#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg4 n ARG 4 N 0.00 0.30 -3.99 -1.09 1.74 -1.26 -4.59 116.66 107.76 1sg4 n ARG 4 Ca 0.00 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1sg4 n ARG 4 Cb 0.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 1sg4 n ARG 4 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sg4 s VAL 5 N -2.67 1.80 -0.27 1.55 1.01 -1.26 -0.40 120.40 120.15 1sg4 s VAL 5 Ca 0.23 -1.39 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1sg4 s VAL 5 Cb 0.18 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1sg4 s VAL 5 CO 0.43 -0.06 0.45 -0.76 0.00 0.00 0.00 175.10 175.16 1sg4 s LEU 6 N 1.27 4.05 -0.23 3.92 1.43 -0.18 -4.91 118.68 124.04 1sg4 s LEU 6 Ca -0.07 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1sg4 s LEU 6 Cb -0.19 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1sg4 s LEU 6 CO -0.06 -0.24 0.05 -0.69 0.23 0.00 0.00 176.35 175.64 1sg4 s VAL 7 N 2.20 4.26 -0.40 -1.59 1.01 -1.26 -0.09 120.40 124.52 1sg4 s VAL 7 Ca 0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1sg4 s VAL 7 Cb -0.16 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.33 1sg4 s VAL 7 CO 0.10 0.38 0.22 -1.61 0.00 0.00 0.00 175.10 174.19 1sg4 s GLU 8 N 1.31 2.53 0.15 2.72 2.02 0.63 -4.96 118.70 123.08 1sg4 s GLU 8 Ca 0.05 -1.46 -0.09 0.00 0.02 0.00 0.00 54.97 53.49 1sg4 s GLU 8 Cb -0.15 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.33 1sg4 s GLU 8 CO 0.03 -0.92 0.45 -1.25 0.02 0.00 0.00 175.26 173.58 1sg4 s PRO 9 N 1.38 3.75 -0.51 0.39 0.04 -1.26 -1.08 135.00 137.70 1sg4 s PRO 9 Ca 0.03 0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.27 1sg4 s PRO 9 Cb -0.22 -2.84 0.19 0.00 0.04 0.00 0.00 34.50 31.67 1sg4 s PRO 9 CO 0.01 0.45 0.46 -3.47 0.04 0.00 0.00 177.00 174.49 1sg4 n ASP 10 N 0.33 0.98 -0.28 6.66 -0.08 0.76 -4.98 116.55 119.92 1sg4 n ASP 10 Ca -0.03 -2.76 0.08 0.00 -1.51 0.00 0.00 54.79 50.57 1sg4 n ASP 10 Cb 0.52 -0.63 0.31 0.00 2.34 0.00 0.00 41.12 43.66 1sg4 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sg4 h ALA 11 N 5.12 1.68 -0.20 -1.67 0.00 -1.87 0.37 119.26 122.69 1sg4 h ALA 11 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sg4 h ALA 11 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sg4 h ALA 11 CO 0.52 0.12 -0.01 0.78 0.00 0.00 0.00 179.25 180.67 1sg4 h GLY 12 N 0.84 0.31 0.80 0.00 0.00 -1.93 -1.67 103.07 101.42 1sg4 h GLY 12 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1sg4 h GLY 12 CO -0.19 0.15 -0.61 0.00 0.00 0.00 0.00 176.54 175.89 1sg4 n ALA 13 N -2.49 3.77 -1.04 3.60 0.00 -0.54 -4.97 120.51 118.84 1sg4 n ALA 13 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 1sg4 n ALA 13 Cb 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1sg4 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg4 n GLY 14 N 1.49 0.52 3.29 0.00 0.00 0.01 -4.98 105.19 105.51 1sg4 n GLY 14 Ca 0.05 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 1sg4 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sg4 s VAL 15 N -2.00 1.89 0.11 1.61 1.01 -1.04 -0.68 120.40 121.30 1sg4 s VAL 15 Ca 0.00 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1sg4 s VAL 15 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1sg4 s VAL 15 CO 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 1sg4 s ALA 16 N -0.71 1.79 -0.18 5.51 0.00 -0.72 -0.17 121.76 127.28 1sg4 s ALA 16 Ca 0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1sg4 s ALA 16 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1sg4 s ALA 16 CO 0.01 0.33 -0.02 0.08 0.00 0.00 0.00 175.76 176.16 1sg4 s VAL 17 N -1.30 3.88 -0.35 0.00 1.01 -0.25 -1.53 120.40 121.87 1sg4 s VAL 17 Ca 0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1sg4 s VAL 17 Cb -0.09 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1sg4 s VAL 17 CO 0.04 0.46 0.22 -0.04 0.00 0.00 0.00 175.10 175.78 1sg4 s MET 18 N 0.75 3.29 -0.22 2.72 -1.94 0.50 -0.27 119.30 124.13 1sg4 s MET 18 Ca -0.01 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.15 1sg4 s MET 18 Cb -0.14 -3.76 -0.01 0.00 2.01 0.00 0.00 34.83 32.92 1sg4 s MET 18 CO 0.02 -0.52 -0.02 0.15 -0.01 0.00 0.00 175.02 174.65 1sg4 s LYS 19 N 1.67 3.46 0.10 2.03 1.02 0.86 -1.90 119.74 126.98 1sg4 s LYS 19 Ca 0.05 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 1sg4 s LYS 19 Cb -0.18 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 1sg4 s LYS 19 CO 0.09 -0.15 1.26 -0.06 -0.92 0.00 0.00 175.35 175.57 1sg4 s PHE 20 N 1.40 3.37 -0.37 3.18 0.08 0.54 -1.01 117.98 125.16 1sg4 s PHE 20 Ca 0.05 1.20 0.12 0.00 0.12 0.00 0.00 56.93 58.41 1sg4 s PHE 20 Cb -0.14 -3.51 0.34 0.00 -0.57 0.00 0.00 43.02 39.14 1sg4 s PHE 20 CO -0.01 -1.65 0.73 1.17 -0.10 0.00 0.00 175.22 175.36 1sg4 n LYS 21 N 3.75 0.95 -3.72 0.44 4.81 0.46 -0.84 118.16 124.02 1sg4 n LYS 21 Ca 0.09 -3.32 -0.28 0.00 -0.87 0.00 0.00 58.31 53.93 1sg4 n LYS 21 Cb 0.45 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.74 1sg4 n LYS 21 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sg4 n ASN 22 N 0.36 3.34 -4.73 3.14 5.15 -1.25 -4.26 115.26 117.01 1sg4 n ASN 22 Ca 0.24 -3.31 -0.33 0.00 -0.60 0.00 0.00 54.58 50.59 1sg4 n ASN 22 Cb 0.65 -0.73 0.10 0.00 -0.53 0.00 0.00 39.78 39.28 1sg4 n ASN 22 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1sg4 s PRO 23 N -1.86 1.98 0.04 1.20 0.04 -1.26 -0.53 135.00 134.61 1sg4 s PRO 23 Ca 0.31 1.54 0.25 0.00 0.04 0.00 0.00 61.00 63.13 1sg4 s PRO 23 Cb 0.03 -1.84 0.45 0.00 0.04 0.00 0.00 34.50 33.19 1sg4 s PRO 23 CO -0.11 -1.91 1.38 -0.35 0.04 0.00 0.00 177.00 176.05 1sg4 n PRO 24 N -3.21 0.11 -0.94 0.56 -0.04 -1.26 -4.76 135.00 125.46 1sg4 n PRO 24 Ca 0.12 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1sg4 n PRO 24 Cb 0.51 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1sg4 n PRO 24 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sg4 n VAL 25 N -1.73 0.15 -4.04 0.52 0.24 -1.21 -4.96 118.33 107.30 1sg4 n VAL 25 Ca 0.05 -0.65 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 1sg4 n VAL 25 Cb 0.38 0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 33.41 1sg4 n VAL 25 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sg4 n ASN 26 N 0.14 -2.53 -4.77 -1.34 3.02 0.31 -1.03 115.26 109.06 1sg4 n ASN 26 Ca 0.04 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.24 1sg4 n ASN 26 Cb 0.90 -3.18 0.01 0.00 -0.61 0.00 0.00 39.78 36.90 1sg4 n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sg4 s SER 27 N -3.72 6.11 -1.40 6.41 0.01 -1.25 -4.05 113.70 115.82 1sg4 s SER 27 Ca 0.44 3.00 -0.12 0.00 1.31 0.00 0.00 55.95 60.58 1sg4 s SER 27 Cb -0.23 -2.66 0.08 0.00 0.21 0.00 0.00 66.02 63.42 1sg4 s SER 27 CO 0.89 -1.02 2.16 0.18 0.41 0.00 0.00 173.24 175.85 1sg4 n LEU 28 N 0.15 6.99 -4.62 2.44 4.77 0.30 -4.82 117.00 122.20 1sg4 n LEU 28 Ca 0.03 -4.38 -0.29 0.00 -0.03 0.00 0.00 56.01 51.33 1sg4 n LEU 28 Cb 0.40 -1.57 0.19 0.00 -2.33 0.00 0.00 43.42 40.12 1sg4 n LEU 28 CO 0.61 1.33 0.61 -0.94 -1.33 0.00 0.00 177.39 177.67 1sg4 s SER 29 N 2.10 2.30 0.26 -1.43 1.04 -1.26 -3.76 113.70 112.95 1sg4 s SER 29 Ca 0.46 1.52 -0.05 0.00 0.48 0.00 0.00 55.95 58.36 1sg4 s SER 29 Cb 0.13 -2.20 0.29 0.00 0.10 0.00 0.00 66.02 64.35 1sg4 s SER 29 CO -0.05 -3.38 1.94 0.25 0.98 0.00 0.00 173.24 172.97 1sg4 h LEU 30 N -2.06 1.12 0.01 2.42 5.85 -1.96 0.56 115.31 121.26 1sg4 h LEU 30 Ca -0.54 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1sg4 h LEU 30 Cb 1.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1sg4 h LEU 30 CO 0.52 0.81 -0.15 -0.08 -0.34 0.00 0.00 178.44 179.20 1sg4 h GLU 31 N 1.32 -0.25 -0.52 1.25 4.81 -1.97 -2.00 114.58 117.21 1sg4 h GLU 31 Ca 0.36 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1sg4 h GLU 31 Cb -0.15 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1sg4 h GLU 31 CO -0.08 -0.17 -0.12 0.35 -0.73 0.00 0.00 179.01 178.27 1sg4 h PHE 32 N -0.26 1.10 -0.46 0.92 3.57 -1.72 -1.57 116.94 118.51 1sg4 h PHE 32 Ca 0.05 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.41 1sg4 h PHE 32 Cb 0.32 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 1sg4 h PHE 32 CO -0.20 1.03 0.00 -0.07 -2.23 0.00 0.00 178.31 176.84 1sg4 h LEU 33 N 0.87 -0.19 -0.82 0.59 3.38 -0.77 -0.43 115.31 117.94 1sg4 h LEU 33 Ca 0.14 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 1sg4 h LEU 33 Cb 0.67 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1sg4 h LEU 33 CO 0.05 -0.06 -0.56 0.71 0.09 0.00 0.00 178.44 178.67 1sg4 h THR 34 N 0.11 1.33 -0.36 0.22 1.35 -1.01 -1.45 112.91 113.10 1sg4 h THR 34 Ca 0.23 -1.97 -0.11 0.00 -0.55 0.00 0.00 66.41 64.01 1sg4 h THR 34 Cb 0.34 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1sg4 h THR 34 CO -0.38 0.55 -0.22 -0.33 -0.25 0.00 0.00 175.52 174.88 1sg4 h GLU 35 N 0.00 0.71 -0.38 4.72 5.08 -0.79 -1.11 114.58 122.81 1sg4 h GLU 35 Ca -0.01 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1sg4 h GLU 35 Cb 1.