#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g n LEU 2 N 0.00 2.69 -4.35 1.04 4.77 -1.26 -4.95 117.00 114.94 2e0g n LEU 2 Ca 0.00 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.88 2e0g n LEU 2 Cb 0.00 -1.09 -0.13 0.00 -2.33 0.00 0.00 43.42 39.87 2e0g n LEU 2 CO 0.00 0.87 -0.55 -0.44 -1.33 0.00 0.00 177.39 175.94 2e0g s SER 3 N -6.98 2.99 0.10 -1.43 0.01 -1.26 -5.05 113.70 102.08 2e0g s SER 3 Ca -0.24 -0.72 -0.27 0.00 1.31 0.00 0.00 55.95 56.03 2e0g s SER 3 Cb 0.07 -0.19 -0.11 0.00 0.21 0.00 0.00 66.02 66.00 2e0g s SER 3 CO 0.75 0.13 1.65 0.25 0.41 0.00 0.00 173.24 176.44 2e0g h LEU 4 N 4.00 -0.61 0.04 2.44 6.46 -1.99 -1.23 115.31 124.42 2e0g h LEU 4 Ca -0.49 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 2e0g h LEU 4 Cb 1.17 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 2e0g h LEU 4 CO 0.39 -0.32 -0.16 -0.25 -0.62 0.00 0.00 178.44 177.48 2e0g h TRP 5 N -0.46 -0.48 -1.00 1.25 7.01 -1.97 0.11 115.95 120.42 2e0g h TRP 5 Ca 0.01 0.01 0.32 0.00 2.11 0.00 0.00 58.89 61.34 2e0g h TRP 5 Cb 0.45 0.20 -0.15 0.00 -2.10 0.00 0.00 29.16 27.56 2e0g h TRP 5 CO -0.17 -0.18 0.56 -0.56 -2.79 0.00 0.00 178.44 175.29 2e0g h GLN 6 N -0.23 0.31 -0.30 2.65 3.07 -1.98 0.38 115.11 119.00 2e0g h GLN 6 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 2e0g h GLN 6 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 2e0g h GLN 6 CO -0.09 0.20 0.08 0.37 0.09 0.00 0.00 178.83 179.49 2e0g h GLN 7 N 0.32 0.47 -0.96 0.06 4.15 -0.29 -2.16 115.11 116.70 2e0g h GLN 7 Ca 0.73 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 60.08 2e0g h GLN 7 Cb 1.67 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 29.24 2e0g h GLN 7 CO -0.61 0.53 0.63 0.00 -1.93 0.00 0.00 178.83 177.45 2e0g h LEU 9 N 1.22 -0.58 -1.10 0.00 -0.00 -1.05 -1.54 115.31 112.26 2e0g h LEU 9 Ca 0.38 -0.05 0.16 0.00 -0.00 0.00 0.00 57.88 58.37 2e0g h LEU 9 Cb 0.00 0.15 -0.09 0.00 -0.00 0.00 0.00 40.66 40.72 2e0g h LEU 9 CO -0.12 -0.29 0.61 0.00 -0.00 0.00 0.00 178.44 178.65 2e0g h ALA 10 N -0.47 1.70 -0.41 1.53 0.00 -1.20 0.59 119.26 121.00 2e0g h ALA 10 Ca -0.07 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2e0g h ALA 10 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2e0g h ALA 10 CO 0.11 -0.01 -0.14 -0.09 0.00 0.00 0.00 179.25 179.13 2e0g h ARG 11 N 0.80 0.75 -0.23 0.00 1.12 -1.14 0.11 114.38 115.77 2e0g h ARG 11 Ca 0.52 -0.26 -0.14 0.00 -1.11 0.00 0.00 59.98 59.00 2e0g h ARG 11 Cb 0.76 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 2e0g h ARG 11 CO -0.29 0.85 -0.42 1.25 -3.11 0.00 0.00 179.97 178.25 2e0g h LEU 12 N 0.67 0.60 0.00 3.80 6.46 0.11 0.33 115.31 127.28 2e0g h LEU 12 Ca 0.11 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2e0g h LEU 12 Cb 0.62 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2e0g h LEU 12 CO 0.04 0.94 -0.25 -0.61 -0.62 0.00 0.00 178.44 177.95 2e0g h GLN 13 N 0.46 0.00 0.06 1.25 5.75 -0.93 -3.20 115.11 118.50 2e0g h GLN 13 Ca 0.04 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.20 2e0g h GLN 13 Cb 0.92 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.44 2e0g h GLN 13 CO 0.08 0.00 -1.95 -0.25 -2.65 0.00 0.00 178.83 174.06 2e0g n ASP 14 N -2.87 1.54 0.03 -0.69 8.00 0.35 -4.15 116.55 118.77 2e0g n ASP 14 Ca 0.03 0.25 -0.00 0.00 0.71 0.00 0.00 54.79 55.78 2e0g n ASP 14 Cb 0.52 -0.44 0.30 0.00 -0.02 0.00 0.00 41.12 41.48 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2e0g h GLU 15 N 0.04 0.45 -1.43 -1.24 4.39 -0.43 -3.46 114.58 112.89 2e0g h GLU 15 Ca -0.39 -0.11 0.23 0.00 0.34 0.00 0.00 59.36 59.43 2e0g h GLU 15 Cb 2.03 -0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 