2jon n GLY 11 Ca 0.05 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.90 -0.68 -0.06 1.61 0.01 -1.26 -4.65 113.70 107.77 2jon s SER 12 Ca 0.39 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 58.94 2jon s SER 12 Cb -0.22 1.32 0.03 0.00 0.21 0.00 0.00 66.02 67.36 2jon s SER 12 CO 0.72 -0.23 0.03 0.26 0.41 0.00 0.00 173.24 174.43 2jon s TRP 13 N 0.38 0.37 -0.61 2.43 0.51 -1.25 -4.68 118.94 116.10 2jon s TRP 13 Ca -0.00 0.02 -0.22 0.00 -2.12 0.00 0.00 56.10 53.77 2jon s TRP 13 Cb -0.05 -0.65 0.07 0.00 -0.81 0.00 0.00 33.47 32.03 2jon s TRP 13 CO 0.00 -0.27 0.89 0.00 -0.51 0.00 0.00 176.95 177.06 2jon s VAL 15 N 3.71 0.06 0.06 0.00 -7.23 -0.39 -4.78 120.40 111.82 2jon s VAL 15 Ca 0.22 -0.47 -0.31 0.00 -1.81 0.00 0.00 61.98 59.61 2jon s VAL 15 Cb -0.17 -0.83 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 2jon s VAL 15 CO 0.12 -0.26 1.40 -2.16 -0.31 0.00 0.00 175.10 173.89 2jon s PRO 16 N -1.95 4.30 -0.28 4.82 0.04 -1.26 -3.09 135.00 137.59 2jon s PRO 16 Ca -0.09 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.02 -3.41 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 2jon s PRO 16 CO 0.01 -0.50 2.07 1.63 0.04 0.00 0.00 177.00 180.25 2jon n LYS 17 N 4.62 1.37 -2.04 4.56 5.02 -1.17 -4.83 118.16 125.69 2jon n LYS 17 Ca 0.12 0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 2jon n LYS 17 Cb 0.43 -2.50 -0.05 0.00 -0.02 0.00 0.00 35.03 32.89 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 5.43 2.56 0.00 1.97 0.04 -1.26 -2.96 135.00 140.78 2jon s PRO 18 Ca 1.04 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2jon s PRO 18 Cb -0.82 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 28.75 2jon s PRO 18 CO 0.51 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.66 2jon n GLY 19 N 6.69 0.39 3.51 0.56 0.00 -1.26 -5.15 105.19 109.93 2jon n GLY 19 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.57 1.61 0.31 -1.15 -4.79 118.33 112.74 2jon n VAL 20 Ca 0.00 -0.29 -0.51 0.00 -0.01 0.00 0.00 64.34 63.53 2jon n VAL 20 Cb 0.00 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 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 -4.35 2.61 -0.12 4.52 7.64 -1.26 -4.81 113.62 117.85 2jon n SER 21 Ca 0.06 0.67 -0.03 0.00 1.01 0.00 0.00 58.87 60.57 2jon n SER 21 Cb 0.54 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 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 8.32 -0.31 -0.35 6.43 9.92 -1.26 0.23 116.55 139.52 2jon n ASP 22 Ca 0.33 0.91 0.26 0.00 -0.53 0.00 0.00 54.79 55.77 2jon n ASP 22 Cb 0.24 -0.26 0.51 0.00 -0.64 0.00 0.00 41.12 40.98 2jon n ASP 22 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2jon h ASP 23 N 0.00 0.46 -0.00 -2.24 3.32 -1.98 0.36 116.42 116.34 2jon h ASP 23 Ca 0.05 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.29 2jon h ASP 23 Cb 0.12 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2jon h ASP 23 CO -0.28 -0.16 -0.06 -0.61 -1.72 0.00 0.00 179.24 176.41 2jon h GLN 24 N 0.26 -0.10 -0.09 3.56 5.75 0.25 -1.96 115.11 122.77 2jon h GLN 24 Ca 0.75 0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 