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1sg4 h GLU 35 CO 0.07 0.87 0.04 -0.07 -1.00 0.00 0.00 179.01 178.92 1sg4 h LEU 36 N 0.62 0.62 -0.28 1.33 3.38 -0.74 -0.28 115.31 119.96 1sg4 h LEU 36 Ca 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sg4 h LEU 36 Cb 0.71 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1sg4 h LEU 36 CO 0.05 0.75 0.18 0.58 0.09 0.00 0.00 178.44 180.09 1sg4 h VAL 37 N 0.47 1.09 -0.55 1.22 2.07 -1.11 -1.19 116.25 118.27 1sg4 h VAL 37 Ca 0.11 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1sg4 h VAL 37 Cb 0.40 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1sg4 h VAL 37 CO 0.01 0.09 -0.01 0.40 0.02 0.00 0.00 177.57 178.09 1sg4 h ILE 38 N 0.37 1.26 -0.60 4.57 1.08 -1.15 -0.79 117.51 122.25 1sg4 h ILE 38 Ca 0.10 -1.12 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 1sg4 h ILE 38 Cb -0.01 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1sg4 h ILE 38 CO -0.02 0.40 0.26 0.28 -0.69 0.00 0.00 178.15 178.38 1sg4 h SER 39 N 0.85 0.81 -0.51 1.72 0.02 -0.88 -0.75 113.55 114.81 1sg4 h SER 39 Ca 0.15 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1sg4 h SER 39 Cb 0.55 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1sg4 h SER 39 CO 0.03 0.74 0.11 0.25 -1.14 0.00 0.00 176.83 176.83 1sg4 h LEU 40 N 0.83 0.79 -1.24 5.07 5.85 -1.02 -2.25 115.31 123.33 1sg4 h LEU 40 Ca 0.20 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1sg4 h LEU 40 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1sg4 h LEU 40 CO -0.02 0.82 0.07 -0.33 -0.34 0.00 0.00 178.44 178.65 1sg4 h GLU 41 N 0.71 0.60 -0.42 1.25 5.08 -0.68 -0.20 114.58 120.92 1sg4 h GLU 41 Ca 0.16 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1sg4 h GLU 41 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1sg4 h GLU 41 CO 0.00 0.57 -0.23 0.87 -1.00 0.00 0.00 179.01 179.23 1sg4 h LYS 42 N 0.58 0.84 -0.05 2.33 1.57 -0.94 -0.28 116.57 120.61 1sg4 h LYS 42 Ca 0.13 -0.35 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 1sg4 h LYS 42 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1sg4 h LYS 42 CO 0.00 0.98 -0.78 -0.07 -0.57 0.00 0.00 179.45 179.01 1sg4 h LEU 43 N 0.73 0.47 -0.55 2.94 3.38 -0.88 -1.22 115.31 120.17 1sg4 h LEU 43 Ca 0.10 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1sg4 h LEU 43 Cb 0.76 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1sg4 h LEU 43 CO 0.06 1.08 0.33 -0.33 0.09 0.00 0.00 178.44 179.67 1sg4 h GLU 44 N 0.25 0.64 0.00 1.13 5.08 -0.80 -3.02 114.58 117.85 1sg4 h GLU 44 Ca -0.04 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1sg4 h GLU 44 Cb 1.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1sg4 h GLU 44 CO 0.13 0.42 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.24 1sg4 h ASN 45 N 0.65 0.00 -3.22 1.42 2.35 -0.77 -3.42 115.58 112.59 1sg4 h ASN 45 Ca 0.22 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.40 1sg4 h ASN 45 Cb 0.03 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1sg4 h ASN 45 CO -0.10 0.41 0.84 -0.62 -1.65 0.00 0.00 177.43 176.31 1sg4 s ASP 46 N -6.40 6.96 0.00 5.81 -1.08 -0.49 -4.87 116.67 116.61 1sg4 s ASP 46 Ca 0.03 1.17 0.21 0.00 -0.52 0.00 0.00 52.55 53.45 1sg4 s ASP 46 Cb 0.08 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.92 1sg4 s ASP 46 CO 0.71 -0.83 1.69 0.29 0.52 0.00 0.00 175.17 177.55 1sg4 n LYS 47 N 6.74 0.00 0.25 4.34 4.76 -1.26 -1.52 118.16 131.47 1sg4 n LYS 47 Ca 0.12 0.13 0.15 0.00 -2.87 0.00 0.00 58.31 55.84 1sg4 n LYS 47 Cb 0.47 -1.50 0.46 0.00 -1.84 0.00 0.00 35.03 32.61 1sg4 n LYS 47 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1sg4 h SER 48 N 0.00 0.00 -3.44 4.39 0.02 -1.91 -3.44 113.55 109.17 1sg4 h SER 48 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1sg4 h SER 48 Cb 0.37 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.66 1sg4 h SER 48 CO 0.00 0.00 -0.73 -0.36 -1.14 0.00 0.00 176.83 174.60 1sg4 s PHE 49 N -3.45 2.86 0.00 3.45 0.08 -0.57 -4.06 117.98 116.29 1sg4 s PHE 49 Ca 0.04 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1sg4 s PHE 49 Cb 0.07 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1sg4 s PHE 49 CO 0.59 -0.06 0.08 0.54 -0.10 0.00 0.00 175.22 176.27 1sg4 n ARG 50 N 3.24 3.83 -3.95 0.44 1.74 0.15 -4.79 116.66 117.32 1sg4 n ARG 50 Ca -0.18 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.72 1sg4 n ARG 50 Cb 0.53 -0.48 -0.10 0.00 -1.02 0.00 0.00 32.46 31.38 1sg4 n ARG 50 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sg4 s GLY 51 N -0.57 0.20 -0.02 -0.13 0.00 -0.96 -1.58 107.32 104.26 1sg4 s GLY 51 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1sg4 s GLY 51 CO 0.00 -0.63 -0.01 0.14 0.00 0.00 0.00 173.10 172.59 1sg4 s VAL 52 N -1.90 0.18 -0.21 1.40 1.01 0.36 -1.75 120.40 119.49 1sg4 s VAL 52 Ca -0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1sg4 s VAL 52 Cb -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1sg4 s VAL 52 CO -0.02 0.10 0.16 -0.63 0.00 0.00 0.00 175.10 174.71 1sg4 s ILE 53 N 0.48 5.38 -0.18 2.22 1.01 -0.58 -1.30 121.20 128.23 1sg4 s ILE 53 Ca -0.05 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 1sg4 s ILE 53 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1sg4 s ILE 53 CO -0.01 0.39 0.10 -0.76 0.00 0.00 0.00 174.94 174.67 1sg4 s LEU 54 N 0.67 4.06 0.23 2.97 1.43 0.67 -0.37 118.68 128.34 1sg4 s LEU 54 Ca 0.08 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 1sg4 s LEU 54 Cb -0.12 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1sg4 s LEU 54 CO 0.01 0.22 0.67 0.28 0.23 0.00 0.00 176.35 177.76 1sg4 s THR 55 N 0.13 0.00 0.14 5.49 -1.32 -0.80 -0.89 115.64 118.39 1sg4 s THR 55 Ca 0.07 -0.65 -0.23 0.00 -1.21 0.00 0.00 61.69 59.68 1sg4 s THR 55 Cb -0.12 -1.64 -0.08 0.00 -1.51 0.00 0.00 72.50 69.16 1sg4 s THR 55 CO -0.00 -0.00 0.70 -0.55 -2.21 0.00 0.00 174.62 172.56 1sg4 s SER 56 N -2.86 7.26 0.30 8.08 0.15 -1.26 -0.34 113.70 125.03 1sg4 s SER 56 Ca 0.08 1.50 -0.01 0.00 0.70 0.00 0.00 55.95 58.22 1sg4 s SER 56 Cb -0.04 -2.45 0.47 0.00 -1.71 0.00 0.00 66.02 62.29 1sg4 s SER 56 CO -0.00 0.22 1.94 -0.78 1.20 0.00 0.00 173.24 175.82 1sg4 h ASP 57 N 4.34 0.86 -3.56 5.45 3.58 -1.24 -3.40 116.42 122.45 1sg4 h ASP 57 Ca -0.48 -0.05 -0.66 0.00 0.42 0.00 0.00 57.03 56.26 1sg4 h ASP 57 Cb 1.21 -0.22 -0.25 0.00 1.72 0.00 0.00 39.33 41.79 1sg4 h ASP 57 CO 0.65 0.67 -0.65 -0.60 -2.88 0.00 0.00 179.24 176.43 1sg4 s ARG 58 N -5.70 3.46 0.63 0.28 3.52 -1.26 -5.05 118.95 114.83 1sg4 s ARG 58 Ca -0.11 -0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 1sg4 s ARG 58 Cb 0.17 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1sg4 s ARG 58 CO 0.79 -0.24 1.17 -2.14 -0.81 0.00 0.00 175.30 174.07 1sg4 s PRO 59 N 1.55 2.80 0.00 5.12 0.02 -1.26 -4.32 135.00 138.91 1sg4 s PRO 59 Ca 0.05 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1sg4 s PRO 59 Cb -0.15 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1sg4 s PRO 59 CO 0.01 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 1sg4 n GLY 60 N 0.14 3.89 2.87 0.52 0.00 -0.20 -5.00 105.19 107.41 1sg4 n GLY 60 Ca 0.12 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1sg4 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sg4 s VAL 61 N 0.00 0.81 -0.03 1.61 1.01 -1.26 -1.01 120.40 121.52 1sg4 s VAL 61 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1sg4 s VAL 61 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 1sg4 s VAL 61 CO 0.00 0.33 0.72 0.15 0.00 0.00 0.00 175.10 176.29 1sg4 h PHE 62 N 8.08 -0.55 -2.33 5.22 3.57 -0.92 -3.44 116.94 126.56 1sg4 h PHE 62 Ca -0.27 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.14 1sg4 h PHE 62 Cb 1.13 0.18 -0.23 0.00 2.79 0.00 0.00 35.95 39.83 1sg4 h PHE 62 CO 0.48 -0.33 -0.06 0.45 -2.23 0.00 0.00 178.31 176.62 1sg4 s SER 63 N -4.88 -0.64 0.00 0.41 0.15 -1.19 -4.69 113.70 102.86 1sg4 s SER 63 Ca -0.09 1.18 0.21 0.00 0.70 0.00 0.00 55.95 57.95 1sg4 s SER 63 Cb 0.01 1.15 1.09 0.00 -1.71 0.00 0.00 66.02 66.56 1sg4 s SER 63 CO 0.28 -0.21 1.69 0.00 1.20 0.00 0.00 173.24 176.20 1sg4 n ALA 64 N 3.19 2.12 0.00 5.45 0.00 -0.20 -3.89 120.51 127.18 1sg4 n ALA 64 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1sg4 n ALA 64 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1sg4 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg4 n GLY 65 N 0.53 -0.78 3.74 0.00 0.00 -1.26 -4.63 105.19 102.80 1sg4 n GLY 65 Ca 0.10 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1sg4 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg4 s LEU 66 N 0.00 3.62 -0.51 0.99 1.43 -1.26 -0.54 118.68 122.41 1sg4 s LEU 66 Ca 0.00 2.48 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 1sg4 s LEU 66 Cb 0.00 -4.61 0.04 0.00 0.03 0.00 0.00 46.19 41.65 1sg4 s LEU 66 CO 0.00 -1.77 0.90 -0.62 0.23 0.00 0.00 176.35 175.09 1sg4 s ASP 67 N -1.53 6.39 0.63 2.29 -1.08 -1.25 -4.70 116.67 117.42 1sg4 s ASP 67 Ca 0.79 -0.21 0.38 0.00 -0.52 0.00 0.00 52.55 52.98 1sg4 s ASP 67 Cb -0.33 -2.43 2.11 0.00 -1.46 0.00 0.00 42.92 40.82 1sg4 