#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.00 0.00 0.00 4.01 -1.26 -5.18 118.16 115.73 3i20 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i20 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i20 n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3i20 n LYS 3 N 0.00 0.00 -2.71 1.97 0.00 -1.26 -5.14 118.16 111.02 3i20 n LYS 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 3i20 n LYS 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i20 n LYS 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i20 s VAL 4 N 1.24 4.84 0.00 3.15 1.01 -1.26 -4.85 120.40 124.54 3i20 s VAL 4 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.01 3i20 s VAL 4 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3i20 s VAL 4 CO 0.00 0.11 0.00 1.67 0.00 0.00 0.00 175.10 176.88 3i20 n GLN 5 N 4.30 0.00 0.00 2.72 7.27 -1.26 -5.12 117.38 125.29 3i20 n GLN 5 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3i20 n GLN 5 Cb 0.50 -0.19 0.00 0.00 2.41 0.00 0.00 30.24 32.96 3i20 n GLN 5 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i20 n ALA 6 N -2.38 0.00 0.00 1.69 0.00 -1.26 -4.69 120.51 113.87 3i20 n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 6 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3i20 n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3i20 n TYR 7 N 0.00 0.00 -3.16 0.00 0.18 -1.25 -2.74 117.16 110.19 3i20 n TYR 7 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3i20 n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3i20 n TYR 7 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 3i20 n VAL 8 N -0.43 0.00 -3.29 -3.48 0.24 -1.26 -4.87 118.33 105.24 3i20 n VAL 8 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3i20 n VAL 8 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 3i20 n VAL 8 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3i20 s LYS 9 N -0.65 0.42 -0.38 7.34 -2.85 -1.26 -4.17 119.74 118.19 3i20 s LYS 9 Ca 0.00 0.35 0.03 0.00 -1.00 0.00 0.00 55.97 55.35 3i20 s LYS 9 Cb 0.00 -0.23 0.16 0.00 -2.06 0.00 0.00 37.83 35.70 3i20 s LYS 9 CO 0.00 -0.90 0.36 -0.48 0.10 0.00 0.00 175.35 174.44 3i20 s LEU 10 N 2.60 0.27 0.00 2.77 0.05 -1.26 -5.03 118.68 118.08 3i20 s LEU 10 Ca 0.11 -1.94 0.00 0.00 0.05 0.00 0.00 54.13 52.35 3i20 s LEU 10 Cb -0.13 0.32 0.00 0.00 -2.05 0.00 0.00 46.19 44.33 3i20 s LEU 10 CO -0.25 -0.24 0.00 0.00 -0.55 0.00 0.00 176.35 175.31 3i20 n GLN 11 N 3.90 0.00 0.02 1.48 -0.00 -1.26 -4.88 117.38 116.64 3i20 n GLN 11 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 3i20 n GLN 11 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.69 3i20 n GLN 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3i20 n VAL 12 N 0.00 0.08 -3.88 -0.39 0.24 -1.26 -5.02 118.33 108.10 3i20 n VAL 12 Ca 0.00 0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 3i20 n VAL 12 Cb 0.00 -0.42 -0.12 0.00 -1.47 0.00 0.00 33.84 31.83 3i20 n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i20 s ALA 13 N -2.00 -0.16 -0.16 2.33 0.00 -1.26 -3.91 121.76 116.60 3i20 s ALA 13 Ca 0.00 -0.05 0.29 0.00 0.00 0.00 0.00 51.96 52.20 3i20 s ALA 13 Cb 0.00 -0.01 1.19 0.00 0.00 0.00 0.00 23.12 24.30 3i20 s ALA 13 CO 0.00 -0.11 1.87 0.00 0.00 0.00 0.00 175.76 177.51 3i20 h ALA 14 N 5.24 1.00 -0.71 0.00 0.00 -1.68 -3.16 119.26 119.95 3i20 h ALA 14 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3i20 h ALA 14 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3i20 h ALA 14 CO 0.43 0.00 0.45 0.78 0.00 0.00 0.00 179.25 180.91 3i20 h GLY 15 N 2.21 1.03 -6.34 0.00 0.00 -1.80 -3.17 103.07 94.99 3i20 h GLY 15 Ca 0.00 -0.34 -0.73 0.00 0.00 0.00 0.00 47.33 46.27 3i20 h GLY 15 CO 0.00 0.29 0.30 1.03 0.00 0.00 0.00 176.54 178.15 3i20 n MET 16 N -4.66 4.06 -1.69 4.80 2.81 -1.19 -4.95 117.12 116.29 3i20 n MET 16 Ca 0.08 -4.66 -0.39 0.00 -1.81 0.00 0.00 57.70 50.92 3i20 n MET 16 Cb 0.09 -2.40 0.04 0.00 -0.71 0.00 0.00 33.22 30.23 3i20 n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i20 n ALA 17 N 0.65 1.04 -3.77 3.04 0.00 -1.20 -3.65 120.51 116.62 3i20 n ALA 17 Ca 0.33 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 3i20 n ALA 17 Cb 0.34 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.58 3i20 n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i20 n ASN 18 N -0.53 -5.11 -4.82 0.00 5.15 -1.26 -4.99 115.26 103.70 3i20 n ASN 18 Ca 0.10 -1.06 -0.29 0.00 -0.60 0.00 0.00 54.58 52.74 3i20 n ASN 18 Cb 0.44 -2.91 0.11 0.00 -0.53 0.00 0.00 39.78 36.89 3i20 n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i20 s PRO 19 N -6.18 1.64 0.01 1.20 0.04 -1.24 -5.05 135.00 125.42 3i20 s PRO 19 Ca 0.44 0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 3i20 s PRO 19 Cb -0.18 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3i20 