30.42 2e0g h GLU 15 CO 0.07 0.54 0.80 -0.48 -1.16 0.00 0.00 179.01 178.78 2e0g s LEU 16 N -8.92 -0.15 -0.46 1.33 0.05 -1.21 -5.10 118.68 104.23 2e0g s LEU 16 Ca -0.07 0.05 -0.28 0.00 0.05 0.00 0.00 54.13 53.88 2e0g s LEU 16 Cb 0.15 1.40 -0.02 0.00 -2.05 0.00 0.00 46.19 45.67 2e0g s LEU 16 CO 0.76 -0.22 1.77 -2.16 -0.55 0.00 0.00 176.35 175.95 2e0g s PRO 17 N -2.06 3.08 -0.48 1.48 0.04 -1.26 -4.29 135.00 131.51 2e0g s PRO 17 Ca 0.08 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2e0g s PRO 17 Cb -0.01 -4.25 0.22 0.00 0.04 0.00 0.00 34.50 30.50 2e0g s PRO 17 CO -0.05 -2.17 0.76 0.00 0.04 0.00 0.00 177.00 175.59 2e0g n ALA 18 N 11.07 -0.80 0.26 8.56 0.00 -1.26 -4.98 120.51 133.36 2e0g n ALA 18 Ca 0.21 -1.65 0.16 0.00 0.00 0.00 0.00 53.44 52.16 2e0g n ALA 18 Cb 0.49 -1.28 0.84 0.00 0.00 0.00 0.00 19.45 19.50 2e0g n ALA 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2e0g h THR 19 N 3.59 0.00 -0.98 0.00 2.02 -1.95 -2.14 112.91 113.45 2e0g h THR 19 Ca -0.03 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.35 2e0g h THR 19 Cb 1.03 0.68 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 2e0g h THR 19 CO 0.25 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 176.43 2e0g h GLU 20 N 0.00 0.63 -0.14 6.66 5.08 -2.00 0.42 114.58 125.23 2e0g h GLU 20 Ca 0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2e0g h GLU 20 Cb 0.20 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2e0g h GLU 20 CO 0.00 0.41 0.22 0.27 -1.00 0.00 0.00 179.01 178.91 2e0g h PHE 21 N 0.64 0.00 0.00 4.33 -0.00 -1.78 0.49 116.94 120.63 2e0g h PHE 21 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.52 2e0g h PHE 21 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 2e0g h PHE 21 CO -0.00 0.00 -0.27 0.45 -0.00 0.00 0.00 178.31 178.49 2e0g n SER 22 N -3.51 0.73 -0.05 -0.68 2.88 0.15 -3.03 113.62 110.11 2e0g n SER 22 Ca 0.01 0.36 -0.11 0.00 -1.33 0.00 0.00 58.87 57.81 2e0g n SER 22 Cb 0.32 -0.37 -0.15 0.00 -0.75 0.00 0.00 64.21 63.27 2e0g n SER 22 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2e0g n MET 23 N -2.15 0.66 -1.04 -1.46 2.81 0.16 -2.81 117.12 113.29 2e0g n MET 23 Ca 0.05 0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 56.02 2e0g n MET 23 Cb 0.43 -1.69 0.25 0.00 -0.71 0.00 0.00 33.22 31.50 2e0g n MET 23 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2e0g n TRP 24 N -3.00 2.45 0.00 2.03 7.02 -0.68 -4.31 117.44 120.96 2e0g n TRP 24 Ca -0.25 -1.44 0.00 0.00 -1.02 0.00 0.00 57.50 54.79 2e0g n TRP 24 Cb 1.08 -0.74 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 2e0g n TRP 24 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2e0g n ILE 25 N -0.59 0.00 0.02 -0.99 0.13 -1.17 -4.80 119.36 111.97 2e0g n ILE 25 Ca 0.46 0.00 -0.09 0.00 -1.10 0.00 0.00 62.75 62.01 2e0g n ILE 25 Cb 1.43 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 40.17 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2e0g h ARG 26 N 0.00 -0.36 0.00 9.51 2.47 -1.71 -1.34 114.38 122.95 2e0g h ARG 26 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2e0g h ARG 26 Cb 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2e0g h ARG 26 CO 0.00 -0.24 0.00 -0.35 0.56 0.00 0.00 179.97 179.94 2e0g n PRO 27 N -4.19 0.21 -1.22 0.04 -0.04 -1.26 -4.80 135.00 123.74 2e0g n PRO 27 Ca -0.04 0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 63.55 2e0g n PRO 27 Cb 0.22 -1.90 0.11 0.00 -0.04 0.00 0.00 33.50 31.89 2e0g n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e0g s LEU 28 N -4.58 2.85 -0.25 1.53 2.01 -0.50 -4.84 118.68 114.90 2e0g s LEU 28 Ca 0.04 1.77 0.00 0.00 0.01 0.00 0.00 54.13 55.95 