59.12 2jon h GLN 24 Cb 1.85 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.41 2jon h GLN 24 CO -0.57 -0.07 -0.56 -0.07 -2.65 0.00 0.00 178.83 174.90 2jon h LEU 25 N -0.11 0.32 -1.85 -2.39 -0.00 0.06 -3.00 115.31 108.34 2jon h LEU 25 Ca 0.03 -0.17 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2jon h LEU 25 Cb 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2jon h LEU 25 CO -0.07 0.81 0.13 0.74 -0.00 0.00 0.00 178.44 180.06 2jon h THR 26 N 0.22 1.01 -0.46 0.22 2.02 -0.10 -1.73 112.91 114.09 2jon h THR 26 Ca 0.00 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.23 2jon h THR 26 Cb 1.06 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2jon h THR 26 CO 0.09 0.04 0.33 1.23 0.37 0.00 0.00 175.52 177.57 2jon h GLY 27 N 0.20 0.11 0.14 2.16 0.00 -1.21 -2.99 103.07 101.47 2jon h GLY 27 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2jon h GLY 27 CO -0.01 0.02 -0.07 3.43 0.00 0.00 0.00 176.54 179.90 2jon h ASN 28 N 0.07 -0.16 -0.85 0.19 2.35 -1.48 -2.68 115.58 113.02 2jon h ASN 28 Ca 0.22 0.01 0.20 0.00 -0.55 0.00 0.00 56.30 56.18 2jon h ASN 28 Cb 0.78 0.04 -0.16 0.00 0.05 0.00 0.00 38.32 39.03 2jon h ASN 28 CO -0.02 -0.11 -0.10 -0.38 -1.65 0.00 0.00 177.43 175.18 2jon n ILE 29 N -2.54 -0.36 -0.15 2.81 5.41 -1.14 0.13 119.36 123.53 2jon n ILE 29 Ca -0.02 1.92 -0.03 0.00 1.00 0.00 0.00 62.75 65.62 2jon n ILE 29 Cb 0.07 -2.73 0.06 0.00 -0.71 0.00 0.00 39.64 36.34 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 0.04 0.15 4.38 4.21 -1.50 0.34 115.58 123.20 2jon h ASN 30 Ca 0.46 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 58.05 2jon h ASN 30 Cb 0.85 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2jon h ASN 30 CO -0.84 0.05 -0.07 0.22 -1.29 0.00 0.00 177.43 175.50 2jon h TYR 31 N 0.25 -0.18 -0.83 1.19 5.03 0.15 -3.27 116.97 119.31 2jon h TYR 31 Ca 0.24 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.71 2jon h TYR 31 Cb 0.31 0.06 -0.10 0.00 1.55 0.00 0.00 36.73 38.55 2jon h TYR 31 CO -0.21 0.27 0.39 0.00 -1.32 0.00 0.00 178.16 177.28 2jon h ALA 32 N -0.17 1.24 0.00 1.82 0.00 -0.16 0.45 119.26 122.45 2jon h ALA 32 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jon h ALA 32 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jon h ALA 32 CO 0.03 -0.18 0.15 0.00 0.00 0.00 0.00 179.25 179.26 2jon n SER 34 N -1.62 4.01 -0.13 0.00 3.41 0.16 -4.32 113.62 115.13 2jon n SER 34 Ca -0.00 -2.81 -0.28 0.00 -0.26 0.00 0.00 58.87 55.51 2jon n SER 34 Cb 0.16 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 2jon n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jon n GLN 35 N -0.11 0.59 0.00 4.33 1.13 0.27 -5.09 117.38 118.49 2jon n GLN 35 Ca 0.21 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2jon n GLN 35 Cb 0.85 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.66 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 1.29 -0.61 0.47 1.08 0.00 -1.25 -4.91 105.19 101.26 2jon n GLY 36 Ca -0.50 0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.12 -0.07 -0.61 -5.35 -1.26 -3.89 119.36 108.30 2jon n ILE 37 Ca 