s PRO 19 CO 0.89 -1.86 -0.04 0.45 0.04 0.00 0.00 177.00 176.48 3i20 n SER 20 N -3.54 0.66 -0.25 6.66 2.88 -1.26 -3.46 113.62 115.30 3i20 n SER 20 Ca 0.07 0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 3i20 n SER 20 Cb 0.59 -0.22 0.05 0.00 -0.75 0.00 0.00 64.21 63.88 3i20 n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i20 h PRO 21 N -0.11 0.94 0.00 -1.46 0.11 -1.98 0.26 132.00 129.76 3i20 h PRO 21 Ca -0.04 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3i20 h PRO 21 Cb 0.64 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3i20 h PRO 21 CO -0.03 0.67 -0.10 -1.35 -0.21 0.00 0.00 178.00 176.98 3i20 h PRO 22 N 0.94 0.00 0.00 1.05 0.11 -2.02 -3.44 132.00 128.65 3i20 h PRO 22 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3i20 h PRO 22 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3i20 h PRO 22 CO -0.05 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.17 3i20 n VAL 23 N -3.24 0.00 0.00 3.15 0.24 -1.04 -5.02 118.33 112.43 3i20 n VAL 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i20 n VAL 23 Cb 0.36 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3i20 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i20 n GLY 24 N 1.24 2.11 0.30 7.63 0.00 0.05 -2.53 105.19 114.00 3i20 n GLY 24 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3i20 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i20 h PRO 25 N 0.00 0.84 0.00 1.61 0.11 -1.92 -2.98 132.00 129.66 3i20 h PRO 25 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3i20 h PRO 25 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3i20 h PRO 25 CO 0.00 0.75 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 3i20 h ALA 26 N 1.34 1.00 0.00 -0.75 0.00 -1.87 -3.04 119.26 115.93 3i20 h ALA 26 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i20 h ALA 26 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i20 h ALA 26 CO -0.00 0.00 0.00 1.37 0.00 0.00 0.00 179.25 180.62 3i20 h LEU 27 N 0.00 0.00 -5.78 0.00 8.10 -1.66 -3.41 115.31 112.56 3i20 h LEU 27 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.02 3i20 h LEU 27 Cb 0.63 0.00 -0.19 0.00 -0.44 0.00 0.00 40.66 40.66 3i20 h LEU 27 CO 0.00 0.00 -0.31 -0.83 -4.11 0.00 0.00 178.44 173.19 3i20 s GLY 28 N -3.97 -1.32 -0.43 0.17 0.00 -1.15 -4.98 107.32 95.64 3i20 s GLY 28 Ca 0.04 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.58 3i20 s GLY 28 CO 0.54 3.88 0.35 -0.18 0.00 0.00 0.00 173.10 177.69 3i20 n GLN 29 N 4.41 0.29 0.00 2.90 7.27 -1.25 -4.47 117.38 126.52 3i20 n GLN 29 Ca 0.09 -3.25 0.00 0.00 0.07 0.00 0.00 57.00 53.90 3i20 n GLN 29 Cb 0.58 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.53 3i20 n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i20 n GLN 30 N 2.77 0.00 0.00 3.69 0.00 -1.26 -4.94 117.38 117.64 3i20 n GLN 30 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.29 3i20 n GLN 30 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 3i20 n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i20 n GLY 31 N 0.00 -0.12 3.30 2.61 0.00 -1.26 -5.05 105.19 104.66 3i20 n GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i20 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i20 s VAL 32 N 0.00 3.04 -0.25 1.61 1.01 -1.26 -4.13 120.40 120.42 3i20 s VAL 32 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 3i20 s VAL 32 Cb 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3i20 s VAL 32 CO 0.00 0.48 1.02 0.21 0.00 0.00 0.00 175.10 176.81 3i20 s ASN 33 N 1.03 7.04 0.26 3.32 3.84 -1.26 -4.38 114.94 124.78 3i20 s ASN 33 Ca -0.01 1.28 0.15 0.00 0.21 0.00 0.00 52.86 54.49 3i20 s ASN 33 Cb -0.15 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.82 3i20 s ASN 33 CO -0.02 -0.69 1.40 -0.38 -2.79 0.00 0.00 177.10 174.63 3i20 n ILE 34 N 5.40 1.05 -0.02 -5.21 2.08 -1.26 -0.72 119.36 120.69 3i20 n ILE 34 Ca 0.11 0.69 0.04 0.00 0.56 0.00 0.00 62.75 64.15 3i20 n ILE 34 Cb 0.46 -1.69 -0.10 0.00 -0.75 0.00 0.00 39.64 37.56 3i20 n ILE 34 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 3i20 n MET 35 N -2.03 0.72 0.00 0.38 1.56 -1.26 -4.41 117.12 112.09 3i20 n MET 35 Ca -0.01 -0.10 0.13 0.00 -0.27 0.00 0.00 57.70 57.45 3i20 n MET 35 Cb 0.12 -1.32 0.48 0.00 2.15 0.00 0.00 33.22 34.66 3i20 n MET 35 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i20 n GLU 36 N -2.06 0.24 -0.17 2.12 0.00 0.10 -3.66 120.64 117.21 3i20 n GLU 36 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 57.16 57.01 3i20 n GLU 36 Cb 0.46 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.46 3i20 n GLU 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3i20 n PHE 37 N -1.30 0.40 -0.53 4.31 -0.00 -0.82 -2.96 117.46 116.56 3i20 n PHE 37 Ca 0.09 -0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.24 