2e0g s LEU 28 Cb 0.09 -4.39 0.07 0.00 0.01 0.00 0.00 46.19 41.97 2e0g s LEU 28 CO 0.40 -2.22 -0.00 -1.58 1.01 0.00 0.00 176.35 173.95 2e0g s GLN 29 N -4.90 1.26 0.05 1.70 -0.44 0.92 -4.93 119.66 113.32 2e0g s GLN 29 Ca 0.62 -0.96 -0.22 0.00 -2.50 0.00 0.00 55.36 52.30 2e0g s GLN 29 Cb -0.18 -2.44 -0.06 0.00 -1.64 0.00 0.00 33.01 28.69 2e0g s GLN 29 CO 0.56 -0.70 0.67 0.00 0.50 0.00 0.00 175.29 176.32 2e0g s ALA 30 N 1.49 3.47 -0.18 1.58 0.00 -1.26 -0.26 121.76 126.59 2e0g s ALA 30 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2e0g s ALA 30 Cb -0.18 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.14 2e0g s ALA 30 CO -0.10 0.20 -0.17 -2.00 0.00 0.00 0.00 175.76 173.68 2e0g s GLU 31 N -0.46 2.73 -0.11 0.00 2.12 -0.41 -4.95 118.70 117.61 2e0g s GLU 31 Ca 0.33 -0.83 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 2e0g s GLU 31 Cb -0.20 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2e0g s GLU 31 CO 0.20 -0.27 0.54 -0.51 -0.54 0.00 0.00 175.26 174.69 2e0g s LEU 32 N 1.31 4.28 -0.42 2.70 1.43 -1.26 -1.46 118.68 125.26 2e0g s LEU 32 Ca 0.03 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2e0g s LEU 32 Cb -0.14 -2.79 0.43 0.00 0.03 0.00 0.00 46.19 43.72 2e0g s LEU 32 CO -0.11 -0.04 1.13 -0.24 0.23 0.00 0.00 176.35 177.31 2e0g n SER 33 N 3.78 4.77 0.00 2.29 2.88 0.65 -4.94 113.62 123.05 2e0g n SER 33 Ca -0.05 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.76 2e0g n SER 33 Cb 0.51 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2e0g n ASP 34 N -0.52 0.00 -0.73 -3.46 2.03 -1.26 -3.56 116.55 109.06 2e0g n ASP 34 Ca 0.40 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2e0g n ASP 34 Cb 0.71 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2e0g n ASN 35 N 2.73 0.15 -3.63 1.67 4.13 -1.26 -4.99 115.26 114.06 2e0g n ASN 35 Ca 0.00 -1.86 -0.24 0.00 1.68 0.00 0.00 54.58 54.16 2e0g n ASN 35 Cb 0.00 -0.17 -0.17 0.00 -1.54 0.00 0.00 39.78 37.90 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2e0g s THR 36 N 0.00 -0.07 -0.50 3.41 2.01 -1.23 -1.53 115.64 117.72 2e0g s THR 36 Ca 0.07 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2e0g s THR 36 Cb 0.08 -0.48 0.12 0.00 0.01 0.00 0.00 72.50 72.24 2e0g s THR 36 CO -0.03 -0.15 0.41 -0.22 -0.69 0.00 0.00 174.62 173.94 2e0g s LEU 37 N 2.14 5.90 0.36 4.42 2.96 0.77 -0.25 118.68 134.97 2e0g s LEU 37 Ca 0.03 -1.83 -0.03 0.00 -0.22 0.00 0.00 54.13 52.08 2e0g s LEU 37 Cb -0.15 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2e0g s LEU 37 CO -0.07 -0.76 0.61 0.00 -1.32 0.00 0.00 176.35 174.80 2e0g s ALA 38 N 1.48 3.60 -0.15 5.97 0.00 -0.54 -0.08 121.76 132.03 2e0g s ALA 38 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2e0g s ALA 38 Cb -0.28 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2e0g s ALA 38 CO 0.01 -0.01 -0.13 -0.51 0.00 0.00 0.00 175.76 175.12 2e0g s LEU 39 N -4.15 1.75 -0.31 0.00 2.01 0.13 -1.29 118.68 116.83 2e0g s LEU 39 Ca 0.43 -0.54 -0.11 0.00 0.01 0.00 0.00 54.13 53.92 2e0g s LEU 39 Cb -0.10 -1.18 -0.03 0.00 0.01 0.00 0.00 46.19 44.90 2e0g s LEU 39 CO 0.36 -0.07 0.19 -0.31 1.01 0.00 0.00 176.35 177.53 2e0g s TYR 40 N 1.48 3.20 0.33 0.29 1.51 0.64 0.30 117.35 125.10 2e0g s TYR 40 Ca 0.04 -0.22 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 2e0g s TYR 40 Cb -0.13 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 2e0g s TYR 40 CO -0.10 -0.32 0.19 0.00 -1.11 0.00 0.00 175.55 174.21 2e0g s ALA 41 N 1.70 3.61 -1.17 3.71 0.00 -0.42 -0.06 121.76 129.13 2e0g s ALA 41 Ca 0.06 -1.73 0.14 0.00 0.00 0.00 0.00 51.96 50.43 2e0g s ALA 41 Cb -0.17 -0.92 0.66 0.00 0.00 0.00 0.00 23.12 22.68 2e0g s