s ASP 67 CO 0.36 -1.12 2.30 -0.07 0.52 0.00 0.00 175.17 177.16 1sg4 h LEU 68 N 10.69 0.00 -0.56 -1.34 3.38 -1.95 0.00 115.31 125.53 1sg4 h LEU 68 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sg4 h LEU 68 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1sg4 h LEU 68 CO 1.05 0.01 0.00 0.71 0.09 0.00 0.00 178.44 180.29 1sg4 h THR 69 N 0.00 0.00 0.00 0.22 1.35 -1.90 -0.67 112.91 111.90 1sg4 h THR 69 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1sg4 h THR 69 Cb 0.03 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1sg4 h THR 69 CO 0.00 0.00 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.84 1sg4 h GLU 70 N 0.00 0.00 -0.00 4.72 4.39 -1.39 -3.36 114.58 118.93 1sg4 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sg4 h GLU 70 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1sg4 h GLU 70 CO 0.00 0.00 -0.02 -1.33 -1.16 0.00 0.00 179.01 176.50 1sg4 n MET 71 N -2.53 0.40 -4.02 2.33 2.81 -0.34 -4.59 117.12 111.18 1sg4 n MET 71 Ca 0.05 -0.64 -0.33 0.00 -1.81 0.00 0.00 57.70 54.96 1sg4 n MET 71 Cb 0.47 -1.02 -0.15 0.00 -0.71 0.00 0.00 33.22 31.81 1sg4 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sg4 n GLY 73 N 4.55 -0.27 3.90 0.00 0.00 -1.26 -4.90 105.19 107.21 1sg4 n GLY 73 Ca -0.16 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 1sg4 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sg4 s ARG 74 N -5.04 2.46 0.65 1.61 1.81 -1.26 -5.12 118.95 114.06 1sg4 s ARG 74 Ca 0.09 -1.64 -0.13 0.00 -1.72 0.00 0.00 55.73 52.33 1sg4 s ARG 74 Cb -0.04 -2.35 -0.01 0.00 -0.45 0.00 0.00 34.95 32.10 1sg4 s ARG 74 CO 0.11 -0.35 1.05 -1.54 -0.68 0.00 0.00 175.30 173.90 1sg4 s SER 75 N -4.22 5.63 0.39 0.23 1.04 -1.26 -4.88 113.70 110.63 1sg4 s SER 75 Ca 0.47 1.67 0.05 0.00 0.48 0.00 0.00 55.95 58.62 1sg4 s SER 75 Cb -0.03 -2.51 0.77 0.00 0.10 0.00 0.00 66.02 64.35 1sg4 s SER 75 CO 0.28 -1.28 2.04 -0.65 0.98 0.00 0.00 173.24 174.61 1sg4 h PRO 76 N -0.22 0.66 -0.16 4.02 0.11 -1.99 -1.72 132.00 132.69 1sg4 h PRO 76 Ca -0.45 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1sg4 h PRO 76 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1sg4 h PRO 76 CO 0.57 0.44 -0.44 0.00 -0.21 0.00 0.00 178.00 178.36 1sg4 h ALA 77 N 1.69 0.94 -0.59 -0.75 0.00 -1.99 -1.77 119.26 116.79 1sg4 h ALA 77 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sg4 h ALA 77 Cb -0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1sg4 h ALA 77 CO -0.04 0.64 0.37 1.25 0.00 0.00 0.00 179.25 181.47 1sg4 h HIS 78 N 0.32 0.76 -0.77 0.00 6.17 -1.70 -0.11 115.15 119.82 1sg4 h HIS 78 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1sg4 h HIS 78 Cb 0.90 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 30.54 1sg4 h HIS 78 CO 0.03 0.50 0.48 1.88 0.71 0.00 0.00 177.93 181.53 1sg4 h TYR 79 N 0.80 0.99 -0.32 5.26 0.05 -1.18 -0.65 116.97 121.93 1sg4 h TYR 79 Ca 0.21 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.97 1sg4 h TYR 79 Cb -0.05 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.35 1sg4 h TYR 79 CO -0.03 0.65 0.08 0.00 -1.05 0.00 0.00 178.16 177.82 1sg4 h ALA 80 N 1.26 0.42 -0.57 3.88 0.00 -0.90 -0.39 119.26 122.97 1sg4 h ALA 80 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sg4 h ALA 80 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sg4 h ALA 80 CO -0.06 0.08 0.15 0.78 0.00 0.00 0.00 179.25 180.20 1sg4 h GLY 81 N 0.36 0.96 0.75 0.00 0.00 -0.85 -1.33 103.07 102.96 1sg4 h GLY 81 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1sg4 h GLY 81 CO 0.00 0.55 -0.07 -1.82 0.00 0.00 0.00 176.54 175.21 1sg4 h TYR 82 N 0.80 -0.17 -0.46 5.60 3.20 -0.98 -2.52 116.97 122.43 1sg4 h TYR 82 Ca 0.18 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1sg4 h TYR 82 Cb 0.33 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1sg4 h TYR 82 CO 0.02 -0.11 -0.03 2.35 -1.64 0.00 0.00 178.16 178.75 1sg4 h TRP 83 N -0.10 0.84 -0.98 -3.82 2.91 -0.85 -0.93 115.95 113.03 1sg4 h TRP 83 Ca 0.05 -0.13 0.07 0.00 1.13 0.00 0.00 58.89 60.00 1sg4 h TRP 83 Cb 0.16 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 28.52 1sg4 h TRP 83 CO -0.16 0.80 0.63 -0.22 -1.03 0.00 0.00 178.44 178.46 1sg4 h LYS 84 N 0.73 1.10 -0.32 2.65 1.63 -1.06 -0.03 116.57 121.27 1sg4 h LYS 84 Ca 0.14 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.72 1sg4 h LYS 84 Cb 0.49 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1sg4 h LYS 84 CO 0.02 0.73 -0.39 0.00 -3.45 0.00 0.00 179.45 176.36 1sg4 h ALA 85 N 1.47 0.70 -0.18 5.00 0.00 -0.90 -0.89 119.26 124.48 1sg4 h ALA 85 Ca 0.42 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sg4 h ALA 85 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sg4 h ALA 85 CO -0.17 0.66 0.09 0.28 0.00 0.00 0.00 179.25 180.11 1sg4 h VAL 86 N 0.63 1.13 -0.66 0.00 2.07 -0.60 -1.23 116.25 117.59 1sg4 h VAL 86 Ca 0.05 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1sg4 h VAL 86 Cb 0.94 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1sg4 h VAL 86 CO 0.09 0.12 0.35 1.56 0.02 0.00 0.00 177.57 179.71 1sg4 h GLN 87 N 0.16 0.62 -0.72 1.57 4.20 -0.97 -1.89 115.11 118.08 1sg4 h GLN 87 Ca 0.06 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1sg4 h GLN 87 Cb 0.12 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1sg4 h GLN 87 CO -0.01 0.41 0.47 1.49 -0.67 0.00 0.00 178.83 180.53 1sg4 h GLU 88 N 0.64 0.94 -0.39 1.46 4.57 -0.79 0.53 114.58 121.53 1sg4 h GLU 88 Ca 0.30 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1sg4 h GLU 88 Cb 0.23 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1sg4 h GLU 88 CO -0.20 0.62 0.12 1.25 -1.18 0.00 0.00 179.01 179.61 1sg4 h LEU 89 N 0.97 0.58 -0.04 1.64 5.85 -0.69 -0.17 115.31 123.45 1sg4 h LEU 89 Ca 0.26 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sg4 h LEU 89 Cb -0.10 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 1sg4 h LEU 89 CO -0.06 0.64 0.02 -0.25 -0.34 0.00 0.00 178.44 178.45 1sg4 h TRP 90 N 0.49 0.05 -0.57 1.25 7.01 -1.00 -0.54 115.95 122.65 1sg4 h TRP 90 Ca 0.13 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1sg4 h TRP 90 Cb 0.27 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 1sg4 h TRP 90 CO 0.01 0.07 0.33 -0.07 -2.79 0.00 0.00 178.44 175.99 1sg4 h LEU 91 N 0.02 0.52 -0.37 0.65 3.38 -0.72 0.15 115.31 118.95 1sg4 h LEU 91 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1sg4 h LEU 91 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sg4 h LEU 91 CO -0.00 0.36 -0.38 0.03 0.09 0.00 0.00 178.44 178.54 1sg4 h ARG 92 N 0.65 0.92 -0.05 1.13 2.47 -0.86 -2.12 114.38 116.52 1sg4 h ARG 92 Ca 0.24 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1sg4 h ARG 92 Cb 0.06 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1sg4 h ARG 92 CO -0.12 1.14 -0.02 -0.07 0.56 0.00 0.00 179.97 181.46 1sg4 h LEU 93 N 0.73 0.11 -1.32 3.04 3.38 -0.96 -2.01 115.31 118.28 1sg4 h LEU 93 Ca 0.06 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1sg4 h LEU 93 Cb 0.98 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1sg4 h LEU 93 CO 0.09 0.48 -0.04 0.22 0.09 0.00 0.00 178.44 179.28 1sg4 h TYR 94 N -0.27 0.42 -0.56 1.13 3.20 -0.68 -2.22 116.97 118.01 1sg4 h TYR 94 Ca 0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1sg4 h TYR 94 Cb 0.44 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1sg4 h TYR 94 CO 0.06 0.46 0.00 1.04 -1.64 0.00 0.00 178.16 178.08 1sg4 n GLN 95 N -4.29 3.45 -1.80 1.82 6.02 -0.80 -5.00 117.38 116.77 1sg4 n GLN 95 Ca 0.01 -2.74 -0.41 0.00 -0.01 0.00 0.00 57.00 53.84 1sg4 n GLN 95 Cb 0.24 -1.77 -0.00 0.00 1.02 0.00 0.00 30.24 29.73 1sg4 n GLN 95 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1sg4 s SER 96 N -1.07 6.36 0.28 1.08 0.15 -0.76 -4.88 113.70 114.86 1sg4 s SER 96 Ca 0.45 3.02 0.26 0.00 0.70 0.00 0.00 55.95 60.38 1sg4 s SER 96 Cb 0.29 -2.66 0.89 0.00 -1.71 0.00 0.00 66.02 62.83 1sg4 s SER 96 CO 0.22 -0.88 1.76 0.78 1.20 0.00 0.00 173.24 176.32 1sg4 h ASN 97 N 3.41 0.00 -4.22 5.45 2.35 -1.91 -3.45 115.58 117.21 1sg4 h ASN 97 Ca -0.50 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.74 1sg4 h ASN 97 Cb 1.23 0.00 0.11 0.00 0.05 0.00 0.00 38.32 39.72 1sg4 h ASN 97 CO 0.67 0.00 0.36 -0.76 -1.65 0.00 0.00 177.43 176.06 1sg4 s LEU 98 N -4.79 3.31 -0.04 1.61 1.43 -1.26 -4.83 118.68 114.12 1sg4 s LEU 98 Ca 0.07 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1sg4 s LEU 98 Cb 0.10 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 1sg4 s LEU 98 CO 0.52 -1.79 1.34 -0.69 0.23 0.00 0.00 176.35 175.96 1sg4 s VAL 99 N -2.40 3.92 -0.14 -1.59 1.01 -0.62 -4.96 120.40 115.62 1sg4 s VAL 99 Ca 0.67 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1sg4 s VAL 99 Cb -0.21 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1sg4 s VAL 99 CO 0.45 -0.02 -0.16 -0.76 0.00 0.00 0.00 175.10 174.61 1sg4 s LEU 100 N 2.54 2.50 -0.09 3.92 1.43 -1.26 -0.49 118.68 127.22 1sg4 s LEU 100 Ca 0.61 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1sg4 s LEU 100 