3i20 n PHE 37 Cb 0.32 -0.23 0.00 0.00 -0.00 0.00 0.00 39.48 39.57 3i20 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i20 n LYS 39 N -0.20 0.18 0.07 0.00 3.00 -1.15 -4.31 118.16 115.75 3i20 n LYS 39 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3i20 n LYS 39 Cb 0.34 -0.74 0.31 0.00 0.00 0.00 0.00 35.03 34.94 3i20 n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i20 h ALA 40 N -1.01 1.36 0.49 3.14 0.00 -1.90 -0.23 119.26 121.11 3i20 h ALA 40 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3i20 h ALA 40 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i20 h ALA 40 CO 0.00 0.44 -0.24 0.35 0.00 0.00 0.00 179.25 179.80 3i20 h PHE 41 N 0.32 -0.61 0.00 0.00 3.57 -1.84 -2.95 116.94 115.43 3i20 h PHE 41 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3i20 h PHE 41 Cb 0.47 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3i20 h PHE 41 CO 0.01 -0.38 0.00 0.09 -2.23 0.00 0.00 178.31 175.80 3i20 n ASN 42 N -4.04 0.00 0.22 0.41 3.02 -1.21 -0.50 115.26 113.16 3i20 n ASN 42 Ca -0.08 -0.16 0.15 0.00 -0.03 0.00 0.00 54.58 54.46 3i20 n ASN 42 Cb 0.26 -0.14 0.58 0.00 -0.61 0.00 0.00 39.78 39.87 3i20 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i20 h ALA 43 N 2.72 1.00 0.00 5.41 0.00 -0.84 -3.20 119.26 124.35 3i20 h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i20 h ALA 43 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i20 h ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.42 3i20 n LYS 44 N -2.79 0.00 -0.09 0.00 3.00 -0.67 -4.66 118.16 112.96 3i20 n LYS 44 Ca 0.02 -0.05 -0.17 0.00 -0.00 0.00 0.00 58.31 58.11 3i20 n LYS 44 Cb 0.30 -0.48 -0.10 0.00 0.00 0.00 0.00 35.03 34.75 3i20 n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i20 h THR 45 N 1.20 1.02 0.00 3.15 2.02 -0.85 -3.32 112.91 116.12 3i20 h THR 45 Ca 0.00 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 3i20 h THR 45 Cb 0.55 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3i20 h THR 45 CO 0.00 0.34 -0.13 0.44 0.37 0.00 0.00 175.52 176.54 3i20 h ASP 46 N -1.00 0.00 -0.42 4.18 3.45 -1.80 -2.36 116.42 118.47 3i20 h ASP 46 Ca -0.20 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.32 3i20 h ASP 46 Cb 1.07 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.79 3i20 h ASP 46 CO -0.12 0.13 0.14 -1.28 -1.57 0.00 0.00 179.24 176.54 3i20 h SER 47 N 0.00 0.13 0.00 6.45 0.87 -1.76 -3.39 113.55 115.85 3i20 h SER 47 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3i20 h SER 47 Cb 0.62 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3i20 h SER 47 CO 0.02 0.11 0.00 2.30 -0.53 0.00 0.00 176.83 178.72 3i20 n ILE 48 N -5.03 0.00 -3.55 2.23 -5.35 -1.18 -5.10 119.36 101.38 3i20 n ILE 48 Ca 0.03 0.31 -0.07 0.00 -0.27 0.00 0.00 62.75 62.75 3i20 n ILE 48 Cb 0.17 -1.26 -0.02 0.00 -1.74 0.00 0.00 39.64 36.78 3i20 n ILE 48 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3i20 s GLU 49 N -0.61 0.66 -0.05 6.28 -6.30 -0.89 -5.11 118.70 112.66 3i20 s GLU 49 Ca 0.00 -0.25 0.05 0.00 -2.50 0.00 0.00 54.97 52.27 3i20 s GLU 49 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 34.13 34.42 3i20 s GLU 49 CO 0.00 -0.29 -0.21 0.15 0.02 0.00 0.00 175.26 174.94 3i20 s LYS 50 N -2.88 2.17 0.00 4.30 3.01 -1.26 -4.68 119.74 120.40 3i20 s LYS 50 Ca 0.07 -0.74 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 3i20 s LYS 50 Cb -0.01 -1.84 0.00 0.00 -1.01 0.00 0.00 37.83 34.97 3i20 s LYS 50 CO -0.07 0.29 0.00 0.41 0.51 0.00 0.00 175.35 176.49 3i20 n GLY 51 N 3.10 0.82 3.69 -3.33 0.00 -1.26 -4.54 105.19 103.67 3i20 n GLY 51 Ca -0.18 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3i20 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 52 N 0.00 4.32 0.19 0.99 1.02 -1.26 -3.92 118.68 120.02 3i20 s LEU 52 Ca 0.00 2.08 -0.32 0.00 0.02 0.00 0.00 54.13 55.91 3i20 s LEU 52 Cb 0.00 -3.56 -0.15 0.00 0.02 0.00 0.00 46.19 42.50 3i20 s LEU 52 CO 0.00 -0.67 1.32 -2.65 0.02 0.00 0.00 176.35 174.37 3i20 n PRO 53 N 5.05 1.62 -3.60 1.29 -0.02 -1.25 -3.91 135.00 134.18 3i20 n PRO 53 Ca 0.12 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 3i20 n PRO 53 Cb 0.44 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3i20 n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i20 s ILE 54 N 0.01 0.29 0.70 4.25 1.01 -1.26 -3.70 121.20 122.49 3i20 s ILE 54 Ca 0.72 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 3i20 s ILE 54 Cb -0.76 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 40.53 3i20 s ILE 54 CO 0.49 -0.75 1.01 -2.16 0.00 0.00 0.00 174.94 173.54 3i20 s PRO 55 N 1.78 2.24 -0.08 2.79 0.04 -1.26 -4.93 135.00 135.58 3i20 s PRO 55 Ca 0.10 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.62 3i20 s PRO 55 Cb -0.17 -2.17 0.12 0.00 0.04 0.00 0.00 34.50 32.31 