ALA 41 CO 0.09 0.05 1.43 -0.35 0.00 0.00 0.00 175.76 176.98 2e0g n PRO 42 N -1.22 0.08 -3.49 0.00 -0.04 -1.26 0.26 135.00 129.34 2e0g n PRO 42 Ca -0.03 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2e0g n PRO 42 Cb 0.60 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2e0g n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2e0g n ASN 43 N -1.42 -1.39 0.14 3.54 6.94 -1.26 -3.70 115.26 118.12 2e0g n ASN 43 Ca 0.05 -1.69 0.02 0.00 -0.02 0.00 0.00 54.58 52.94 2e0g n ASN 43 Cb 0.15 2.26 0.09 0.00 -2.36 0.00 0.00 39.78 39.91 2e0g n ASN 43 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2e0g h ARG 44 N 0.00 0.00 0.80 -3.83 3.08 -1.89 -3.29 114.38 109.26 2e0g h ARG 44 Ca -0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2e0g h ARG 44 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 2e0g h ARG 44 CO 0.30 0.53 -0.49 0.74 -1.07 0.00 0.00 179.97 179.98 2e0g h PHE 45 N 0.00 -1.29 -0.49 3.04 0.04 -1.99 -1.81 116.94 114.44 2e0g h PHE 45 Ca -0.01 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.85 2e0g h PHE 45 Cb 1.31 0.46 -0.08 0.00 2.20 0.00 0.00 35.95 39.83 2e0g h PHE 45 CO 0.00 -0.73 -0.04 0.28 -0.60 0.00 0.00 178.31 177.22 2e0g h VAL 46 N -1.20 0.58 -0.17 -0.55 2.07 -1.98 -2.04 116.25 112.95 2e0g h VAL 46 Ca -0.11 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2e0g h VAL 46 Cb 0.96 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2e0g h VAL 46 CO 0.11 0.01 -0.38 -0.07 0.02 0.00 0.00 177.57 177.27 2e0g h LEU 47 N 0.07 -1.20 -0.65 2.57 3.38 -1.59 0.37 115.31 118.26 2e0g h LEU 47 Ca 0.24 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.51 2e0g h LEU 47 Cb 0.37 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 2e0g h LEU 47 CO -0.44 -0.39 0.13 -0.78 0.09 0.00 0.00 178.44 177.05 2e0g h ASP 48 N -0.43 -0.02 0.24 -0.43 1.82 -0.72 0.30 116.42 117.18 2e0g h ASP 48 Ca 0.09 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 2e0g h ASP 48 Cb 0.59 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2e0g h ASP 48 CO -0.40 -0.02 -0.11 -0.25 -1.61 0.00 0.00 179.24 176.84 2e0g h TRP 49 N 0.25 -0.30 -0.10 0.28 2.91 -0.60 -2.23 115.95 116.17 2e0g h TRP 49 Ca 0.35 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.40 2e0g h TRP 49 Cb 0.56 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.26 2e0g h TRP 49 CO -0.27 -0.04 -0.15 0.28 -1.03 0.00 0.00 178.44 177.23 2e0g h VAL 50 N -0.52 0.60 0.00 2.65 2.07 0.36 0.78 116.25 122.18 2e0g h VAL 50 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2e0g h VAL 50 Cb 0.39 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2e0g h VAL 50 CO 0.05 0.00 0.00 -0.09 0.02 0.00 0.00 177.57 177.55 2e0g h ARG 51 N -0.20 0.00 0.10 1.57 1.12 -0.42 0.43 114.38 116.97 2e0g h ARG 51 Ca 0.08 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.95 2e0g h ARG 51 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2e0g h ARG 51 CO -0.22 0.00 -0.05 0.22 -3.11 0.00 0.00 179.97 176.82 2e0g h ASP 52 N 0.00 -0.11 0.00 -3.80 1.82 -0.20 -3.34 116.42 110.79 2e0g h ASP 52 Ca 0.00 -0.47 -0.02 0.00 -0.39 0.00 0.00 57.03 56.15 2e0g h ASP 52 Cb 0.03 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 2e0g h ASP 52 CO 0.00 0.52 -0.94 2.29 -1.61 0.00 0.00 179.24 179.49 2e0g n LYS 53 N -4.84 0.47 -0.37 0.28 0.00 -0.95 -4.36 118.16 108.39 2e0g n LYS 53 Ca -0.08 0.19 -0.03 0.00 -0.00 0.00 0.00 58.31 58.39 2e0g n LYS 53 Cb 0.28 -1.32 0.01 0.00 -0.00 0.00 0.00 35.03 34.00 2e0g n LYS 53 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2e0g h TYR 54 N -0.88 -1.24 -0.16 5.58 3.20 -0.38 -1.22 116.97 121.87 2e0g h TYR 54 Ca -0.03 0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2e0g