Cb -0.29 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1sg4 s LEU 100 CO 0.24 0.12 -0.17 -0.69 0.23 0.00 0.00 176.35 176.08 1sg4 s VAL 101 N 0.58 1.60 -0.20 -1.59 1.01 -0.42 -0.39 120.40 121.00 1sg4 s VAL 101 Ca -0.09 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1sg4 s VAL 101 Cb -0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1sg4 s VAL 101 CO 0.03 0.46 0.40 -0.44 0.00 0.00 0.00 175.10 175.56 1sg4 s SER 102 N 0.67 6.44 -0.77 3.32 0.01 -0.44 -0.24 113.70 122.68 1sg4 s SER 102 Ca -0.13 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 1sg4 s SER 102 Cb -0.16 -2.24 0.18 0.00 0.21 0.00 0.00 66.02 64.01 1sg4 s SER 102 CO 0.03 -0.08 0.79 0.00 0.41 0.00 0.00 173.24 174.39 1sg4 s ALA 103 N 1.32 3.81 -0.75 1.44 0.00 -0.07 -1.29 121.76 126.21 1sg4 s ALA 103 Ca 0.19 -2.97 -0.22 0.00 0.00 0.00 0.00 51.96 48.96 1sg4 s ALA 103 Cb -0.15 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.47 1sg4 s ALA 103 CO 0.08 -2.38 1.08 0.42 0.00 0.00 0.00 175.76 174.96 1sg4 s ILE 104 N 1.15 4.28 -0.43 0.00 1.01 0.12 -4.40 121.20 122.93 1sg4 s ILE 104 Ca 0.18 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1sg4 s ILE 104 Cb -0.14 -4.77 0.51 0.00 0.01 0.00 0.00 42.46 38.08 1sg4 s ILE 104 CO -0.05 -1.57 1.67 -0.46 0.00 0.00 0.00 174.94 174.53 1sg4 n ASN 105 N 7.82 4.71 -3.96 3.58 6.94 -1.26 -1.46 115.26 131.62 1sg4 n ASN 105 Ca 0.06 -3.75 0.04 0.00 -0.02 0.00 0.00 54.58 50.91 1sg4 n ASN 105 Cb 0.47 -0.72 0.01 0.00 -2.36 0.00 0.00 39.78 37.18 1sg4 n ASN 105 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1sg4 s GLY 106 N -2.29 -0.18 0.51 4.83 0.00 -1.26 -1.03 107.32 107.90 1sg4 s GLY 106 Ca 0.54 0.11 -0.22 0.00 0.00 0.00 0.00 44.72 45.15 1sg4 s GLY 106 CO 0.02 6.58 1.19 0.00 0.00 0.00 0.00 173.10 180.90 1sg4 n ALA 107 N -0.96 0.96 -3.17 3.20 0.00 -0.18 -3.94 120.51 116.42 1sg4 n ALA 107 Ca 0.06 0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 1sg4 n ALA 107 Cb 0.58 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 1sg4 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sg4 n PRO 109 N 1.35 -1.22 -0.02 0.00 -0.04 -1.25 -1.91 135.00 131.91 1sg4 n PRO 109 Ca 0.21 -0.89 -0.01 0.00 -0.04 0.00 0.00 63.50 62.77 1sg4 n PRO 109 Cb 0.54 -0.69 -0.01 0.00 -0.04 0.00 0.00 33.50 33.31 1sg4 n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sg4 n ALA 110 N -3.60 -0.03 0.16 0.55 0.00 -0.80 -0.73 120.51 116.06 1sg4 n ALA 110 Ca -0.10 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1sg4 n ALA 110 Cb 0.27 0.33 0.39 0.00 0.00 0.00 0.00 19.45 20.44 1sg4 n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sg4 h GLY 111 N 0.00 0.11 1.08 0.00 0.00 -1.88 0.28 103.07 102.66 1sg4 h GLY 111 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1sg4 h GLY 111 CO -0.05 0.07 0.39 -1.33 0.00 0.00 0.00 176.54 175.62 1sg4 h GLY 112 N 0.87 1.26 1.80 4.60 0.00 -1.05 -2.52 103.07 108.04 1sg4 h GLY 112 Ca 0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1sg4 h GLY 112 CO 0.04 0.60 -0.42 0.00 0.00 0.00 0.00 176.54 176.75 1sg4 h LEU 114 N 0.18 -0.65 0.04 0.00 6.46 -0.59 0.28 115.31 121.03 1sg4 h LEU 114 Ca 0.02 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1sg4 h LEU 114 Cb 0.83 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1sg4 h LEU 114 CO 0.06 -0.22 -0.02 0.58 -0.62 0.00 0.00 178.44 178.23 1sg4 h VAL 115 N -0.07 1.11 -0.69 1.05 2.07 -1.01 -2.89 116.25 115.83 1sg4 h VAL 115 Ca 0.24 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1sg4 h VAL 115 Cb 0.43 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1sg4 h VAL 115 CO -0.55 0.12 0.43 0.00 0.02 0.00 0.00 177.57 177.60 1sg4 h ALA 116 N 0.69 0.88 0.00 1.67 0.00 -0.77 -2.54 119.26 119.18 1sg4 h ALA 116 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sg4 h ALA 116 Cb 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sg4 h ALA 116 CO 0.01 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.48 1sg4 h LEU 117 N 0.94 0.00 0.00 0.00 3.38 -0.45 -2.16 115.31 117.02 1sg4 h LEU 117 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1sg4 h LEU 117 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sg4 h LEU 117 CO -0.05 0.05 -0.25 0.35 0.09 0.00 0.00 178.44 178.63 1sg4 n THR 118 N -3.19 0.10 -1.44 0.22 -2.24 -0.96 -4.87 114.28 101.90 1sg4 n THR 118 Ca -0.00 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1sg4 n THR 118 Cb 0.28 -0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.44 1sg4 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg4 h ASP 120 N -1.41 0.00 -4.05 0.00 3.32 -1.02 -3.47 116.42 109.79 1sg4 h ASP 120 Ca -0.50 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 1sg4 h ASP 120 Cb 1.30 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 1sg4 h ASP 120 CO 0.59 0.02 0.12 -0.47 -1.72 0.00 0.00 179.24 177.77 1sg4 s TYR 121 N -3.25 -0.77 -0.11 4.55 5.04 -1.19 -5.03 117.35 116.60 1sg4 s TYR 121 Ca 0.05 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.54 1sg4 s TYR 121 Cb 0.06 0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.66 1sg4 s TYR 121 CO 0.71 -0.38 -0.12 1.03 -1.34 0.00 0.00 175.55 175.45 1sg4 s ARG 122 N 0.29 1.90 -0.13 4.97 0.52 -1.26 -1.33 118.95 123.90 1sg4 s ARG 122 Ca -0.01 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 1sg4 s ARG 122 Cb -0.05 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.68 1sg4 s ARG 122 CO 0.01 -0.16 -0.17 0.42 0.02 0.00 0.00 175.30 175.42 1sg4 s ILE 123 N 1.31 2.56 -0.14 1.52 1.01 -0.41 -0.75 121.20 126.29 1sg4 s ILE 123 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1sg4 s ILE 123 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1sg4 s ILE 123 CO -0.05 0.53 -0.13 -0.22 0.00 0.00 0.00 174.94 175.07 1sg4 s LEU 124 N 0.58 2.70 0.28 2.97 2.96 -0.16 0.16 118.68 128.17 1sg4 s LEU 124 Ca -0.10 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 1sg4 s LEU 124 Cb -0.16 -1.61 -0.10 0.00 0.50 0.00 0.00 46.19 44.82 1sg4 s LEU 124 CO 0.03 0.15 1.35 0.00 -1.32 0.00 0.00 176.35 176.57 1sg4 s ALA 125 N 0.45 3.55 -1.35 5.97 0.00 -0.54 -1.85 121.76 127.99 1sg4 s ALA 125 Ca -0.10 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1sg4 s ALA 125 Cb -0.16 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.55 1sg4 s ALA 125 CO 0.05 -0.66 1.94 -3.47 0.00 0.00 0.00 175.76 173.61 1sg4 n ASP 126 N 1.60 4.57 -4.10 0.00 2.03 0.94 -4.83 116.55 116.76 1sg4 n ASP 126 Ca 0.03 -2.94 -0.29 0.00 0.52 0.00 0.00 54.79 52.11 1sg4 n ASP 126 Cb 0.41 -1.63 -0.17 0.00 -0.72 0.00 0.00 41.12 39.02 1sg4 n ASP 126 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1sg4 s ASN 127 N 2.85 2.61 0.44 1.67 3.84 -1.26 -4.56 114.94 120.53 1sg4 s ASN 127 Ca 0.46 -0.47 0.30 0.00 0.21 0.00 0.00 52.86 53.36 1sg4 s ASN 127 Cb 0.09 -1.18 1.57 0.00 -0.55 0.00 0.00 41.25 41.18 1sg4 s ASN 127 CO -0.02 0.05 1.90 1.55 -2.79 0.00 0.00 177.10 177.80 1sg4 h PRO 128 N 7.27 0.00 -0.01 0.43 0.13 -2.02 0.24 132.00 138.04 1sg4 h PRO 128 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1sg4 h PRO 128 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1sg4 h PRO 128 CO 0.50 0.00 -0.18 0.54 -0.23 0.00 0.00 178.00 178.63 1sg4 n ARG 129 N -2.55 0.77 -2.72 0.86 1.74 -1.26 -4.55 116.66 108.95 1sg4 n ARG 129 Ca -0.02 -0.37 -0.43 0.00 -0.77 0.00 0.00 57.85 56.26 1sg4 n ARG 129 Cb 0.07 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1sg4 n ARG 129 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1sg4 n TYR 130 N -0.79 3.96 -3.52 -1.55 4.02 0.07 -4.37 117.16 114.98 1sg4 n TYR 130 Ca 0.13 -3.10 -0.35 0.00 -0.01 0.00 0.00 57.90 54.56 1sg4 n TYR 130 Cb 0.31 -1.99 -0.06 0.00 -0.02 0.00 0.00 39.34 37.59 1sg4 n TYR 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sg4 s ILE 132 N -1.36 1.12 0.00 0.00 2.07 0.07 -0.73 121.20 122.37 1sg4 s ILE 132 Ca 0.32 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1sg4 s ILE 132 Cb -0.15 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.45 1sg4 s ILE 132 CO 0.17 0.34 0.00 0.61 -1.91 0.00 0.00 174.94 174.16 1sg4 n GLY 133 N 3.44 -0.63 3.25 1.50 0.00 -0.80 -0.41 105.19 111.55 1sg4 n GLY 133 Ca -0.20 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1sg4 n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg4 s LEU 134 N 0.00 6.24 -0.26 0.99 1.43 -1.23 -1.91 118.68 123.93 1sg4 s LEU 134 Ca 0.00 -2.69 0.10 0.00 -1.03 0.00 0.00 54.13 50.51 1sg4 s LEU 134 Cb 0.00 -2.09 0.71 0.00 0.03 0.00 0.00 46.19 44.83 1sg4 s LEU 134 CO 0.00 -0.52 1.68 -0.46 0.23 0.00 0.00 176.35 177.28 1sg4 n ASN 135 N 3.89 4.88 -0.27 2.29 6.94 -1.26 -4.22 115.26 127.51 1sg4 n ASN 135 Ca 0.10 -3.00 0.09 0.00 -0.02 0.00 0.00 54.58 51.75 1sg4 n ASN 135 Cb 0.44 -0.71 0.23 0.00 -2.36 0.00 0.00 39.78 37.38 1sg4 n ASN 135 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1sg4 h GLU 136 N 2.92 0.22 0.00 -3.83 3.07 -1.86 -0.25 114.58 114.85 1sg4 h GLU 136 Ca 0.15 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1sg4 h GLU 136 Cb 2.07 