3i20 s PRO 55 CO -0.28 -1.21 0.97 0.54 0.04 0.00 0.00 177.00 177.06 3i20 s VAL 56 N -3.24 0.00 1.04 -0.36 0.11 -1.26 -4.83 120.40 111.87 3i20 s VAL 56 Ca 0.60 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.49 3i20 s VAL 56 Cb -0.11 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 3i20 s VAL 56 CO 0.45 0.00 0.27 0.52 -3.33 0.00 0.00 175.10 173.01 3i20 n VAL 57 N 0.12 0.00 -3.11 2.04 0.31 -1.26 -4.33 118.33 112.09 3i20 n VAL 57 Ca -0.08 -0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 63.83 3i20 n VAL 57 Cb 0.60 -0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 3i20 n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i20 n ILE 58 N -4.10 -0.09 -1.62 2.52 2.08 -1.15 -4.15 119.36 112.85 3i20 n ILE 58 Ca 0.04 -4.16 -0.15 0.00 0.56 0.00 0.00 62.75 59.04 3i20 n ILE 58 Cb 0.58 -0.02 -0.09 0.00 -0.75 0.00 0.00 39.64 39.37 3i20 n ILE 58 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3i20 s THR 59 N -2.15 3.05 -0.15 1.39 2.01 -0.04 -3.83 115.64 115.92 3i20 s THR 59 Ca 0.37 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.26 3i20 s THR 59 Cb 0.35 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3i20 s THR 59 CO -0.07 -0.09 0.03 -0.69 -0.69 0.00 0.00 174.62 173.10 3i20 s VAL 60 N 15.37 4.51 0.00 3.82 1.01 -1.26 -3.49 120.40 140.36 3i20 s VAL 60 Ca 0.87 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3i20 s VAL 60 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3i20 s VAL 60 CO 0.11 0.52 0.00 -1.22 0.00 0.00 0.00 175.10 174.51 3i20 n TYR 61 N 3.08 0.00 -1.17 5.22 0.53 -1.26 -4.58 117.16 118.98 3i20 n TYR 61 Ca -0.17 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.72 3i20 n TYR 61 Cb 0.53 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.86 3i20 n TYR 61 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i20 n ALA 62 N -3.00 1.66 -1.44 -0.72 0.00 -1.26 -4.93 120.51 110.82 3i20 n ALA 62 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.14 3i20 n ALA 62 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 3i20 n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i20 n ASP 63 N -0.28 6.69 0.00 0.00 9.92 -1.26 -4.95 116.55 126.67 3i20 n ASP 63 Ca 0.02 -2.93 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 3i20 n ASP 63 Cb 0.54 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 3i20 n ASP 63 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i20 n ARG 64 N 1.76 0.00 0.00 -1.24 3.00 -1.26 -4.71 116.66 114.21 3i20 n ARG 64 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3i20 n ARG 64 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 3i20 n ARG 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3i20 n SER 65 N 9.21 0.00 -3.50 6.15 7.64 -1.26 -4.86 113.62 126.99 3i20 n SER 65 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3i20 n SER 65 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3i20 n SER 65 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3i20 s PHE 66 N 0.00 -0.46 -0.18 1.43 -0.12 -1.26 -4.68 117.98 112.71 3i20 s PHE 66 Ca 0.00 0.51 0.01 0.00 -0.05 0.00 0.00 56.93 57.39 3i20 s PHE 66 Cb 0.00 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 3i20 s PHE 66 CO 0.00 -0.59 -0.18 0.95 -0.05 0.00 0.00 175.22 175.35 3i20 s THR 67 N -2.47 2.25 -0.32 -4.49 -4.23 -1.23 -4.98 115.64 100.17 3i20 s THR 67 Ca -0.00 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3i20 s THR 67 Cb -0.01 -1.95 0.09 0.00 1.34 0.00 0.00 72.50 71.98 3i20 s THR 67 CO -0.04 0.53 0.04 0.72 -0.54 0.00 0.00 174.62 175.32 3i20 s PHE 68 N 1.22 3.21 -0.19 3.99 -0.71 -1.26 -0.86 117.98 123.38 3i20 s PHE 68 Ca 0.03 -2.60 -0.29 0.00 -1.04 0.00 0.00 56.93 53.02 3i20 s PHE 68 Cb -0.14 -2.50 -0.01 0.00 -1.21 0.00 0.00 43.02 39.17 3i20 s PHE 68 CO -0.10 -0.92 1.22 0.08 -1.34 0.00 0.00 175.22 174.17 3i20 s VAL 69 N 1.10 4.35 0.47 -2.49 1.01 -1.26 -4.85 120.40 118.72 3i20 s VAL 69 Ca 0.08 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.60 3i20 s VAL 69 Cb -0.19 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3i20 s VAL 69 CO -0.11 -0.18 0.81 0.28 0.00 0.00 0.00 175.10 175.91 3i20 s THR 70 N 3.52 4.83 0.00 3.92 -1.32 -1.26 -4.28 115.64 121.04 3i20 s THR 70 Ca 0.53 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 3i20 s THR 70 Cb -0.20 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 3i20 s THR 70 CO 0.14 -0.76 0.00 2.29 -2.21 0.00 0.00 174.62 174.08 3i20 n LYS 71 N -1.93 0.00 -4.38 7.08 0.00 -1.26 -5.13 118.16 112.54 3i20 n LYS 71 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.09 3i20 n LYS 71 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.46 3i20 n LYS 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i20 s THR 72 N -0.05 2.07 0.21 0.58 -4.23 -1.26 -5.10 115.64 107.86 3i20 s THR 