0.00 -0.06 -0.05 0.00 -0.27 0.00 0.00 62.75 62.37 2jon n ILE 37 Cb 0.00 -0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 37.50 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 0.20 0.00 -3.00 7.28 5.19 -1.90 -3.42 116.42 120.77 2jon h ASP 38 Ca 0.00 -0.01 -0.56 0.00 -0.62 0.00 0.00 57.03 55.84 2jon h ASP 38 Cb 0.47 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 2jon h ASP 38 CO 0.02 0.75 0.80 0.00 -3.12 0.00 0.00 179.24 177.69 2jon n GLY 40 N 3.48 2.26 0.00 0.00 0.00 -1.26 -4.82 105.19 104.85 2jon n GLY 40 Ca 0.12 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.12 1.61 -0.04 -1.26 -3.17 135.00 132.52 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 -1.29 0.06 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.79 0.35 -2.83 0.52 -5.35 -1.24 -4.75 119.36 105.28 2jon n ILE 42 Ca 0.07 -0.19 -0.34 0.00 -0.27 0.00 0.00 62.75 62.02 2jon n ILE 42 Cb 0.03 -0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 37.50 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 -1.38 4.32 0.60 6.28 -0.21 -1.19 -4.60 119.66 123.49 2jon s GLN 43 Ca 0.08 1.16 -0.17 0.00 0.02 0.00 0.00 55.36 56.44 2jon s GLN 43 Cb 0.06 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 2jon s GLN 43 CO 0.03 0.07 1.12 -1.25 -2.12 0.00 0.00 175.29 173.14 2jon s PRO 44 N -2.84 3.07 -0.26 2.91 0.04 -1.26 -5.01 135.00 131.66 2jon s PRO 44 Ca 0.58 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2jon s PRO 44 Cb -0.12 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 2jon s PRO 44 CO 0.16 -1.05 -0.21 0.41 0.04 0.00 0.00 177.00 176.35 2jon n GLY 45 N -0.20 -0.51 0.00 0.56 0.00 -1.26 -5.03 105.19 98.76 2jon n GLY 45 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jon n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jon n GLY 46 N 1.48 -0.55 0.01 -0.02 0.00 -1.26 -5.05 105.19 99.80 2jon n GLY 46 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.06 4.61 0.00 -1.97 -3.44 119.26 118.40 2jon h ALA 47 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jon h ALA 47 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jon h ALA 47 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2jon h PHE 49 N 0.44 -1.66 -3.25 0.00 3.57 -1.97 -3.38 116.94 110.70 2jon h PHE 49 Ca 0.00 0.10 -0.60 0.00 3.53 0.00 0.00 57.97 61.01 2jon h PHE 49 Cb 0.45 0.82 -0.10 0.00 2.79 0.00 0.00 35.95 39.91 2jon h PHE 49 CO 0.04 -0.43 -0.35 -1.21 -2.23 0.00 0.00 178.31 174.13 2jon s GLU 50 N -5.65 4.19 0.63 1.11 0.41 -1.26 -1.55 118.70 116.58 2jon s GLU 50 Ca -0.13 0.06 -0.16 0.00 -0.41 0.00 0.00 54.97 54.32 2jon s GLU 50 Cb 0.11 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.04 2jon s GLU 50 CO 0.63 0.29 1.12 -1.25 -0.49 0.00 0.00 175.26 175.56 2jon s PRO 51 N 0.31 2.96 -0.19 0.39 0.04 -1.26 -5.06 135.00 132.19 2jon s PRO 51 Ca 0.16 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 2jon s PRO 51 Cb -0.13 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2jon s PRO 51 CO 0.04 -1.14 0.10 0.54 0.04 0.00 0.00 177.00 176.58 2jon s ASN 52 N -2.35 5.95 0.75 6.66 2.20 -0.59 -5.04 114.94 