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.92 1sg4 h GLU 136 CO 0.59 0.15 -0.10 1.79 -1.40 0.00 0.00 179.01 180.04 1sg4 h THR 137 N 0.23 0.65 0.00 1.13 1.35 -1.72 0.18 112.91 114.74 1sg4 h THR 137 Ca 0.48 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1sg4 h THR 137 Cb 0.88 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1sg4 h THR 137 CO -0.59 0.09 0.00 1.56 -0.25 0.00 0.00 175.52 176.33 1sg4 h GLN 138 N 0.00 0.00 -0.02 4.72 1.08 -1.32 -1.56 115.11 118.01 1sg4 h GLN 138 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sg4 h GLN 138 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1sg4 h GLN 138 CO 0.01 0.00 -0.02 1.28 -0.95 0.00 0.00 178.83 179.16 1sg4 n LEU 139 N -2.92 1.97 -0.07 1.46 4.32 -0.00 -4.94 117.00 116.82 1sg4 n LEU 139 Ca 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 56.01 55.33 1sg4 n LEU 139 Cb 0.25 -0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1sg4 n LEU 139 CO 0.24 0.33 -0.01 0.61 -1.22 0.00 0.00 177.39 177.35 1sg4 n GLY 140 N 1.24 0.47 1.58 -0.72 0.00 -0.59 -4.35 105.19 102.83 1sg4 n GLY 140 Ca 0.17 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1sg4 n GLY 140 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sg4 n ILE 141 N -2.96 0.00 -4.13 -0.61 -5.35 -0.88 -4.93 119.36 100.51 1sg4 n ILE 141 Ca -0.01 -1.07 -0.12 0.00 -0.27 0.00 0.00 62.75 61.29 1sg4 n ILE 141 Cb 0.04 0.27 -0.11 0.00 -1.74 0.00 0.00 39.64 38.10 1sg4 n ILE 141 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1sg4 s ILE 142 N -1.95 0.63 0.36 7.28 -4.36 -1.26 -2.50 121.20 119.41 1sg4 s ILE 142 Ca 0.03 -1.59 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 1sg4 s ILE 142 Cb 0.00 -1.25 -0.09 0.00 1.25 0.00 0.00 42.46 42.37 1sg4 s ILE 142 CO 0.02 -0.67 1.23 0.00 0.24 0.00 0.00 174.94 175.76 1sg4 s ALA 143 N -2.72 3.32 0.76 2.27 0.00 -1.26 -4.97 121.76 119.17 1sg4 s ALA 143 Ca 0.03 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 1sg4 s ALA 143 Cb -0.01 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1sg4 s ALA 143 CO -0.03 -0.58 1.16 -1.25 0.00 0.00 0.00 175.76 175.07 1sg4 s PRO 144 N -2.01 2.01 0.37 0.00 0.04 -1.26 -4.74 135.00 129.42 1sg4 s PRO 144 Ca 0.53 1.58 0.10 0.00 0.04 0.00 0.00 61.00 63.24 1sg4 s PRO 144 Cb -0.35 -1.84 0.85 0.00 0.04 0.00 0.00 34.50 33.20 1sg4 s PRO 144 CO 0.46 -1.89 1.90 0.27 0.04 0.00 0.00 177.00 177.78 1sg4 h PHE 145 N -0.70 0.73 0.00 0.56 -5.15 -1.99 -0.14 116.94 110.25 1sg4 h PHE 145 Ca -0.46 0.02 -0.13 0.00 -0.20 0.00 0.00 57.97 57.20 1sg4 h PHE 145 Cb 1.27 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 37.19 1sg4 h PHE 145 CO 0.50 0.31 -0.62 0.11 -2.00 0.00 0.00 178.31 176.61 1sg4 h TRP 146 N 0.65 0.00 0.13 6.09 5.08 -1.95 0.12 115.95 126.07 1sg4 h TRP 146 Ca 0.39 0.00 -0.30 0.00 1.08 0.00 0.00 58.89 60.07 1sg4 h TRP 146 Cb 0.62 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.81 1sg4 h TRP 146 CO -0.00 0.62 -1.26 1.25 -1.28 0.00 0.00 178.44 177.78 1sg4 h LEU 147 N 0.00 0.80 -0.54 0.11 5.85 -1.51 -1.60 115.31 118.42 1sg4 h LEU 147 Ca -0.01 -0.76 0.08 0.00 0.84 0.00 0.00 57.88 58.03 1sg4 h LEU 147 Cb 1.18 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1sg4 h LEU 147 CO 0.08 1.57 0.19 0.50 -0.34 0.00 0.00 178.44 180.45 1sg4 h LYS 148 N 0.24 0.36 -0.57 1.25 3.11 -0.88 -0.36 116.57 119.72 1sg4 h LYS 148 Ca -0.18 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.58 1sg4 h LYS 148 Cb 1.93 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 33.05 1sg4 h LYS 148 CO 0.23 0.24 0.14 -0.44 -2.81 0.00 0.00 179.45 176.82 1sg4 h ASP 149 N 0.37 0.82 -0.64 4.20 3.32 -0.68 0.46 116.42 124.28 1sg4 h ASP 149 Ca 0.26 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1sg4 h ASP 149 Cb 0.29 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1sg4 h ASP 149 CO -0.27 0.80 0.24 0.74 -1.72 0.00 0.00 179.24 179.03 1sg4 h THR 150 N 0.85 1.24 -0.45 0.35 2.02 -0.75 -0.11 112.91 116.05 1sg4 h THR 150 Ca 0.19 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1sg4 h THR 150 Cb 0.30 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1sg4 h THR 150 CO -0.00 0.30 0.06 0.25 0.37 0.00 0.00 175.52 176.50 1sg4 h LEU 151 N 0.91 0.73 -1.35 2.58 5.85 -0.49 -2.34 115.31 121.19 1sg4 h LEU 151 Ca 0.21 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1sg4 h LEU 151 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1sg4 h LEU 151 CO -0.01 0.82 0.11 -0.08 -0.34 0.00 0.00 178.44 178.93 1sg4 h GLU 152 N 0.62 0.55 0.00 1.25 4.81 -0.60 0.13 114.58 121.34 1sg4 h GLU 152 Ca 0.14 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1sg4 h GLU 152 Cb 0.41 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sg4 h GLU 152 CO 0.01 0.49 0.00 0.09 -0.73 0.00 0.00 179.01 178.88 1sg4 n ASN 153 N -4.35 0.38 -0.13 1.04 3.02 -0.08 -0.68 115.26 114.46 1sg4 n ASN 153 Ca 0.02 0.59 -0.20 0.00 -0.03 0.00 0.00 54.58 54.97 1sg4 n ASN 153 Cb 0.17 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 1sg4 n ASN 153 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sg4 n THR 154 N -1.92 1.45 -0.24 3.41 -1.04 -0.13 -4.79 114.28 111.01 1sg4 n THR 154 Ca 0.03 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1sg4 n THR 154 Cb 0.21 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1sg4 n THR 154 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1sg4 n ILE 155 N -3.41 0.11 0.00 12.58 -5.35 -0.23 -4.76 119.36 118.29 1sg4 n ILE 155 Ca -0.46 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 1sg4 n ILE 155 Cb 0.96 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 40.01 1sg4 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sg4 n GLY 156 N -0.05 -1.04 0.16 3.28 0.00 0.14 -4.36 105.19 103.33 1sg4 n GLY 156 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1sg4 n GLY 156 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1sg4 h HIS 157 N 0.00 -0.30 -0.15 1.61 -0.00 -1.94 -1.96 115.15 112.41 1sg4 h HIS 157 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1sg4 h HIS 157 Cb 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1sg4 h HIS 157 CO 0.00 -0.14 0.09 -0.09 -0.00 0.00 0.00 177.93 177.80 1sg4 h ARG 158 N -0.39 0.21 -0.35 5.26 1.12 -1.97 -0.64 114.38 117.61 1sg4 h ARG 158 Ca -0.03 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.72 1sg4 h ARG 158 Cb 0.29 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1sg4 h ARG 158 CO 0.05 0.17 -0.21 0.00 -3.11 0.00 0.00 179.97 176.88 1sg4 h ALA 159 N 1.02 0.98 -0.95 2.80 0.00 -1.75 -2.30 119.26 119.05 1sg4 h ALA 159 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sg4 h ALA 159 Cb 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1sg4 h ALA 159 CO -0.01 0.60 0.58 0.00 0.00 0.00 0.00 179.25 180.42 1sg4 h ALA 160 N 1.18 1.21 -0.17 0.00 0.00 -1.04 0.64 119.26 121.08 1sg4 h ALA 160 Ca 0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1sg4 h ALA 160 Cb 0.68 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1sg4 h ALA 160 CO 0.05 0.66 -0.20 0.93 0.00 0.00 0.00 179.25 180.69 1sg4 h GLU 161 N 1.31 -0.22 -0.15 0.00 5.08 -0.58 0.08 114.58 120.10 1sg4 h GLU 161 Ca 0.34 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1sg4 h GLU 161 Cb -0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1sg4 h GLU 161 CO -0.07 -0.15 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.60 1sg4 h ARG 162 N -0.23 0.33 -0.56 2.33 2.43 -1.22 -1.81 114.38 115.66 1sg4 h ARG 162 Ca 0.11 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1sg4 h ARG 162 Cb 0.40 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1sg4 h ARG 162 CO -0.30 0.69 0.36 0.00 -1.51 0.00 0.00 179.97 179.21 1sg4 h ALA 163 N 0.64 0.71 -0.07 2.80 0.00 -0.72 -1.24 119.26 121.37 1sg4 h ALA 163 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1sg4 h ALA 163 Cb 0.61 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sg4 h ALA 163 CO 0.03 0.15 -0.40 -0.07 0.00 0.00 0.00 179.25 178.96 1sg4 h LEU 164 N 0.75 0.47 -0.25 0.00 3.38 -1.02 -0.21 115.31 118.44 1sg4 h LEU 164 Ca 0.20 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1sg4 h LEU 164 Cb -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1sg4 h LEU 164 CO -0.04 1.06 0.06 1.56 0.09 0.00 0.00 178.44 181.17 1sg4 h GLN 165 N -0.08 0.39 0.00 1.13 4.20 -1.22 -2.58 115.11 116.96 1sg4 h GLN 165 Ca -0.03 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1sg4 h GLN 165 Cb 1.06 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1sg4 h GLN 165 CO 0.08 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 1sg4 n LEU 166 N -4.73 0.00 -3.79 1.46 4.77 -0.48 -4.84 117.00 109.40 1sg4 n LEU 166 Ca -0.03 0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 56.11 1sg4 n LEU 166 Cb 0.17 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1sg4 n LEU 166 CO 0.36 -0.06 0.09 0.61 -1.33 0.00 0.00 177.39 177.06 1sg4 n GLY 167 N 0.99 -0.44 3.75 -0.72 0.00 -0.19 -4.80 105.19 103.77 1sg4 n GLY 167 Ca 0.08 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1sg4 