72 Ca 0.00 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 3i20 s THR 72 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3i20 s THR 72 CO 0.00 -0.23 0.21 -2.16 -0.54 0.00 0.00 174.62 171.90 3i20 s PRO 73 N -2.76 3.05 0.02 3.99 0.04 -1.26 -4.63 135.00 133.45 3i20 s PRO 73 Ca 0.18 -0.90 -0.34 0.00 0.04 0.00 0.00 61.00 59.99 3i20 s PRO 73 Cb -0.07 -2.69 -0.13 0.00 0.04 0.00 0.00 34.50 31.66 3i20 s PRO 73 CO 0.08 0.45 1.75 -0.35 0.04 0.00 0.00 177.00 178.97 3i20 n PRO 74 N -0.86 2.17 0.13 0.56 -0.04 -1.24 -4.89 135.00 130.82 3i20 n PRO 74 Ca -0.08 0.79 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 3i20 n PRO 74 Cb 0.56 -2.60 0.41 0.00 -0.04 0.00 0.00 33.50 31.82 3i20 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i20 h ALA 75 N 7.81 1.00 -0.53 0.55 0.00 -1.97 -2.96 119.26 123.17 3i20 h ALA 75 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i20 h ALA 75 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i20 h ALA 75 CO 0.92 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.17 3i20 n ALA 76 N -1.82 2.75 0.89 0.00 0.00 -1.26 -2.66 120.51 118.40 3i20 n ALA 76 Ca 0.05 -1.13 0.12 0.00 0.00 0.00 0.00 53.44 52.48 3i20 n ALA 76 Cb 0.40 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.05 3i20 n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i20 n VAL 77 N 0.96 0.14 -0.03 0.00 0.24 -1.12 -4.20 118.33 114.34 3i20 n VAL 77 Ca 0.20 -0.53 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 3i20 n VAL 77 Cb 0.62 1.19 0.04 0.00 -1.47 0.00 0.00 33.84 34.22 3i20 n VAL 77 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i20 n LEU 78 N 1.21 4.76 -0.26 1.34 4.77 -1.09 -3.27 117.00 124.45 3i20 n LEU 78 Ca 0.16 -2.39 0.02 0.00 -0.03 0.00 0.00 56.01 53.77 3i20 n LEU 78 Cb 0.56 -0.78 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3i20 n LEU 78 CO 0.15 0.83 0.33 0.18 -1.33 0.00 0.00 177.39 177.56 3i20 n LEU 79 N 0.38 0.60 0.00 2.23 4.77 -1.26 -3.94 117.00 119.78 3i20 n LEU 79 Ca 0.16 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3i20 n LEU 79 Cb 0.71 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3i20 n LEU 79 CO 0.18 0.30 -0.32 0.29 -1.33 0.00 0.00 177.39 176.50 3i20 n LYS 80 N -0.31 2.37 -0.02 3.23 5.02 -1.20 -2.55 118.16 124.70 3i20 n LYS 80 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 3i20 n LYS 80 Cb 0.60 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 3i20 n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i20 n LYS 81 N -1.24 3.07 -1.43 1.97 2.85 -1.26 -4.59 118.16 117.53 3i20 n LYS 81 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 3i20 n LYS 81 Cb 0.17 -1.11 0.10 0.00 -0.65 0.00 0.00 35.03 33.55 3i20 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i20 n ALA 82 N -2.19 3.62 0.00 0.58 0.00 -1.26 -4.86 120.51 116.40 3i20 n ALA 82 Ca -0.07 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.20 3i20 n ALA 82 Cb 0.64 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3i20 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 83 N -0.62 0.00 0.00 0.00 0.00 -1.25 -4.76 120.51 113.87 3i20 n ALA 83 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i20 n ALA 83 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3i20 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 84 N -1.40 -0.37 3.37 0.00 0.00 -1.06 -4.94 105.19 100.80 3i20 n GLY 84 Ca 0.00 0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 3i20 n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i20 n ILE 85 N 0.00 1.29 0.48 -0.61 -6.64 -1.18 -4.11 119.36 108.59 3i20 n ILE 85 Ca 0.00 -0.50 0.13 0.00 -1.77 0.00 0.00 62.75 60.61 3i20 n ILE 85 Cb 0.00 -0.14 0.39 0.00 -1.44 0.00 0.00 39.64 38.45 3i20 n ILE 85 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 3i20 h LYS 86 N 0.66 0.00 0.00 6.28 6.56 -1.84 -3.32 116.57 124.91 3i20 h LYS 86 Ca -0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 3i20 h LYS 86 Cb 1.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.09 3i20 h LYS 86 CO 0.51 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.77 3i20 n SER 87 N -2.49 0.00 0.00 0.86 3.41 -1.26 -5.01 113.62 109.12 3i20 n SER 87 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3i20 n SER 87 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3i20 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i20 n GLY 88 N 5.00 0.36 0.00 5.00 0.00 -1.26 -4.90 105.19 109.39 3i20 n GLY 88 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3i20 n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i20 n SER 89 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.85 113.62 116.76 3i20 n SER 89 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 3i20 n SER 89 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 3i20 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i20 n GLY 90 N -1.00 2.08 3.08 0.23 0.00 -1.26 -3.84 105.19 104.49 3i20 n GLY 90 Ca 0.00 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3i20 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s LYS 91 N 0.00 3.10 0.00 1.61 -0.14 -1.26 -5.05 119.74 117.99 3i20 s LYS 91 Ca 0.00 -3.20 0.00 0.00 -1.36 0.00 0.00 55.97 51.41 3i20 s LYS 91 Cb 0.00 -3.