122.51 2jon s ASN 52 Ca 0.69 0.17 -0.09 0.00 -0.94 0.00 0.00 52.86 52.69 2jon s ASN 52 Cb -0.21 -2.03 0.07 0.00 -2.00 0.00 0.00 41.25 37.08 2jon s ASN 52 CO 0.37 0.19 1.09 0.42 -2.94 0.00 0.00 177.10 176.23 2jon s THR 53 N 0.28 2.15 0.00 0.54 -4.23 -1.26 -5.00 115.64 108.13 2jon s THR 53 Ca 0.06 -0.15 -0.25 0.00 -1.18 0.00 0.00 61.69 60.18 2jon s THR 53 Cb -0.12 -3.00 -0.14 0.00 1.34 0.00 0.00 72.50 70.58 2jon s THR 53 CO -0.01 -0.00 1.06 0.58 -0.54 0.00 0.00 174.62 175.71 2jon h VAL 54 N -0.81 0.14 -0.24 2.29 2.07 -1.99 -3.13 116.25 114.59 2jon h VAL 54 Ca -0.45 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jon h VAL 54 Cb 1.32 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2jon h VAL 54 CO 0.63 0.02 0.00 2.29 0.02 0.00 0.00 177.57 180.53 2jon n LYS 55 N -5.31 2.39 -0.13 1.57 0.00 -1.26 -4.40 118.16 111.02 2jon n LYS 55 Ca -0.11 -1.22 -0.05 0.00 -0.00 0.00 0.00 58.31 56.93 2jon n LYS 55 Cb 0.33 -1.69 0.01 0.00 -0.00 0.00 0.00 35.03 33.68 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 2.95 0.10 -0.67 0.58 0.00 -1.93 -2.11 119.26 118.18 2jon h ALA 56 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2jon h ALA 56 Cb 0.96 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 2jon h ALA 56 CO 0.16 -0.57 -0.50 0.45 0.00 0.00 0.00 179.25 178.79 2jon h HIS 57 N -0.13 -1.54 -1.00 0.00 3.86 -1.81 0.35 115.15 114.88 2jon h HIS 57 Ca 0.20 0.10 0.17 0.00 -1.16 0.00 0.00 60.37 59.68 2jon h HIS 57 Cb 0.44 0.76 -0.10 0.00 1.06 0.00 0.00 27.41 29.57 2jon h HIS 57 CO -0.45 -0.43 0.62 0.00 0.86 0.00 0.00 177.93 178.53 2jon h ALA 58 N 0.46 1.65 -0.25 2.45 0.00 -1.74 0.16 119.26 121.99 2jon h ALA 58 Ca 0.16 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jon h ALA 58 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jon h ALA 58 CO -0.75 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 178.51 2jon h ALA 59 N 1.61 1.51 0.38 0.00 0.00 0.11 -0.80 119.26 122.08 2jon h ALA 59 Ca 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2jon h ALA 59 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jon h ALA 59 CO -0.34 0.35 -0.18 -0.92 0.00 0.00 0.00 179.25 178.16 2jon h TYR 60 N 0.37 -0.48 -0.68 0.00 5.03 0.84 -3.24 116.97 118.81 2jon h TYR 60 Ca 0.08 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.52 2jon h TYR 60 Cb 0.27 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 2jon h TYR 60 CO 0.01 -0.30 0.46 -0.24 -1.32 0.00 0.00 178.16 176.77 2jon h VAL 61 N -0.79 0.81 -1.10 1.81 3.04 -1.44 -0.87 116.25 117.71 2jon h VAL 61 Ca -0.05 -0.12 0.32 0.00 -1.01 0.00 0.00 66.70 65.83 2jon h VAL 61 Cb 0.39 0.43 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 2jon h VAL 61 CO 0.09 0.06 0.96 0.24 -1.01 0.00 0.00 177.57 177.91 2jon h MET 62 N 0.35 0.00 0.57 4.17 2.86 -1.16 0.45 114.93 122.18 2jon h MET 62 Ca 0.33 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.94 2jon h MET 62 Cb 0.79 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.46 2jon h MET 62 CO -0.09 0.00 -0.27 -0.97 1.06 0.00 0.00 176.91 176.64 2jon h ASN 63 N 0.00 -0.65 -0.02 1.22 -1.24 -1.27 -1.68 115.58 111.94 2jon h ASN 63 Ca 0.52 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.54 2jon h ASN 63 Cb 2.44 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 41.65 2jon h ASN 63 CO -0.01 -0.32 -0.03 0.17 -1.29 0.00 0.00 177.43 175.95 2jon h LEU 64 N -1.04 0.07 -0.64 0.34 -0.00 -1.27 -3.20 115.31 109.56 2jon h LEU 64 Ca -0.08 -0.51 0.13 0.00 -0.00 0.00 0.00 57.88 57.42 2jon h LEU 64 Cb 0.58 -0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 41.13 2jon h LEU 64 CO 0.13 0.57 0.10 0.22 -0.00 0.00 0.00 178.44 179.45 2jon h TYR 65 N -0.43 0.14 -0.35 0.17 5.03 -0.31 0.46 116.97 121.67 2jon h TYR 65 Ca 0.00 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.46 2jon h TYR 65 Cb 0.55 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2jon h TYR 65 CO 0.10 -0.09 0.28 -0.92 -1.32 0.00 0.00 178.16 176.21 2jon h TYR 66 N 0.21 0.00 -0.02 -3.82 5.03 -1.32 0.25 116.97 117.30 2jon h TYR 66 Ca 0.34 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.65 2jon h TYR 66 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2jon h TYR 66 CO -0.29 0.00 -0.46 1.04 -1.32 0.00 0.00 178.16 177.13 2jon n GLN 67 N -4.21 1.26 -0.03 1.82 6.02 0.12 -1.50 117.38 120.86 2jon n GLN 67 Ca 0.06 -1.04 -0.17 0.00 -0.01 0.00 0.00 57.00 55.84 2jon n GLN 67 Cb 0.46 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 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 2.54 1.06 0.16 1.08 -0.00 0.33 -3.36 115.15 116.96 2jon h HIS 68 Ca 0.00 -0.45 -0.01 0.00 -0.00 0.00 0.00 60.37 59.91 2jon h HIS 68 Cb 0.77 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 2jon h HIS 68 CO 0.00 1.28 -0.08 0.00 -0.00 0.00 0.00 177.93 179.14 2jon h ALA 69 N 0.56 -0.21 0.00 5.26 0.00 -1.73 -3.46 119.26 119.68 2jon h ALA 69 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jon h ALA 69 Cb 1.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2jon h ALA 69 CO 0.15 -0.20 -0.02 0.41 0.00 0.00 0.00 179.25 179.59 2jon n GLY 70 N 1.21 0.23 3.96 0.00 0.00 -1.26 -4.99 105.19 104.34 2jon n GLY 70 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.02 -4.16 1.61 1.74 -0.56 -4.97 116.66 105.30 2jon n ARG 71 Ca -0.02 0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 57.37 2jon n ARG 71 Cb 0.22 -5.37 -0.07 0.00 -1.02 0.00 0.00 32.46 26.21 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 -3.41 4.40 0.48 0.55 0.01 -1.23 -4.96 114.94 110.79 2jon s ASN 72 Ca 0.62 -1.06 0.27 0.00 -0.71 0.00 0.00 52.86 51.98 2jon s ASN 72 Cb -0.31 -0.50 1.10 0.00 0.41 0.00 0.00 41.25 41.94 2jon s ASN 72 CO 0.85 -0.49 1.90 0.77 -1.51 0.00 0.00 177.10 178.61 2jon h SER 73 N 1.48 0.00 -0.01 -1.22 4.64 -1.93 -2.27 113.55 114.25 2jon h SER 73 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jon h SER 73 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jon h SER 73 CO 0.70 0.16 0.00 -2.67 -0.87 0.00 0.00 176.83 174.15 2jon n TRP 74 N -3.35 0.01 0.25 4.77 2.14 -1.26 -3.38 117.44 116.62 2jon n TRP 74 Ca -0.00 -0.01 0.14 0.00 2.07 0.00 0.00 57.50 59.71 2jon n TRP 74 Cb 0.38 0.00 0.48 0.00 -0.81 0.00 0.00 31.31 31.35 