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg4 s LEU 168 N -7.09 4.42 -0.43 0.99 1.43 -0.58 -4.24 118.68 113.18 1sg4 s LEU 168 Ca 0.45 2.50 -0.10 0.00 -1.03 0.00 0.00 54.13 55.96 1sg4 s LEU 168 Cb -0.22 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.46 1sg4 s LEU 168 CO 0.80 -0.53 0.28 -0.76 0.23 0.00 0.00 176.35 176.38 1sg4 s LEU 169 N -0.65 5.27 -0.14 1.79 1.43 -1.26 -3.55 118.68 121.56 1sg4 s LEU 169 Ca 0.54 -1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 51.79 1sg4 s LEU 169 Cb -0.38 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1sg4 s LEU 169 CO 0.43 -0.57 1.19 -0.36 0.23 0.00 0.00 176.35 177.27 1sg4 s PHE 170 N 1.43 3.06 0.98 0.29 0.08 0.45 -4.59 117.98 119.68 1sg4 s PHE 170 Ca 0.03 1.17 -0.12 0.00 0.12 0.00 0.00 56.93 58.14 1sg4 s PHE 170 Cb -0.24 -3.42 0.18 0.00 -0.57 0.00 0.00 43.02 38.97 1sg4 s PHE 170 CO 0.02 -1.31 1.08 -2.14 -0.10 0.00 0.00 175.22 172.77 1sg4 s PRO 171 N 2.99 0.58 0.17 0.24 0.02 -1.26 -0.75 135.00 136.99 1sg4 s PRO 171 Ca 0.53 0.88 -0.16 0.00 0.02 0.00 0.00 61.00 62.27 1sg4 s PRO 171 Cb -0.21 -1.73 0.13 0.00 0.02 0.00 0.00 34.50 32.71 1sg4 s PRO 171 CO 0.16 -2.73 1.68 -1.35 -0.33 0.00 0.00 177.00 174.43 1sg4 h PRO 172 N -1.90 0.06 -0.66 5.54 0.11 -1.82 0.23 132.00 133.55 1sg4 h PRO 172 Ca -0.52 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sg4 h PRO 172 Cb 1.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1sg4 h PRO 172 CO 0.52 0.04 0.41 0.00 -0.21 0.00 0.00 178.00 178.76 1sg4 h ALA 173 N 1.41 0.85 -0.23 -0.75 0.00 -1.97 -1.12 119.26 117.44 1sg4 h ALA 173 Ca 0.21 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1sg4 h ALA 173 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sg4 h ALA 173 CO -0.40 0.31 -0.32 0.93 0.00 0.00 0.00 179.25 179.77 1sg4 h GLU 174 N 0.90 0.48 -0.45 0.00 3.07 -1.74 -1.69 114.58 115.15 1sg4 h GLU 174 Ca 0.24 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1sg4 h GLU 174 Cb -0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1sg4 h GLU 174 CO -0.05 0.75 0.26 0.00 -1.40 0.00 0.00 179.01 178.58 1sg4 h ALA 175 N 1.24 0.57 -0.48 3.43 0.00 -0.10 -1.04 119.26 122.89 1sg4 h ALA 175 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1sg4 h ALA 175 Cb 0.77 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1sg4 h ALA 175 CO 0.06 0.08 0.05 1.25 0.00 0.00 0.00 179.25 180.68 1sg4 h LEU 176 N 0.59 0.79 -1.04 0.00 5.85 -1.07 -1.70 115.31 118.73 1sg4 h LEU 176 Ca 0.16 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1sg4 h LEU 176 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1sg4 h LEU 176 CO -0.03 0.87 0.36 -0.61 -0.34 0.00 0.00 178.44 178.69 1sg4 h GLN 177 N 0.67 1.04 0.00 1.25 4.15 -1.01 -2.43 115.11 118.78 1sg4 h GLN 177 Ca 0.14 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sg4 h GLN 177 Cb 0.44 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1sg4 h GLN 177 CO 0.02 0.79 -0.12 -0.24 -1.93 0.00 0.00 178.83 177.35 1sg4 h VAL 178 N 1.04 0.04 0.00 2.39 3.04 -1.16 -3.47 116.25 118.12 1sg4 h VAL 178 Ca 0.26 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1sg4 h VAL 178 Cb 0.09 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1sg4 h VAL 178 CO -0.03 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.16 1sg4 n GLY 179 N 1.11 0.93 0.21 3.17 0.00 -0.70 -4.75 105.19 105.16 1sg4 n GLY 179 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1sg4 n GLY 179 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sg4 h ILE 180 N 0.00 0.33 -2.59 -0.61 2.10 -1.66 -3.43 117.51 111.65 1sg4 h ILE 180 Ca 0.00 -1.25 -0.51 0.00 1.08 0.00 0.00 64.86 64.18 1sg4 h ILE 180 Cb 0.00 1.97 -0.14 0.00 -1.09 0.00 0.00 36.82 37.56 1sg4 h ILE 180 CO 0.00 0.17 -0.72 0.68 -1.08 0.00 0.00 178.15 177.20 1sg4 s VAL 181 N -3.32 1.90 -0.14 2.19 -7.23 -1.21 -4.94 120.40 107.65 1sg4 s VAL 181 Ca 0.04 -2.23 0.17 0.00 -1.81 0.00 0.00 61.98 58.16 1sg4 s VAL 181 Cb 0.07 -2.27 -0.24 0.00 0.56 0.00 0.00 36.38 34.51 1sg4 s VAL 181 CO 0.66 -0.43 0.35 0.47 -0.31 0.00 0.00 175.10 175.84 1sg4 n ASP 182 N -0.52 0.29 -3.86 4.85 8.00 0.07 -4.57 116.55 120.80 1sg4 n ASP 182 Ca -0.06 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 1sg4 n ASP 182 Cb 0.61 0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 42.44 1sg4 n ASP 182 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sg4 s GLN 183 N -2.73 0.46 -0.14 -1.24 -0.21 -1.06 -5.04 119.66 109.70 1sg4 s GLN 183 Ca -0.08 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.00 1sg4 s GLN 183 Cb 0.08 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.29 1sg4 s GLN 183 CO 0.84 -0.11 -0.19 0.08 -2.12 0.00 0.00 175.29 173.79 1sg4 s VAL 184 N -1.21 1.89 0.10 1.09 1.01 -1.26 -0.99 120.40 121.02 1sg4 s VAL 184 Ca -0.13 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1sg4 s VAL 184 Cb -0.07 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1sg4 s VAL 184 CO 0.02 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.22 1sg4 s VAL 185 N 0.97 0.88 0.50 2.92 -7.23 -0.77 -4.94 120.40 112.73 1sg4 s VAL 185 Ca -0.04 -1.73 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 1sg4 s VAL 185 Cb -0.15 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.25 1sg4 s VAL 185 CO -0.04 -0.65 0.90 -2.65 -0.31 0.00 0.00 175.10 172.35 1sg4 n PRO 186 N 0.37 1.05 -0.33 4.82 -0.02 -1.26 -0.04 135.00 139.58 1sg4 n PRO 186 Ca -0.15 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.83 1sg4 n PRO 186 Cb 0.59 -2.01 0.29 0.00 -0.02 0.00 0.00 33.50 32.35 1sg4 n PRO 186 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sg4 h GLU 187 N 0.98 0.68 0.00 -0.52 5.08 -1.90 0.19 114.58 119.08 1sg4 h GLU 187 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1sg4 h GLU 187 Cb 1.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sg4 h GLU 187 CO 0.53 0.45 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 1sg4 n GLU 188 N -4.82 0.96 -0.11 2.33 4.71 -1.26 -2.46 120.64 119.99 1sg4 n GLU 188 Ca 0.22 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.45 1sg4 n GLU 188 Cb 0.54 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.61 1sg4 n GLU 188 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1sg4 n GLN 189 N -1.02 1.95 -0.10 3.49 6.02 0.04 -4.70 117.38 123.07 1sg4 n GLN 189 Ca 0.23 -1.85 -0.11 0.00 -0.01 0.00 0.00 57.00 55.26 1sg4 n GLN 189 Cb 0.12 -1.36 0.02 0.00 1.02 0.00 0.00 30.24 30.03 1sg4 n GLN 189 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1sg4 h VAL 190 N 3.22 1.28 -0.20 5.09 3.04 -1.39 -1.17 116.25 126.12 1sg4 h VAL 190 Ca 0.00 -1.51 -0.20 0.00 -1.01 0.00 0.00 66.70 63.99 1sg4 h VAL 190 Cb 0.77 1.34 0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1sg4 h VAL 190 CO 0.00 0.50 -0.65 1.56 -1.01 0.00 0.00 177.57 177.97 1sg4 h GLN 191 N 0.72 0.79 -0.30 4.17 1.08 -1.84 -1.51 115.11 118.22 1sg4 h GLN 191 Ca 0.07 -0.59 -0.12 0.00 -1.45 0.00 0.00 58.65 56.57 1sg4 h GLN 191 Cb 0.91 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 1sg4 h GLN 191 CO 0.08 1.20 -0.30 0.66 -0.95 0.00 0.00 178.83 179.53 1sg4 h SER 192 N 0.53 0.65 -0.58 1.46 4.64 -1.83 -1.75 113.55 116.67 1sg4 h SER 192 Ca -0.03 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 1sg4 h SER 192 Cb 1.28 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1sg4 h SER 192 CO 0.14 0.91 0.02 0.74 -0.87 0.00 0.00 176.83 177.77 1sg4 h THR 193 N 0.54 1.26 -0.60 2.95 2.02 -1.15 -0.60 112.91 117.34 1sg4 h THR 193 Ca 0.07 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 1sg4 h THR 193 Cb 0.78 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1sg4 h THR 193 CO 0.06 0.41 0.11 0.00 0.37 0.00 0.00 175.52 176.47 1sg4 h ALA 194 N 1.06 1.05 -0.56 6.16 0.00 -0.97 -0.09 119.26 125.91 1sg4 h ALA 194 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1sg4 h ALA 194 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sg4 h ALA 194 CO 0.03 0.61 0.08 -0.07 0.00 0.00 0.00 179.25 179.90 1sg4 h LEU 195 N 0.91 0.90 -0.40 0.00 3.38 -0.85 -0.40 115.31 118.85 1sg4 h LEU 195 Ca 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sg4 h LEU 195 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sg4 h LEU 195 CO 0.01 0.94 0.24 -1.28 0.09 0.00 0.00 178.44 178.43 1sg4 h SER 196 N 0.83 0.48 -0.13 -0.43 0.87 -0.83 -1.23 113.55 113.11 1sg4 h SER 196 Ca 0.17 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1sg4 h SER 196 Cb 0.43 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1sg4 h SER 196 CO 0.01 0.41 0.05 0.00 -0.53 0.00 0.00 176.83 176.77 1sg4 h ALA 197 N 1.10 0.15 0.00 6.23 0.00 -0.86 -2.94 119.26 122.94 1sg4 h ALA 197 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1sg4 h ALA 197 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sg4 h ALA 197 CO -0.03 -0.40 -0.26 0.97 0.00 0.00 0.00 179.25 179.54 1sg4 h ILE 198 N 0.12 0.55 -0.86 0.00 2.10 -0.91 -2.30 117.51 116.21 1sg4 h ILE 198 Ca 0.06 -1.36 0.07 0.00 1.08 0.00 0.00 64.86 64.70 1sg4 h ILE 198 Cb 0.03 1.94 -0.06 0.00 -1.09 0.00 