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 3i20 s LYS 91 CO 0.00 -1.26 0.00 -2.30 -0.76 0.00 0.00 175.35 171.03 3i20 n PRO 92 N 2.43 0.00 -2.51 -1.68 -0.02 -1.25 -4.25 135.00 127.72 3i20 n PRO 92 Ca 0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 3i20 n PRO 92 Cb 0.37 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.86 3i20 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i20 n ASN 93 N 0.00 7.50 -0.00 2.55 4.13 -1.26 -3.99 115.26 124.18 3i20 n ASN 93 Ca 0.00 -3.59 0.05 0.00 1.68 0.00 0.00 54.58 52.72 3i20 n ASN 93 Cb 0.00 -1.20 -0.07 0.00 -1.54 0.00 0.00 39.78 36.97 3i20 n ASN 93 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i20 n LYS 94 N 0.26 2.59 -3.58 3.52 4.76 -1.26 -4.99 118.16 119.46 3i20 n LYS 94 Ca 0.50 -0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.75 3i20 n LYS 94 Cb 0.26 -1.08 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 3i20 n LYS 94 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i20 s ASP 95 N -2.36 -0.59 -0.87 4.39 2.15 -1.26 -5.05 116.67 113.08 3i20 s ASP 95 Ca 0.02 0.74 -0.09 0.00 0.43 0.00 0.00 52.55 53.64 3i20 s ASP 95 Cb 0.08 0.66 -0.07 0.00 -0.30 0.00 0.00 42.92 43.28 3i20 s ASP 95 CO 0.45 -0.51 2.05 0.29 -0.17 0.00 0.00 175.17 177.27 3i20 n LYS 96 N 1.31 1.92 -0.29 4.34 4.01 -1.26 -4.75 118.16 123.44 3i20 n LYS 96 Ca -0.18 -1.54 -0.10 0.00 -0.51 0.00 0.00 58.31 55.98 3i20 n LYS 96 Cb 0.57 -2.56 -0.07 0.00 -0.51 0.00 0.00 35.03 32.46 3i20 n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i20 h VAL 97 N 3.69 0.02 -1.36 -0.18 2.07 -1.77 -3.45 116.25 115.27 3i20 h VAL 97 Ca 0.47 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 67.36 3i20 h VAL 97 Cb 0.28 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 29.94 3i20 h VAL 97 CO 1.56 0.00 -0.51 -0.83 0.02 0.00 0.00 177.57 177.81 3i20 s GLY 98 N -2.67 2.88 -0.29 2.17 0.00 -1.24 -5.04 107.32 103.13 3i20 s GLY 98 Ca -0.13 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 3i20 s GLY 98 CO 0.64 -2.03 1.08 -1.59 0.00 0.00 0.00 173.10 171.19 3i20 s LYS 99 N -3.79 0.25 0.00 2.90 -2.85 -1.26 0.08 119.74 115.06 3i20 s LYS 99 Ca 0.12 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.56 3i20 s LYS 99 Cb 0.01 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3i20 s LYS 99 CO 0.08 -0.06 0.00 -0.89 0.10 0.00 0.00 175.35 174.58 3i20 n ILE 100 N 3.79 0.00 -3.80 3.79 2.08 -1.18 -4.85 119.36 119.19 3i20 n ILE 100 Ca -0.16 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.05 3i20 n ILE 100 Cb 0.56 -0.17 0.00 0.00 -0.75 0.00 0.00 39.64 39.28 3i20 n ILE 100 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3i20 n SER 101 N 0.00 -1.59 -0.03 4.38 3.41 -1.26 -1.56 113.62 116.97 3i20 n SER 101 Ca 0.00 -2.46 -0.14 0.00 -0.26 0.00 0.00 58.87 56.01 3i20 n SER 101 Cb 0.00 2.76 -0.10 0.00 -0.26 0.00 0.00 64.21 66.61 3i20 n SER 101 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i20 h ARG 102 N 0.00 0.20 -0.36 4.33 2.43 -1.79 -3.28 114.38 115.92 3i20 h ARG 102 Ca -0.26 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 58.82 3i20 h ARG 102 Cb 1.03 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 3i20 h ARG 102 CO 0.34 0.80 -0.12 0.00 -1.51 0.00 0.00 179.97 179.48 3i20 h ALA 103 N 0.40 0.19 -2.51 2.80 0.00 -1.92 -3.36 119.26 114.85 3i20 h ALA 103 Ca -0.01 0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 3i20 h ALA 103 Cb 0.83 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3i20 h ALA 103 CO 0.04 -0.49 0.43 -0.65 0.00 0.00 0.00 179.25 178.58 3i20 s GLN 104 N -6.19 4.57 0.00 0.00 -0.21 -1.24 -3.35 119.66 113.23 3i20 s GLN 104 Ca -0.14 1.57 0.00 0.00 0.02 0.00 0.00 55.36 56.81 3i20 s GLN 104 Cb 0.14 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.77 3i20 s GLN 104 CO 0.70 -0.02 0.00 1.28 -2.12 0.00 0.00 175.29 175.13 3i20 n LEU 105 N 3.36 0.00 0.14 2.90 4.77 -1.26 -4.38 117.00 122.53 3i20 n LEU 105 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3i20 n LEU 105 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 3i20 n LEU 105 CO 0.53 0.00 0.41 -0.61 -1.33 0.00 0.00 177.39 176.39 3i20 h GLN 106 N 4.47 -0.39 -0.33 3.23 4.15 -1.70 -2.21 115.11 122.33 3i20 h GLN 106 Ca 0.00 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3i20 h GLN 106 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3i20 h GLN 106 CO 0.00 -0.06 -0.10 0.93 -1.93 0.00 0.00 178.83 177.67 3i20 h GLU 107 N -0.92 0.56 -0.65 1.69 3.07 -1.95 -0.87 114.58 115.51 3i20 h GLU 107 Ca -0.04 -0.16 0.12 0.00 -0.50 0.00 0.00 59.36 58.79 3i20 h GLU 107 Cb 0.51 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.27 3i20 h GLU 107 CO 0.07 0.65 0.17 0.82 -1.40 0.00 0.00 179.01 179.32 3i20 h ILE 108 N 0.52 0.63 0.00 3.13 2.04 -1.95 -0.52 117.51 121.35 3i20 h ILE 108 Ca 0.10 -0.10 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 3i20 h ILE 108 Cb 0.48 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3i20 h ILE 108 CO 0.03 0.05 -1.34 0.00 0.00 0.00 0.00 178.15 176.89 3i20 h ALA 109 N 1.51 0.62 0.00 1.87 0.00 -1.34 -3.33 119.26 118.58 3i20 h ALA 109 Ca 0.35 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i20 h ALA 109 Cb 0.53 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i20 h ALA 109 CO -0.42 1.29 -0.01 0.37 0.00 0.00 0.00 179.25 180.48 3i20 h GLN 110 N 0.00 0.00 -0.55 0.00 4.15 -0.23 -2.92 115.11 115.56 3i20 h GLN 110 Ca -0.16 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3i20 h GLN 110 Cb 1.81 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.48 3i20 h GLN 110 CO 0.09 0.01 0.05 1.79 -1.93 0.00 0.00 178.83 178.84 3i20 h THR 111 N 0.00 1.26 0.00 2.39 1.35 -1.24 -3.31 112.91 113.35 3i20 h THR 111 Ca -0.00 -1.02 -0.20 0.00 -0.55 0.00 0.00 66.41 64.63 3i20 h THR 111 Cb 0.02 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 3i20 h THR 111 CO 0.00 0.37 1.08 0.29 -0.25 0.00 0.00 175.52 177.01 3i20 n LYS 112 N -4.32 1.39 0.12 4.72 5.02 -1.11 -4.52 118.16 119.46 3i20 n LYS 112 Ca 0.02 -0.88 0.08 0.00 -2.02 0.00 0.00 58.31 55.52 3i20 n LYS 112 Cb 0.29 -2.03 0.44 0.00 -0.02 0.00 0.00 35.03 33.71 3i20 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 n ALA 113 N 3.40 1.07 -1.39 7.82 0.00 -1.25 -1.12 120.51 129.04 3i20 n ALA 113 Ca 0.30 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.96 3i20 n ALA 113 Cb 0.32 -1.24 0.18 0.00 0.00 0.00 0.00 19.45 18.70 3i20 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 114 N -1.71 3.08 -3.15 0.00 0.00 -1.26 -4.94 120.51 112.53 3i20 n ALA 114 Ca -0.01 -3.02 0.04 0.00 0.00 0.00 0.00 53.44 50.45 3i20 n ALA 114 Cb 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 3i20 n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i20 s ASP 115 N -3.08 -1.51 0.00 0.00 -1.08 -0.28 -5.04 116.67 105.69 3i20 s ASP 115 Ca 0.35 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.88 3i20 s ASP 115 Cb 0.33 2.09 0.00 0.00 -1.46 0.00 0.00 42.92 43.88 3i20 s ASP 115 CO -0.03 -0.28 0.00 0.23 0.52 0.00 0.00 175.17 175.61 3i20 n MET 116 N 5.42 0.00 -3.17 4.34 2.81 -1.26 -4.81 117.12 120.46 3i20 n MET 116 Ca 0.02 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.47 3i20 n MET 116 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 3i20 n MET 116 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i20 n THR 117 N -0.21 4.63 0.00 2.03 -2.24 -1.26 -4.84 114.28 112.39 3i20 n THR 117 Ca 0.00 -5.30 0.00 0.00 -2.27 0.00 0.00 64.05 56.48 3i20 n THR 117 Cb 0.00 -2.48 0.00 0.00 -2.10 0.00 0.00 70.33 65.75 3i20 n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i20 n GLY 118 N 2.74 -0.80 0.34 3.38 0.00 -1.26 -4.88 105.19 104.71 3i20 n GLY 118 Ca 0.28 0.84 0.18 0.00 0.00 0.00 0.00 46.02 47.31 3i20 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 h ALA 119 N 0.00 1.38 -2.41 4.61 0.00 -2.02 -3.41 119.26 117.41 3i20 h ALA 119 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3i20 h ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i20 h ALA 119 CO 0.00 -0.29 0.82 0.34 0.00 0.00 0.00 179.25 180.13 3i20 s ASP 120 N -4.81 6.83 0.30 0.00 -1.08 -1.26 -4.91 116.67 111.74 3i20 s ASP 120 Ca -0.04 2.17 0.25 0.00 -0.52 0.00 0.00 52.55 54.42 3i20 s ASP 120 Cb 0.11 -2.57 0.70 0.00 -1.46 0.00 0.00 42.92 39.71 3i20 s ASP 120 CO 0.36 -0.71 1.73 0.40 0.52 0.00 0.00 175.17 177.46 3i20 h ILE 121 N 4.79 0.00 0.00 4.11 2.04 -2.02 -3.16 117.51 123.28 3i20 h ILE 121 Ca -0.39 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3i20 h ILE 121 Cb 1.19 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3i20 h ILE 121 CO 0.90 0.00 -1.04 1.21 0.00 0.00 0.00 178.15 179.22 3i20 n GLU 122 N -2.56 0.23 -0.05 2.37 4.07 -1.26 -4.53 120.64 118.91 3i20 n GLU 122 Ca 0.05 -0.01 -0.21 0.00 -0.06 0.00 0.00 57.16 56.93 3i20 n GLU 122 Cb 0.44 -1.47 -0.13 0.00 -0.06 0.00 0.00 31.44 30.22 3i20 n GLU 122 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i20 n ALA 123 N -1.53 1.06 0.68 4.31 0.00 -1.20 -3.95 120.51 119.88 3i20 n ALA 123 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3i20 n ALA 123 Cb 0.34 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.34 3i20 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n