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 0.24 0.00 -2.70 -0.67 -1.24 -1.71 -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 0.05 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.00 2jon h ASN 75 CO 0.00 0.04 0.87 0.00 -1.29 0.00 0.00 177.43 177.06 2jon n ASP 77 N 8.60 2.23 0.07 0.00 8.00 -1.26 -4.80 116.55 129.40 2jon n ASP 77 Ca 0.03 -2.07 -0.03 0.00 0.71 0.00 0.00 54.79 53.42 2jon n ASP 77 Cb 0.48 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.43 -0.20 -2.30 1.24 -1.00 -1.86 -3.49 116.94 109.75 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.01 2jon h PHE 78 Cb 0.59 0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 2jon h PHE 78 CO 0.05 -0.12 0.71 -1.12 -1.61 0.00 0.00 178.31 176.23 2jon s SER 79 N -2.40 -0.01 0.00 2.17 0.01 -1.26 -4.80 113.70 107.41 2jon s SER 79 Ca -0.03 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 56.85 2jon s SER 79 Cb 0.00 0.35 0.43 0.00 0.21 0.00 0.00 66.02 67.02 2jon s SER 79 CO 0.09 -0.70 0.99 1.67 0.41 0.00 0.00 173.24 175.71 2jon n GLN 80 N -0.74 0.19 -0.10 12.44 7.27 -1.26 -2.57 117.38 132.60 2jon n GLN 80 Ca -0.01 0.08 -0.19 0.00 0.07 0.00 0.00 57.00 56.95 2jon n GLN 80 Cb 0.59 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.65 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jon n THR 81 N -1.11 1.51 -2.66 1.69 -2.24 -1.26 -4.78 114.28 105.43 2jon n THR 81 Ca 0.05 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2jon n THR 81 Cb 0.04 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 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 -2.48 2.93 0.34 6.98 0.00 -1.06 -3.04 121.76 125.43 2jon s ALA 82 Ca -0.28 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 2jon s ALA 82 Cb 0.07 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2jon s ALA 82 CO 0.50 -2.92 0.49 -0.08 0.00 0.00 0.00 175.76 173.74 2jon s THR 83 N 4.98 0.00 0.10 0.00 -1.32 -1.18 -4.44 115.64 113.78 2jon s THR 83 Ca 0.33 -1.57 -0.31 0.00 -1.21 0.00 0.00 61.69 58.94 2jon s THR 83 Cb -0.10 -2.63 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 2jon s THR 83 CO 0.17 0.00 1.58 -0.76 -2.21 0.00 0.00 174.62 173.39 2jon s LEU 84 N -3.22 4.36 0.38 9.08 1.02 -1.26 -1.26 118.68 127.78 2jon s LEU 84 Ca 0.30 2.48 0.08 0.00 0.02 0.00 0.00 54.13 57.00 2jon s LEU 84 Cb -0.01 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.61 2jon s LEU 84 CO 0.19 -0.83 0.35 0.28 0.02 0.00 0.00 176.35 176.37 2jon s THR 85 N 1.97 3.08 0.00 5.49 -1.32 0.13 -4.92 115.64 120.07 2jon s THR 85 Ca 0.71 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2jon s THR 85 Cb -0.40 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2jon s THR 85 CO 0.31 -0.08 0.00 0.59 -2.21 0.00 0.00 174.62 173.23 2jon n ASN 86 N -1.49 -1.14 -3.94 8.08 3.02 -1.26 -3.78 115.26 114.74 2jon n ASN 86 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.30 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.86 2jon n ASN 86 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jon n THR 87 N -2.32 0.00 -1.49 3.41 -2.24 -1.26 -4.44 114.28 105.93 2jon n