h TYR 54 Cb 0.91 0.68 -0.04 0.00 1.54 0.00 0.00 36.73 39.82 2e0g h TYR 54 CO -0.37 -0.40 -0.25 1.25 -1.64 0.00 0.00 178.16 176.75 2e0g h LEU 55 N -0.02 -0.84 -0.97 2.82 5.85 -1.59 0.16 115.31 120.72 2e0g h LEU 55 Ca 0.30 0.11 0.23 0.00 0.84 0.00 0.00 57.88 59.35 2e0g h LEU 55 Cb 0.56 0.34 -0.18 0.00 0.37 0.00 0.00 40.66 41.75 2e0g h LEU 55 CO -0.95 -0.19 -0.12 -1.13 -0.34 0.00 0.00 178.44 175.71 2e0g h ASN 56 N -0.20 -0.70 0.05 1.25 -0.00 -1.45 0.35 115.58 114.89 2e0g h ASN 56 Ca 0.03 0.28 -0.00 0.00 -0.00 0.00 0.00 56.30 56.61 2e0g h ASN 56 Cb 0.28 0.54 0.00 0.00 -0.00 0.00 0.00 38.32 39.14 2e0g h ASN 56 CO -0.26 -0.33 -0.03 0.78 -0.00 0.00 0.00 177.43 177.60 2e0g h ASN 57 N 0.01 -0.06 0.25 1.15 2.35 -0.50 -2.10 115.58 116.66 2e0g h ASN 57 Ca 0.52 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.23 2e0g h ASN 57 Cb 0.94 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 2e0g h ASN 57 CO -0.96 0.01 -0.38 0.40 -1.65 0.00 0.00 177.43 174.86 2e0g h ILE 58 N -0.13 0.23 -0.37 2.81 1.08 0.24 -1.59 117.51 119.77 2e0g h ILE 58 Ca -0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2e0g h ILE 58 Cb 0.11 0.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.00 2e0g h ILE 58 CO 0.01 0.00 -0.36 0.78 -0.69 0.00 0.00 178.15 177.90 2e0g h ASN 59 N -0.69 -1.18 -0.96 1.72 -0.26 -0.83 0.29 115.58 113.68 2e0g h ASN 59 Ca -0.00 0.19 0.17 0.00 -0.56 0.00 0.00 56.30 56.10 2e0g h ASN 59 Cb 0.67 0.53 -0.09 0.00 -1.06 0.00 0.00 38.32 38.37 2e0g h ASN 59 CO -0.14 -0.34 0.61 1.23 -1.06 0.00 0.00 177.43 177.72 2e0g h GLY 60 N -0.29 1.44 0.41 2.83 0.00 -1.13 -1.80 103.07 104.53 2e0g h GLY 60 Ca 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2e0g h GLY 60 CO -0.53 0.03 -0.01 -2.00 0.00 0.00 0.00 176.54 174.04 2e0g h LEU 61 N 0.73 -0.02 -0.53 3.11 6.46 0.07 -2.03 115.31 123.10 2e0g h LEU 61 Ca 0.51 -0.57 0.10 0.00 -0.12 0.00 0.00 57.88 57.81 2e0g h LEU 61 Cb 0.82 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.65 2e0g h LEU 61 CO -0.27 0.56 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.82 2e0g h LEU 62 N -0.61 -0.77 -0.20 2.25 4.07 0.09 0.77 115.31 120.90 2e0g h LEU 62 Ca -0.00 0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2e0g h LEU 62 Cb 0.58 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2e0g h LEU 62 CO 0.00 -0.25 0.06 0.74 -1.08 0.00 0.00 178.44 177.92 2e0g h THR 63 N -0.10 1.19 0.00 0.22 2.02 -1.42 -1.48 112.91 113.34 2e0g h THR 63 Ca 0.24 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2e0g h THR 63 Cb 0.48 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2e0g h THR 63 CO -0.59 0.19 -0.00 -1.28 0.37 0.00 0.00 175.52 174.21 2e0g h SER 64 N 0.16 0.00 0.12 4.18 0.87 -0.50 0.26 113.55 118.64 2e0g h SER 64 Ca 0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 2e0g h SER 64 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2e0g h SER 64 CO -0.00 0.00 -0.85 0.15 -0.53 0.00 0.00 176.83 175.60 2e0g h PHE 65 N 0.00 0.45 0.00 2.24 3.57 0.10 -3.45 116.94 119.85 2e0g h PHE 65 Ca -0.00 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2e0g h PHE 65 Cb 0.24 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2e0g h PHE 65 CO 0.00 1.33 -0.24 0.00 -2.23 0.00 0.00 178.31 177.16 2e0g n GLY 67 N 1.87 -1.48 3.38 0.00 0.00 0.90 -4.62 105.19 105.23 2e0g n GLY 67 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2e0g n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e0g n ALA 68 N 0.27 0.00 -0.00 4.61 0.00 -1.26 -4.69 120.51 119.44 2e0g n ALA 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2e0g n ALA 68 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 