0.00 36.82 37.64 1sg4 h ILE 198 CO -0.05 0.26 0.53 0.00 -1.08 0.00 0.00 178.15 177.80 1sg4 h ALA 199 N 1.74 1.19 -0.38 0.18 0.00 -1.04 -0.41 119.26 120.54 1sg4 h ALA 199 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1sg4 h ALA 199 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1sg4 h ALA 199 CO 0.03 0.26 -0.34 1.96 0.00 0.00 0.00 179.25 181.16 1sg4 h GLN 200 N 0.95 0.86 -0.25 0.00 4.20 -1.34 -3.05 115.11 116.50 1sg4 h GLN 200 Ca 0.38 -0.43 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 1sg4 h GLN 200 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1sg4 h GLN 200 CO -0.18 1.07 -0.50 -1.49 -0.67 0.00 0.00 178.83 177.05 1sg4 h TRP 201 N 0.72 0.85 0.00 2.96 4.06 -1.21 -3.04 115.95 120.28 1sg4 h TRP 201 Ca 0.07 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.74 1sg4 h TRP 201 Cb 0.91 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1sg4 h TRP 201 CO 0.05 1.05 0.00 0.52 -3.56 0.00 0.00 178.44 176.50 1sg4 h MET 202 N 0.54 0.00 0.00 0.49 2.86 -1.05 -2.99 114.93 114.77 1sg4 h MET 202 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1sg4 h MET 202 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1sg4 h MET 202 CO 0.10 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.07 1sg4 h ALA 203 N 2.08 1.00 -2.68 6.32 0.00 -1.42 -3.45 119.26 121.11 1sg4 h ALA 203 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1sg4 h ALA 203 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1sg4 h ALA 203 CO 0.00 0.00 0.59 0.42 0.00 0.00 0.00 179.25 180.26 1sg4 s ILE 204 N -3.31 3.42 -0.44 0.00 -1.09 -1.13 -4.92 121.20 113.74 1sg4 s ILE 204 Ca 0.06 1.21 -0.45 0.00 -2.23 0.00 0.00 60.65 59.24 1sg4 s ILE 204 Cb 0.09 -3.77 -0.18 0.00 -1.58 0.00 0.00 42.46 37.02 1sg4 s ILE 204 CO 0.53 0.20 1.70 -2.65 -1.23 0.00 0.00 174.94 173.49 1sg4 n PRO 205 N 2.43 0.35 0.01 2.79 -0.02 -1.26 -4.83 135.00 134.47 1sg4 n PRO 205 Ca 0.04 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 1sg4 n PRO 205 Cb 0.44 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1sg4 n PRO 205 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1sg4 h ASP 206 N 6.13 0.02 -0.70 2.55 1.82 -1.91 -1.40 116.42 122.93 1sg4 h ASP 206 Ca -0.42 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 55.93 1sg4 h ASP 206 Cb 1.36 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.34 1sg4 h ASP 206 CO 0.99 0.24 0.18 -0.74 -1.61 0.00 0.00 179.24 178.29 1sg4 h HIS 207 N -0.21 1.16 -0.71 0.28 2.76 -1.99 -0.97 115.15 115.47 1sg4 h HIS 207 Ca 0.00 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.03 1sg4 h HIS 207 Cb 0.23 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1sg4 h HIS 207 CO 0.00 0.94 0.42 0.00 -1.30 0.00 0.00 177.93 178.00 1sg4 h ALA 208 N 1.08 0.91 -0.41 5.26 0.00 -1.90 0.53 119.26 124.73 1sg4 h ALA 208 Ca 0.22 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1sg4 h ALA 208 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sg4 h ALA 208 CO 0.00 0.39 0.25 -0.09 0.00 0.00 0.00 179.25 179.80 1sg4 h ARG 209 N 0.97 0.50 -0.54 0.00 2.43 -0.93 -1.37 114.38 115.45 1sg4 h ARG 209 Ca 0.26 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1sg4 h ARG 209 Cb -0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1sg4 h ARG 209 CO -0.05 0.33 0.22 1.96 -1.51 0.00 0.00 179.97 180.92 1sg4 h GLN 210 N 0.52 0.80 -0.58 0.20 4.20 -0.50 0.00 115.11 119.75 1sg4 h GLN 210 Ca 0.16 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1sg4 h GLN 210 Cb -0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1sg4 h GLN 210 CO -0.06 0.69 0.09 -0.07 -0.67 0.00 0.00 178.83 178.81 1sg4 h LEU 211 N 0.73 0.89 -0.25 1.46 3.38 -0.81 -1.03 115.31 119.68 1sg4 h LEU 211 Ca 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1sg4 h LEU 211 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sg4 h LEU 211 CO -0.02 0.89 0.05 0.74 0.09 0.00 0.00 178.44 180.20 1sg4 h THR 212 N 0.88 1.22 -0.56 0.22 2.02 -0.79 -0.36 112.91 115.54 1sg4 h THR 212 Ca 0.18 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1sg4 h THR 212 Cb 0.39 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1sg4 h THR 212 CO 0.01 0.23 0.32 0.50 0.37 0.00 0.00 175.52 176.95 1sg4 h LYS 213 N 0.22 0.61 -0.67 6.66 3.64 -0.78 -2.03 116.57 124.22 1sg4 h LYS 213 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1sg4 h LYS 213 Cb 0.30 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1sg4 h LYS 213 CO 0.00 0.40 0.37 0.00 -2.27 0.00 0.00 179.45 177.96 1sg4 h ALA 214 N 1.27 0.86 -0.81 5.00 0.00 -1.03 -1.60 119.26 122.95 1sg4 h ALA 214 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sg4 h ALA 214 Cb 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1sg4 h ALA 214 CO -0.12 0.37 0.53 1.98 0.00 0.00 0.00 179.25 182.01 1sg4 h MET 215 N 0.92 0.87 0.00 0.00 1.85 -0.49 0.16 114.93 118.24 1sg4 h MET 215 Ca 0.24 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 59.13 1sg4 h MET 215 Cb 0.03 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.84 1sg4 h MET 215 CO -0.04 0.58 -0.70 0.52 -0.40 0.00 0.00 176.91 176.86 1sg4 h MET 216 N 0.90 0.00 0.00 0.39 2.07 -0.75 -3.38 114.93 114.15 1sg4 h MET 216 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 1sg4 h MET 216 Cb 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1sg4 h MET 216 CO -0.12 0.70 -0.83 0.54 1.07 0.00 0.00 176.91 178.27 1sg4 n ARG 217 N -3.48 2.45 -0.08 1.72 1.74 -0.66 -4.73 116.66 113.62 1sg4 n ARG 217 Ca 0.00 -0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 1sg4 n ARG 217 Cb 0.74 -1.00 0.17 0.00 -1.02 0.00 0.00 32.46 31.36 1sg4 n ARG 217 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1sg4 h LYS 218 N 0.00 0.72 -0.76 5.56 3.64 -0.89 -2.10 116.57 122.75 1sg4 h LYS 218 Ca 0.00 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1sg4 h LYS 218 Cb 0.24 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1sg4 h LYS 218 CO 0.00 0.77 0.33 0.00 -2.27 0.00 0.00 179.45 178.28 1sg4 h ALA 219 N 1.27 0.98 -0.21 5.00 0.00 -1.85 0.20 119.26 124.66 1sg4 h ALA 219 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sg4 h ALA 219 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sg4 h ALA 219 CO 0.03 0.58 0.02 1.15 0.00 0.00 0.00 179.25 181.03 1sg4 h THR 220 N 1.08 1.23 -0.61 0.00 2.02 -1.76 -2.81 112.91 112.06 1sg4 h THR 220 Ca 0.26 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 1sg4 h THR 220 Cb 0.18 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1sg4 h THR 220 CO -0.03 0.24 0.08 0.00 0.37 0.00 0.00 175.52 176.18 1sg4 h ALA 221 N 0.82 0.98 0.00 6.16 0.00 -1.05 -2.84 119.26 123.34 1sg4 h ALA 221 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sg4 h ALA 221 Cb 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sg4 h ALA 221 CO 0.01 0.64 -0.03 0.77 0.00 0.00 0.00 179.25 180.63 1sg4 h SER 222 N 0.94 0.00 -0.16 0.00 0.02 -0.47 -1.13 113.55 112.76 1sg4 h SER 222 Ca 0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1sg4 h SER 222 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1sg4 h SER 222 CO 0.01 0.03 -0.05 0.03 -1.14 0.00 0.00 176.83 175.71 1sg4 h ARG 223 N 0.00 0.46 0.12 3.45 2.47 -1.24 -0.63 114.38 119.00 1sg4 h ARG 223 Ca -0.00 -0.11 -0.17 0.00 -1.26 0.00 0.00 59.98 58.45 1sg4 h ARG 223 Cb 0.05 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1sg4 h ARG 223 CO 0.00 0.53 -0.77 1.25 0.56 0.00 0.00 179.97 181.54 1sg4 h LEU 224 N 0.44 0.38 -0.74 3.04 5.85 -1.35 -3.29 115.31 119.64 1sg4 h LEU 224 Ca 0.09 -0.94 0.10 0.00 0.84 0.00 0.00 57.88 57.97 1sg4 h LEU 224 Cb 0.37 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1sg4 h LEU 224 CO 0.02 1.36 0.37 0.58 -0.34 0.00 0.00 178.44 180.43 1sg4 h VAL 225 N -0.47 0.84 0.00 1.05 2.07 -1.03 0.48 116.25 119.19 1sg4 h VAL 225 Ca -0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sg4 h VAL 225 Cb 1.56 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1sg4 h VAL 225 CO 0.11 0.11 0.00 0.35 0.02 0.00 0.00 177.57 178.17 1sg4 n THR 226 N -4.85 0.40 -2.15 2.57 -2.24 -0.26 -3.32 114.28 104.43 1sg4 n THR 226 Ca 0.12 0.10 0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1sg4 n THR 226 Cb 0.29 -0.71 0.09 0.00 -2.10 0.00 0.00 70.33 67.91 1sg4 n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg4 n GLN 227 N -1.48 0.65 -0.06 -0.78 10.64 -0.01 -4.92 117.38 121.42 1sg4 n GLN 227 Ca 0.06 -2.53 -0.12 0.00 -1.83 0.00 0.00 57.00 52.58 1sg4 n GLN 227 Cb 0.26 -0.65 -0.06 0.00 -0.86 0.00 0.00 30.24 28.93 1sg4 n GLN 227 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1sg4 h ARG 228 N 1.02 0.37 -0.04 2.61 2.43 -1.07 -0.62 114.38 119.08 1sg4 h ARG 228 Ca -0.14 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.72 1sg4 h ARG 228 Cb 1.55 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1sg4 h ARG 228 CO 0.07 0.67 -0.66 -0.44 -1.51 0.00 0.00 179.97 178.10 1sg4 h ASP 229 N 0.06 0.21 -0.93 -3.80 3.32 -1.88 -2.21 116.42 111.18 1sg4 h ASP 229 Ca 0.04 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1sg4 h ASP 229 Cb 0.56 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1sg4 h ASP 229 CO 0.03 0.81 0.61 0.00 -1.72 0.00 0.00 179.24 178.96 1sg4 h ALA 230 N 1.19 1.22 -0.43 3.45 0.00 -1.91 -1.72 119.26 121.07 1sg4 h ALA 230 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1sg4 h ALA 230 Cb 1.