MET 124 N -3.51 0.34 0.01 0.00 -0.00 -1.21 -3.18 117.12 109.57 3i20 n MET 124 Ca -0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.31 3i20 n MET 124 Cb 1.00 -1.02 -0.01 0.00 -0.00 0.00 0.00 33.22 33.20 3i20 n MET 124 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3i20 h THR 125 N 0.00 0.00 0.00 3.17 2.02 -1.82 -3.31 112.91 112.96 3i20 h THR 125 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3i20 h THR 125 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3i20 h THR 125 CO 0.00 0.00 0.01 -2.11 0.37 0.00 0.00 175.52 173.79 3i20 n ARG 126 N -3.54 0.04 0.32 6.66 0.00 -1.19 -0.72 116.66 118.23 3i20 n ARG 126 Ca -0.01 0.53 -0.13 0.00 -0.00 0.00 0.00 57.85 58.24 3i20 n ARG 126 Cb 0.03 -1.63 -0.06 0.00 -0.00 0.00 0.00 32.46 30.80 3i20 n ARG 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i20 h SER 127 N 0.00 -0.70 0.77 2.89 4.64 -1.69 -2.99 113.55 116.47 3i20 h SER 127 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i20 h SER 127 Cb 0.02 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3i20 h SER 127 CO 0.00 -0.43 0.00 0.40 -0.87 0.00 0.00 176.83 175.93 3i20 h ILE 128 N -0.96 0.00 0.48 0.95 1.08 -1.12 -3.04 117.51 114.90 3i20 h ILE 128 Ca -0.08 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3i20 h ILE 128 Cb 0.63 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3i20 h ILE 128 CO 0.14 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.90 3i20 h GLU 129 N 0.00 -0.80 -0.33 2.37 5.08 -0.90 -2.21 114.58 117.78 3i20 h GLU 129 Ca 0.00 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3i20 h GLU 129 Cb 0.38 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3i20 h GLU 129 CO 0.00 -0.53 0.09 0.78 -1.00 0.00 0.00 179.01 178.35 3i20 h GLY 130 N -0.83 0.51 0.71 -3.84 0.00 -1.41 -1.82 103.07 96.39 3i20 h GLY 130 Ca -0.05 -0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.15 3i20 h GLY 130 CO 0.01 0.24 0.53 -0.84 0.00 0.00 0.00 176.54 176.47 3i20 h THR 131 N 0.48 0.87 -0.89 4.70 2.02 -1.43 0.62 112.91 119.28 3i20 h THR 131 Ca 0.11 -0.21 -0.50 0.00 0.77 0.00 0.00 66.41 66.58 3i20 h THR 131 Cb 0.17 0.19 -0.28 0.00 -1.74 0.00 0.00 68.15 66.49 3i20 h THR 131 CO -0.01 0.11 0.54 0.00 0.37 0.00 0.00 175.52 176.54 3i20 n ALA 132 N -2.46 5.54 -0.81 6.16 0.00 -0.71 -3.83 120.51 124.40 3i20 n ALA 132 Ca 0.15 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.51 3i20 n ALA 132 Cb 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i20 n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i20 n ARG 133 N -1.09 0.00 -0.15 0.00 0.63 0.19 -4.52 116.66 111.73 3i20 n ARG 133 Ca 0.56 -0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.52 3i20 n ARG 133 Cb 1.37 -0.41 0.10 0.00 0.45 0.00 0.00 32.46 33.97 3i20 n ARG 133 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i20 n SER 134 N -0.00 1.44 0.00 6.15 7.64 0.57 -3.00 113.62 126.42 3i20 n SER 134 Ca 0.00 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.81 3i20 n SER 134 Cb 0.20 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3i20 n SER 134 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3i20 n MET 135 N 0.13 0.93 0.00 1.43 0.00 -1.26 -4.87 117.12 113.48 3i20 n MET 135 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.52 3i20 n MET 135 Cb 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 33.22 32.78 3i20 n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i20 n GLY 136 N 0.20 1.37 3.73 3.17 0.00 -1.16 -4.14 105.19 108.37 3i20 n GLY 136 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i20 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i20 s LEU 137 N 0.00 4.50 -0.38 0.99 1.43 -1.26 -3.66 118.68 120.31 3i20 s LEU 137 Ca 0.00 1.91 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 3i20 s LEU 137 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3i20 s LEU 137 CO 0.00 -0.12 0.42 -0.69 0.23 0.00 0.00 176.35 176.19 3i20 s VAL 138 N -0.10 5.11 0.15 -1.59 1.01 0.11 -4.68 120.40 120.41 3i20 s VAL 138 Ca 0.48 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3i20 s VAL 138 Cb -0.26 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3i20 s VAL 138 CO 0.32 -0.25 1.25 0.54 0.00 0.00 0.00 175.10 176.96 3i20 s VAL 139 N 2.14 3.56 -0.80 2.92 0.11 -1.26 -3.08 120.40 123.99 3i20 s VAL 139 Ca 0.13 1.23 -0.02 0.00 -2.93 0.00 0.00 61.98 60.39 3i20 s VAL 139 Cb -0.16 -3.78 0.20 0.00 -1.53 0.00 0.00 36.38 31.10 3i20 s VAL 139 CO 0.13 0.15 0.65 -1.61 -3.33 0.00 0.00 175.10 171.09 3i20 s GLU 140 N 0.29 3.00 0.00 1.54 8.01 -0.60 -4.96 118.70 125.98 3i20 s GLU 140 Ca 0.57 -3.05 0.29 0.00 0.01 0.00 0.00 54.97 52.79 3i20 s GLU 140 Cb -0.33 -3.85 1.28 0.00 -4.31 0.00 0.00 34.13 26.92 3i20 s GLU 140 CO 0.34 -1.24 1.88 -3.47 0.01 0.00 0.00 175.26 172.78