THR 87 Ca 0.00 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 2jon n THR 87 Cb 0.00 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 2jon n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jon n ASN 88 N 1.16 1.98 0.00 3.42 4.05 -1.26 -4.77 115.26 119.84 2jon n ASN 88 Ca 0.01 0.16 0.07 0.00 0.45 0.00 0.00 54.58 55.27 2jon n ASN 88 Cb 0.52 -1.30 0.39 0.00 1.23 0.00 0.00 39.78 40.62 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 0.27 -1.52 1.20 -0.04 -1.26 -4.79 135.00 137.32 2jon n PRO 89 Ca 0.43 0.11 -0.50 0.00 -0.04 0.00 0.00 63.50 63.50 2jon n PRO 89 Cb 0.29 -1.50 -0.06 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 -1.22 2.44 0.15 3.54 3.41 -1.26 -4.80 113.62 115.87 2jon n SER 90 Ca 0.08 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 2jon n SER 90 Cb 0.10 -1.29 0.33 0.00 -0.26 0.00 0.00 64.21 63.09 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 11.66 0.00 0.00 7.33 -0.00 -1.87 -3.49 116.97 130.60 2jon h TYR 91 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 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 0.93 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.50 2jon n GLY 92 N 1.21 -0.30 0.40 0.10 0.00 -1.26 -4.96 105.19 100.38 2jon n GLY 92 Ca 0.05 0.41 0.20 0.00 0.00 0.00 0.00 46.02 46.67 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 2.20 -1.56 4.61 0.00 -2.03 -3.36 119.26 119.12 2jon h ALA 93 Ca 0.00 0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.39 2jon h ALA 93 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2jon h ALA 93 CO 0.00 -0.51 1.11 0.00 0.00 0.00 0.00 179.25 179.85 2jon s ASN 95 N 4.57 6.25 0.54 0.00 -0.87 -1.26 -3.91 114.94 120.27 2jon s ASN 95 Ca 0.51 0.28 -0.16 0.00 -1.57 0.00 0.00 52.86 51.93 2jon s ASN 95 Cb -0.11 -2.12 -0.06 0.00 -0.02 0.00 0.00 41.25 38.94 2jon s ASN 95 CO 0.23 0.14 1.01 -0.36 -2.57 0.00 0.00 177.10 175.55 2jon s PHE 96 N 0.50 3.34 -0.40 2.20 0.40 -1.26 -4.97 117.98 117.79 2jon s PHE 96 Ca 0.10 1.47 -0.28 0.00 -0.60 0.00 0.00 56.93 57.62 2jon s PHE 96 Cb -0.12 -2.84 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 2jon s PHE 96 CO 0.00 -0.60 1.73 -1.25 0.70 0.00 0.00 175.22 175.81 2jon s PRO 97 N -4.16 3.26 0.03 0.24 0.04 -1.26 -4.85 135.00 128.30 2jon s PRO 97 Ca 0.60 1.18 0.28 0.00 0.04 0.00 0.00 61.00 63.10 2jon s PRO 97 Cb -0.12 -4.20 1.13 0.00 0.04 0.00 0.00 34.50 31.36 2jon s PRO 97 CO 0.35 -1.96 1.88 -1.13 0.04 0.00 0.00 177.00 176.18 2jon n SER 98 N 10.43 0.15 -3.74 6.66 3.41 -1.26 -4.06 113.62 125.20 2jon n SER 98 Ca 0.21 0.47 -0.29 0.00 -0.26 0.00 0.00 58.87 59.01 2jon n SER 98 Cb 0.48 -0.50 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.47 -0.48 3.54 5.00 0.00 -1.26 -4.71 105.19 108.75 2jon n GLY 99 Ca 0.07 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.02 -0.65 0.00 1.61 0.01 -1.26 -4.63 113.70 105.76 2jon s SER 100 Ca 0.57 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2jon s SER 100 Cb -0.30 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.09 2jon s SER 100 CO 0.70 -0.29 0.00 -3.20 0.41 0.00 0.00 173.24 170.85