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1sg4 h ALA 230 CO 0.10 0.49 -0.08 0.22 0.00 0.00 0.00 179.25 179.98 1sg4 h ASP 231 N 1.19 0.74 -0.38 0.00 3.58 -0.60 0.96 116.42 121.91 1sg4 h ASP 231 Ca 0.37 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1sg4 h ASP 231 Cb -0.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1sg4 h ASP 231 CO -0.11 0.86 0.24 0.58 -2.88 0.00 0.00 179.24 177.93 1sg4 h VAL 232 N 0.69 1.07 -0.42 2.25 2.07 -1.00 -0.98 116.25 119.93 1sg4 h VAL 232 Ca 0.12 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1sg4 h VAL 232 Cb 0.55 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1sg4 h VAL 232 CO 0.03 0.09 0.18 1.56 0.02 0.00 0.00 177.57 179.45 1sg4 h GLN 233 N 0.49 0.35 -0.57 1.57 4.20 -0.80 -0.95 115.11 119.41 1sg4 h GLN 233 Ca 0.15 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1sg4 h GLN 233 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1sg4 h GLN 233 CO -0.05 0.23 0.13 -0.91 -0.67 0.00 0.00 178.83 177.57 1sg4 h ASN 234 N 0.37 0.88 -0.15 1.46 -0.26 -0.61 0.04 115.58 117.29 1sg4 h ASN 234 Ca 0.19 -0.24 0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1sg4 h ASN 234 Cb 0.14 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1sg4 h ASN 234 CO -0.17 0.89 0.04 0.15 -1.06 0.00 0.00 177.43 177.29 1sg4 h PHE 235 N 0.83 0.08 -0.32 1.19 3.57 -0.70 -0.59 116.94 120.99 1sg4 h PHE 235 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1sg4 h PHE 235 Cb 0.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1sg4 h PHE 235 CO 0.03 0.04 0.18 0.28 -2.23 0.00 0.00 178.31 176.60 1sg4 h VAL 236 N 0.12 1.13 -0.56 1.41 2.07 -0.88 0.13 116.25 119.67 1sg4 h VAL 236 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1sg4 h VAL 236 Cb 0.05 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1sg4 h VAL 236 CO -0.08 0.13 0.30 -1.28 0.02 0.00 0.00 177.57 176.66 1sg4 h SER 237 N 0.40 0.70 0.05 0.57 0.87 -0.80 -2.05 113.55 113.30 1sg4 h SER 237 Ca 0.11 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sg4 h SER 237 Cb 0.04 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1sg4 h SER 237 CO -0.02 0.59 -0.03 0.15 -0.53 0.00 0.00 176.83 177.00 1sg4 h PHE 238 N 0.75 -0.07 0.00 2.24 3.57 -0.85 -3.17 116.94 119.40 1sg4 h PHE 238 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1sg4 h PHE 238 Cb 0.05 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1sg4 h PHE 238 CO -0.01 0.28 -0.06 0.97 -2.23 0.00 0.00 178.31 177.26 1sg4 h ILE 239 N -0.43 0.19 0.00 1.41 6.09 -0.70 -2.50 117.51 121.58 1sg4 h ILE 239 Ca -0.01 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1sg4 h ILE 239 Cb 0.38 1.48 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1sg4 h ILE 239 CO 0.01 0.06 -0.07 0.28 -3.07 0.00 0.00 178.15 175.37 1sg4 h SER 240 N 0.00 0.00 -3.58 2.19 0.02 -1.35 -3.34 113.55 107.49 1sg4 h SER 240 Ca -0.00 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.37 1sg4 h SER 240 Cb 0.47 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.12 1sg4 h SER 240 CO 0.01 0.01 0.64 0.29 -1.14 0.00 0.00 176.83 176.64 1sg4 n LYS 241 N -2.33 2.39 0.01 3.45 5.02 -0.94 -4.77 118.16 120.99 1sg4 n LYS 241 Ca 0.05 0.84 0.02 0.00 -2.02 0.00 0.00 58.31 57.20 1sg4 n LYS 241 Cb 0.44 -2.49 0.37 0.00 -0.02 0.00 0.00 35.03 33.33 1sg4 n LYS 241 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1sg4 h ASP 242 N 2.79 0.45 -0.21 4.39 3.58 -1.90 0.13 116.42 125.65 1sg4 h ASP 242 Ca -0.48 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 56.86 1sg4 h ASP 242 Cb 1.26 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1sg4 h ASP 242 CO 0.64 0.43 -0.04 0.77 -2.88 0.00 0.00 179.24 178.15 1sg4 h SER 243 N 0.50 0.50 -0.03 2.28 4.64 -1.96 0.28 113.55 119.76 1sg4 h SER 243 Ca 0.12 -0.11 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1sg4 h SER 243 Cb 0.13 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1sg4 h SER 243 CO -0.01 0.61 -0.76 0.40 -0.87 0.00 0.00 176.83 176.19 1sg4 h ILE 244 N 0.50 1.35 -0.77 0.95 1.08 -1.58 -1.72 117.51 117.32 1sg4 h ILE 244 Ca 0.10 -2.08 0.06 0.00 -0.39 0.00 0.00 64.86 62.55 1sg4 h ILE 244 Cb 0.39 2.39 -0.06 0.00 -3.07 0.00 0.00 36.82 36.47 1sg4 h ILE 244 CO 0.02 0.63 0.46 1.56 -0.69 0.00 0.00 178.15 180.13 1sg4 h GLN 245 N 0.18 0.81 -0.32 2.37 1.08 -0.85 0.10 115.11 118.48 1sg4 h GLN 245 Ca -0.09 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1sg4 h GLN 245 Cb 1.43 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1sg4 h GLN 245 CO 0.15 0.53 0.16 -0.22 -0.95 0.00 0.00 178.83 178.51 1sg4 h LYS 246 N 0.83 0.46 -0.18 1.46 3.64 -0.91 0.26 116.57 122.13 1sg4 h LYS 246 Ca 0.34 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1sg4 h LYS 246 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1sg4 h LYS 246 CO -0.18 0.42 0.07 0.77 -2.27 0.00 0.00 179.45 178.26 1sg4 h SER 247 N 0.39 0.10 -0.52 4.20 0.02 -0.80 0.11 113.55 117.04 1sg4 h SER 247 Ca 0.11 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1sg4 h SER 247 Cb 0.11 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1sg4 h SER 247 CO -0.01 0.08 0.10 -0.07 -1.14 0.00 0.00 176.83 175.79 1sg4 h LEU 248 N 0.17 0.81 -0.91 5.07 3.38 -0.54 0.11 115.31 123.39 1sg4 h LEU 248 Ca 0.07 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1sg4 h LEU 248 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1sg4 h LEU 248 CO -0.06 0.85 -0.41 1.56 0.09 0.00 0.00 178.44 180.47 1sg4 h GLN 249 N 0.74 0.28 -0.40 1.13 1.08 -0.33 -0.44 115.11 117.16 1sg4 h GLN 249 Ca 0.16 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1sg4 h GLN 249 Cb 0.38 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1sg4 h GLN 249 CO 0.01 0.64 0.05 0.52 -0.95 0.00 0.00 178.83 179.10 1sg4 h MET 250 N 0.23 0.67 -0.86 1.46 2.86 -0.51 -0.89 114.93 117.89 1sg4 h MET 250 Ca 0.02 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1sg4 h MET 250 Cb 0.82 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1sg4 h MET 250 CO 0.07 0.72 0.42 -0.92 1.06 0.00 0.00 176.91 178.26 1sg4 h TYR 251 N 0.51 1.22 -0.64 -0.22 3.20 -0.62 0.18 116.97 120.61 1sg4 h TYR 251 Ca 0.12 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1sg4 h TYR 251 Cb 0.39 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1sg4 h TYR 251 CO 0.03 0.88 0.40 -0.07 -1.64 0.00 0.00 178.16 177.75 1sg4 h LEU 252 N 1.22 0.66 -0.52 2.82 3.38 -0.91 0.29 115.31 122.24 1sg4 h LEU 252 Ca 0.29 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1sg4 h LEU 252 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sg4 h LEU 252 CO -0.04 0.46 0.12 -0.08 0.09 0.00 0.00 178.44 179.00 1sg4 h GLU 253 N 0.79 0.84 -0.64 1.13 4.57 -0.74 -0.58 114.58 119.95 1sg4 h GLU 253 Ca 0.25 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1sg4 h GLU 253 Cb 0.00 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1sg4 h GLU 253 CO -0.09 0.81 0.41 -0.09 -1.18 0.00 0.00 179.01 178.86 1sg4 h ARG 254 N 0.74 0.81 -0.77 1.92 2.43 -0.16 -1.61 114.38 117.73 1sg4 h ARG 254 Ca 0.16 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1sg4 h ARG 254 Cb 0.35 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1sg4 h ARG 254 CO 0.00 0.53 0.49 -0.07 -1.51 0.00 0.00 179.97 179.42 1sg4 h LEU 255 N 0.83 0.82 -0.68 3.80 3.38 -0.50 -0.54 115.31 122.42 1sg4 h LEU 255 Ca 0.24 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 1sg4 h LEU 255 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1sg4 h LEU 255 CO -0.07 0.58 -0.39 0.50 0.09 0.00 0.00 178.44 179.14 1sg4 h LYS 256 N 0.97 0.57 -0.27 1.13 3.64 -0.65 -2.85 116.57 119.12 1sg4 h LYS 256 Ca 0.30 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1sg4 h LYS 256 Cb -0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1sg4 h LYS 256 CO -0.10 0.87 -0.35 0.93 -2.27 0.00 0.00 179.45 178.53 1sg4 h GLU 257 N 0.48 0.60 0.00 1.90 5.08 -0.95 -2.17 114.58 119.50 1sg4 h GLU 257 Ca 0.04 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1sg4 h GLU 257 Cb 0.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1sg4 h GLU 257 CO 0.08 0.86 0.00 0.39 -1.00 0.00 0.00 179.01 179.34 1sg4 n GLU 258 N -4.06 0.30 0.00 2.33 1.02 -0.24 -3.86 120.64 116.13 1sg4 n GLU 258 Ca -0.01 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1sg4 n GLU 258 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1sg4 n GLU 258 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1sg4 n LYS 259 N -1.17 0.00 0.00 3.49 -0.00 -1.02 -5.11 118.16 114.35 1sg4 n LYS 259 Ca 0.08 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.53 1sg4 n LYS 259 Cb 0.09 -0.90 0.45 0.00 -0.00 0.00 0.00 35.03 34.66 1sg4 n LYS 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81