2e0g n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e0g n ASP 69 N 0.00 3.76 -4.62 0.00 -0.08 -1.26 -5.04 116.55 109.31 2e0g n ASP 69 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 2e0g n ASP 69 Cb 0.00 1.23 0.19 0.00 2.34 0.00 0.00 41.12 44.88 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e0g s ALA 70 N -2.37 0.75 1.00 -1.67 0.00 -1.26 -5.01 121.76 113.20 2e0g s ALA 70 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2e0g s ALA 70 Cb 0.03 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2e0g s ALA 70 CO 0.22 -3.04 0.00 -0.35 0.00 0.00 0.00 175.76 172.60 2e0g n PRO 71 N -4.38 -0.56 -4.22 0.00 -0.04 -1.26 -5.01 135.00 119.54 2e0g n PRO 71 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 2e0g n PRO 71 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.88 2e0g n PRO 71 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2e0g s GLN 72 N -2.32 0.95 -0.09 0.54 -2.07 -0.58 -4.98 119.66 111.11 2e0g s GLN 72 Ca 0.00 -1.10 -0.12 0.00 -1.82 0.00 0.00 55.36 52.32 2e0g s GLN 72 Cb 0.00 -0.96 -0.05 0.00 -1.09 0.00 0.00 33.01 30.91 2e0g s GLN 72 CO 0.00 0.20 0.28 -1.17 -1.32 0.00 0.00 175.29 173.29 2e0g s LEU 73 N -2.05 4.37 0.35 2.60 2.96 -1.26 -0.16 118.68 125.48 2e0g s LEU 73 Ca 0.04 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2e0g s LEU 73 Cb -0.08 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 2e0g s LEU 73 CO 0.03 0.28 0.08 -0.13 -1.32 0.00 0.00 176.35 175.28 2e0g s ARG 74 N -0.53 1.74 0.07 1.98 0.52 0.88 -4.92 118.95 118.68 2e0g s ARG 74 Ca 0.18 -2.00 -0.06 0.00 -0.52 0.00 0.00 55.73 53.33 2e0g s ARG 74 Cb -0.14 -0.80 -0.01 0.00 0.52 0.00 0.00 34.95 34.52 2e0g s ARG 74 CO 0.07 -0.28 0.12 -0.06 0.02 0.00 0.00 175.30 175.18 2e0g s PHE 75 N -3.28 0.25 -0.27 -0.53 0.40 -1.26 0.22 117.98 113.52 2e0g s PHE 75 Ca 0.32 -0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 2e0g s PHE 75 Cb 0.07 -0.16 0.07 0.00 0.51 0.00 0.00 43.02 43.51 2e0g s PHE 75 CO 0.15 -0.48 0.72 -2.00 0.70 0.00 0.00 175.22 174.31 2e0g s GLU 76 N -3.74 0.83 -0.47 0.44 2.12 0.15 -4.74 118.70 113.29 2e0g s GLU 76 Ca 0.04 1.01 -0.19 0.00 0.36 0.00 0.00 54.97 56.20 2e0g s GLU 76 Cb 0.05 0.39 0.04 0.00 0.26 0.00 0.00 34.13 34.87 2e0g s GLU 76 CO -0.10 -0.10 0.57 0.54 -0.54 0.00 0.00 175.26 175.63 2e0g s VAL 77 N 0.47 4.93 0.00 3.70 0.11 -1.26 -1.30 120.40 127.04 2e0g s VAL 77 Ca -0.01 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2e0g s VAL 77 Cb -0.05 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2e0g s VAL 77 CO -0.01 -0.65 0.19 0.61 -3.33 0.00 0.00 175.10 171.91 2e0g n GLY 78 N 5.12 -2.27 3.79 6.54 0.00 0.14 -4.69 105.19 113.82 2e0g n GLY 78 Ca -0.06 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2e0g n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e0g s THR 79 N -0.38 5.17 0.23 2.61 -4.23 -1.24 -4.99 115.64 112.80 2e0g s THR 79 Ca 0.00 0.73 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 2e0g s THR 79 Cb 0.00 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2e0g s THR 79 CO 0.00 0.49 -0.03 -1.59 -0.54 0.00 0.00 174.62 172.95 2e0g s LYS 80 N -0.40 2.24 1.00 3.99 -2.85 -1.26 -4.17 119.74 118.29 2e0g s LYS 80 Ca 0.22 -1.33 -0.12 0.00 -1.00 0.00 0.00 55.97 53.73 2e0g s LYS 80 Cb -0.15 -2.19 0.19 0.00 -2.06 0.00 0.00 37.83 33.62 2e0g s LYS 80 CO 0.10 0.40 1.09 -1.25 0.10 0.00 0.00 175.35 175.79 2e0g s PRO 81 N -3.31 0.44 0.01 1.78 0.04 -1.26 -5.09 135.00 127.61 2e0g s PRO 81 Ca 0.29 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 61.83 2e0g s PRO 81 Cb -0.08 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2e0g s PRO 81 CO 0.18 -2.73 0.04 0.08 0.04 0.00 0.00 177.00 174.62 2e0g s VAL 82 N -2.96 0.09 -0.24 -0.36 1.01 -1.26 -5.16 120.40 111.52 2e0g s VAL 82 Ca 0.65 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 2e0g s VAL 82 Cb -0.19 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2e0g s VAL 82 CO 0.58 -0.41 0.63 0.28 0.00 0.00 0.00 175.10 176.18 2e0g s THR 83 N -1.29 -0.00 -0.01 3.92 -1.32 -1.26 -5.17 115.64 110.51 2e0g s THR 83 Ca -0.14 0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.05 2e0g s THR 83 Cb -0.08 -0.88 0.11 0.00 -1.51 0.00 0.00 72.50 70.14 2e0g s THR 83 CO 0.00 0.00 1.23 -1.58 -2.21 0.00 0.00 174.62 172.07 2e0g s GLN 84 N 0.75 0.50 0.12 7.08 0.74 -1.26 -5.19 119.66 122.40 2e0g s GLN 84 Ca -0.03 -0.27 -0.17 0.00 0.05 0.00 0.00 55.36 54.94 2e0g s GLN 84 Cb -0.05 0.18 0.04 0.00 1.10 0.00 0.00 33.01 34.28 2e0g s GLN 84 CO -0.05 -0.23 0.42 0.95 -0.55 0.00 0.00 175.29 175.83 2e0g s THR 85 N -2.55 0.06 0.93 -0.34 -4.23 -1.26 -5.17 115.64 103.08 2e0g s THR 85 Ca 0.13 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 2e0g s THR 85 Cb 0.03 -1.14 0.15 0.00 1.34 0.00 0.00 72.50 72.89 2e0g s THR 85 CO -0.03 -0.28 1.09 -2.16 -0.54 0.00 0.00 174.62 172.70 2e0g s PRO 86 N -3.70 1.00 -0.29 3.99 0.04 -1.26 -5.08 135.00 129.69 2e0g s PRO 86 Ca 0.02 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 61.63 2e0g s PRO 86 Cb 0.01 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.95 2e0g s PRO 86 CO -0.11 -2.40 1.12 -1.14 0.04 0.00 0.00 177.00 174.51 2e0g s GLN 87 N -4.94 0.22 -0.13 4.56 0.74 -1.26 -5.19 119.66 113.66 2e0g s GLN 87 Ca 0.64 0.37 -0.34 0.00 0.05 0.00 0.00 55.36 56.08 2e0g s GLN 87 Cb -0.18 0.05 0.14 0.00 1.10 0.00 0.00 33.01 34.12 2e0g s GLN 87 CO 0.57 -0.05 1.37 0.00 -0.55 0.00 0.00 175.29 176.63 2e0g s ALA 88 N 1.16 -2.33 -0.28 1.58 0.00 -1.26 -5.19 121.76 115.45 2e0g s ALA 88 Ca -0.08 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.80 2e0g s ALA 88 Cb -0.03 0.07 0.18 0.00 0.00 0.00 0.00 23.12 23.35 2e0g s ALA 88 CO -0.12 -0.89 1.35 0.00 0.00 0.00 0.00 175.76 176.10 2e0g s ALA 89 N -2.17 -2.14 -0.04 0.00 0.00 -1.26 -5.18 121.76 110.97 2e0g s ALA 89 Ca 0.13 1.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.78 2e0g s ALA 89 Cb 0.04 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.61 2e0g s ALA 89 CO -0.05 -0.18 0.22 0.54 0.00 0.00 0.00 175.76 176.29 2e0g s VAL 90 N -0.52 0.04 -0.23 0.00 0.11 -1.26 -5.16 120.40 113.38 2e0g s VAL 90 Ca 0.07 -0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 58.52 2e0g s VAL 90 Cb -0.03 -0.42 0.15 0.00 -1.53 0.00 0.00 36.38 34.55 2e0g s VAL 90 CO -0.10 -0.17 1.15 0.42 -3.33 0.00 0.00 175.10 173.06 2e0g s THR 91 N -0.65 0.00 -0.17 5.04 -4.23 -1.26 -5.19 115.64 109.18 2e0g s THR 91 Ca -0.07 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.09 2e0g s THR 91 Cb -0.04 -1.00 0.14 0.00 1.34 0.00 0.00 72.50 72.94 2e0g s THR 91 CO 0.02 0.00 1.31 -0.94 -0.54 0.00 0.00 174.62 174.46 2e0g s SER 92 N -0.74 -0.07 -0.30 3.99 1.04 -1.26 -5.18 113.70 111.19 2e0g s SER 92 Ca 0.03 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 2e0g s SER 92 Cb -0.02 0.09 0.20 0.00 0.10 0.00 0.00 66.02 66.39 2e0g s SER 92 CO -0.04 -0.16 1.32 0.54 0.98 0.00 0.00 173.24 175.88 2e0g s ASN 93 N -2.41 -0.08 0.02 7.02 2.20 -1.26 -5.18 114.94 115.24 2e0g s ASN 93 Ca 0.12 0.14 -0.01 0.00 -0.94 0.00 0.00 52.86 52.17 2e0g s ASN 93 Cb 0.01 0.63 -0.02 0.00 -2.00 0.00 0.00 41.25 39.88 2e0g s ASN 93 CO -0.04 -0.02 -0.01 -0.69 -2.94 0.00 0.00 177.10 173.40 2e0g s VAL 94 N 0.60 0.10 -0.28 3.54 1.01 -1.26 -5.16 120.40 118.95 2e0g s VAL 94 Ca -0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2e0g s VAL 94 Cb -0.04 -0.27 0.19 0.00 0.00 0.00 0.00 36.38 36.27 2e0g s VAL 94 CO -0.12 -0.46 1.34 0.00 0.00 0.00 0.00 175.10 175.86 2e0g s ALA 95 N -1.38 -2.11 0.13 5.51 0.00 -1.26 -5.19 121.76 117.46 2e0g s ALA 95 Ca -0.15 1.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 2e0g s ALA 95 Cb -0.09 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.57 2e0g s ALA 95 CO -0.01 -0.23 0.40 0.00 0.00 0.00 0.00 175.76 175.92 2e0g s ALA 96 N -0.96 -0.90 1.12 0.00 0.00 -1.26 -5.18 121.76 114.58 2e0g s ALA 96 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2e0g s ALA 96 Cb -0.01 0.70 0.15 0.00 0.00 0.00 0.00 23.12 23.96 2e0g s ALA 96 CO -0.08 -0.65 0.53 -0.35 0.00 0.00 0.00 175.76 175.21 2e0g n PRO 97 N -0.23 -2.07 -3.52 0.00 -0.04 -1.26 -5.10 135.00 122.79 2e0g n PRO 97 Ca -0.15 -0.85 0.02 0.00 -0.04 0.00 0.00 63.50 62.48 2e0g n PRO 97 Cb 0.64 -0.80 -0.05 0.00 -0.04 0.00 0.00 33.50 33.24 2e0g n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g s ALA 98 N -2.99 -2.82 0.12 0.55 0.00 -1.26 -5.19 121.76 110.17 2e0g s ALA 98 Ca 0.35 1.94 -0.25 0.00 0.00 0.00 0.00 51.96 54.00 2e0g s ALA 98 Cb -0.03 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 21.10 2e0g s ALA 98 CO 0.27 -0.51 0.86 -0.65 0.00 0.00 0.00 175.76 175.73 2e0g s GLN 99 N 1.37 1.16 -0.22 0.00 -0.21 -1.26 -5.19 119.66 115.31 2e0g s GLN 99 Ca -0.06 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 2e0g s GLN 99 Cb -0.02 0.45 0.16 0.00 1.00 0.00 0.00 33.01 34.60 2e0g s GLN 99 CO -0.12 -0.52 1.19 0.54 -2.12 0.00 0.00 175.29 174.26 2e0g s VAL 100 N -3.37 0.00 -0.03 1.09 0.11 -1.26 -5.19 120.40 111.75 2e0g s VAL 100 Ca 0.08 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.83 2e0g s VAL 100 Cb -0.02 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.94 2e0g s VAL 100 CO -0.03 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 172.88 2e0g s ALA 101 N -1.22 -2.01 -0.27 1.54 0.00 -1.26 -5.19 121.76 113.35 2e0g s ALA 101 Ca 0.05 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 2e0g s ALA 101 Cb -0.01 0.28 0.19 0.00 0.00 0.00 0.00 23.12 23.58 2e0g s ALA 101 CO -0.04 -0.86 1.33 -1.14 0.00 0.00 0.00 175.76 175.05 2e0g s GLN 102 N -2.69 0.11 -0.26 0.00 0.74 -1.26 -5.19 119.66 111.11 2e0g s GLN 102 Ca 0.11 0.03 -0.33 0.00 0.05 0.00 0.00 55.36 55.23 2e0g s GLN 102 Cb 0.01 0.05 0.17 0.00 1.10 0.00 0.00 33.01 34.34 2e0g s GLN 102 CO -0.04 -0.03 1.32 -0.08 -0.55 0.00 0.00 175.29 175.91 2e0g s THR 103 N -0.94 0.00 -0.36 -0.34 -1.32 -1.26 -5.12 115.64 106.30 2e0g s THR 103 Ca 0.08 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.54 2e0g s THR 103 Cb -0.01 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.24 2e0g s THR 103 CO -0.08 0.00 1.15 1.67 -2.21 0.00 0.00 174.62 175.15 2e0g n GLN 104 N 0.30 0.23 -2.26 7.08 -0.06 -1.26 -5.16 117.38 116.26 2e0g n GLN 104 Ca 0.01 -0.90 -0.39 0.00 -2.00 0.00 0.00 57.00 53.72 2e0g n GLN 104 Cb 0.58 -0.40 -0.02 0.00 -4.06 0.00 0.00 30.24 26.35 2e0g n GLN 104 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2e0g s PRO 105 N 0.36 4.08 0.31 3.69 0.04 -1.26 -5.04 135.00 137.18 2e0g s PRO 105 Ca 0.27 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.12 2e0g s PRO 105 Cb 0.19 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 32.01 2e0g s PRO 105 CO -0.11 -0.31 0.53 -0.65 0.04 0.00 0.00 177.00 176.50 2e0g s GLN 106 N -2.22 1.81 0.00 4.56 -0.21 -1.26 -5.38 119.66 116.97 2e0g s GLN 106 Ca 0.56 -1.48 0.07 0.00 0.02 0.00 0.00 55.36 54.54 2e0g s GLN 106 Cb -0.32 0.49 0.44 0.00 1.00 0.00 0.00 33.01 34.62 2e0g s GLN 106 CO 0.41 -0.77 0.90 -2.13 -2.12 0.00 0.00 175.29 171.58