#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n31 s VAL 2 N 0.00 1.37 0.02 2.53 -7.23 -0.64 -5.03 120.40 111.41 3n31 s VAL 2 Ca 0.00 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3n31 s VAL 2 Cb 0.00 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 3n31 s VAL 2 CO 0.00 -0.29 -0.10 -0.44 -0.31 0.00 0.00 175.10 173.96 3n31 s SER 3 N -2.16 1.14 -0.03 4.85 0.01 -1.26 0.26 113.70 116.50 3n31 s SER 3 Ca 0.06 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 3n31 s SER 3 Cb -0.07 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.10 3n31 s SER 3 CO 0.03 0.02 0.07 0.12 0.41 0.00 0.00 173.24 173.90 3n31 s PHE 4 N -0.60 -0.06 -0.14 2.43 5.36 0.10 -4.83 117.98 120.24 3n31 s PHE 4 Ca 0.00 0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 3n31 s PHE 4 Cb -0.06 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.50 3n31 s PHE 4 CO 0.00 -0.09 -0.10 1.03 -1.46 0.00 0.00 175.22 174.60 3n31 s ARG 5 N 0.77 3.47 0.23 10.12 0.52 -1.26 -0.95 118.95 131.85 3n31 s ARG 5 Ca -0.06 -0.63 0.11 0.00 -0.52 0.00 0.00 55.73 54.62 3n31 s ARG 5 Cb -0.08 -2.72 0.14 0.00 0.52 0.00 0.00 34.95 32.80 3n31 s ARG 5 CO -0.03 0.21 1.48 -0.07 0.02 0.00 0.00 175.30 176.91 3n31 h LEU 6 N 6.73 0.00 -9.16 2.53 -0.00 -1.17 -3.36 115.31 110.88 3n31 h LEU 6 Ca -0.28 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.05 3n31 h LEU 6 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 3n31 h LEU 6 CO 0.58 0.72 1.10 -0.55 -0.00 0.00 0.00 178.44 180.29 3n31 s SER 7 N -6.69 6.55 0.00 -0.43 0.15 -1.26 -2.04 113.70 109.99 3n31 s SER 7 Ca 0.00 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.61 3n31 s SER 7 Cb 0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3n31 s SER 7 CO 0.77 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3n31 n GLY 8 N 4.32 0.75 3.77 9.45 0.00 -1.26 -5.01 105.19 117.21 3n31 n GLY 8 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3n31 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n31 s ALA 9 N -2.91 2.67 0.33 4.61 0.00 -0.86 -4.97 121.76 120.63 3n31 s ALA 9 Ca 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 3n31 s ALA 9 Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3n31 s ALA 9 CO 0.00 -0.82 0.55 0.16 0.00 0.00 0.00 175.76 175.65 3n31 s ASP 10 N -1.90 0.43 0.38 0.00 -4.77 -1.26 -5.01 116.67 104.54 3n31 s ASP 10 Ca 0.72 -1.25 0.10 0.00 -3.30 0.00 0.00 52.55 48.82 3n31 s ASP 10 Cb -0.23 0.69 0.87 0.00 -1.09 0.00 0.00 42.92 43.16 3n31 s ASP 10 CO 0.29 -1.35 1.90 -0.65 0.70 0.00 0.00 175.17 176.06 3n31 h PRO 11 N 2.12 0.61 0.85 2.11 0.11 -1.95 -1.54 132.00 134.32 3n31 h PRO 11 Ca -0.28 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 3n31 h PRO 11 Cb 1.24 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3n31 h PRO 11 CO 0.38 0.40 -0.41 1.03 -0.21 0.00 0.00 178.00 179.19 3n31 h SER 12 N 0.62 -0.97 0.08 -2.05 0.87 -1.96 0.17 113.55 110.31 3n31 h SER 12 Ca 0.39 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 3n31 h SER 12 Cb 0.65 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3n31 h SER 12 CO -0.16 -0.65 -0.11 0.77 -0.53 0.00 0.00 176.83 176.15 3n31 h SER 13 N -1.23 0.07 -0.23 6.23 4.64 -1.88 0.13 113.55 121.28 3n31 h SER 13 Ca -0.12 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3n31 h SER 13 Cb 0.88 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3n31 h SER 13 CO 0.19 0.20 0.01 0.22 -0.87 0.00 0.00 176.83 176.59 3n31 h TYR 14 N 0.08 0.42 -0.88 4.77 3.20 -1.32 -0.41 116.97 122.83 3n31 h TYR 14 Ca 0.02 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.90 3n31 h TYR 14 Cb 0.25 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 3n31 h TYR 14 CO 0.00 0.55 0.54 0.78 -1.64 0.00 0.00 178.16 178.39 3n31 h GLY 15 N 0.17 1.36 1.22 1.82 0.00 0.13 -0.88 103.07 106.90 3n31 h GLY 15 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3n31 h GLY 15 CO 0.01 0.22 0.22 -0.33 0.00 0.00 0.00 176.54 176.66 3n31 h MET 16 N 0.95 0.98 -0.48 4.80 2.86 -0.93 -0.05 114.93 123.07 3n31 h MET 16 Ca 0.40 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 3n31 h MET 16 Cb 0.26 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3n31 h MET 16 CO -0.21 0.83 0.06 0.35 1.06 0.00 0.00 176.91 179.00 3n31 h PHE 17 N 0.96 0.86 -0.16 -0.22 3.57 0.22 -0.29 116.94 121.87 3n31 h PHE 17 Ca 0.22 -0.13 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 3n31 h PHE 17 Cb 0.24 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3n31 h PHE 17 CO 0.02 0.80 -0.60 0.82 -2.23 0.00 0.00 178.31 177.11 3n31 h ILE 18 N 0.67 1.33 0.09 1.41 1.08 -0.96 0.36 117.51 121.48 3n31 h ILE 18 Ca 0.14 -1.88 0.02 0.00 -0.39 0.00 0.00 64.86 62.75 3n31 h ILE 18 Cb 0.42 1.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 3n31 h ILE 18 CO 0.01 0.58 -0.35 0.50 -0.69 0.00 0.00 178.15 178.20 3n31 h LYS 19 N 0.40 -0.54 -0.77 2.37 3.64 -0.90 0.91 116.57 121.69 3n31 h LYS 19 Ca -0.00 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3n31 h LYS 19 Cb 1.16 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 3n31 h LYS 19 CO 0.11 -0.36 0.40 -0.44 -2.27 0.00 0.00 179.45 176.89 3n31 h ASP 20 N -0.56 0.53 0.05 4.20 5.19 -0.67 -0.06 116.42 125.09 3n31 h ASP 20 Ca 0.04 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3n31 h ASP 20 Cb 0.61 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3n31 h ASP 20 CO -0.23 0.29 -0.03 0.25 -3.12 0.00 0.00 179.24 176.40 3n31 h LEU 21 N 0.65 -0.06 -1.07 1.55 5.85 -0.00 -1.82 115.31 120.41 3n31 h LEU 21 Ca 0.38 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.18 3n31 h LEU 21 Cb 0.42 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 3n31 h LEU 21 CO -0.28 -0.04 0.62 0.03 -0.34 0.00 0.00 178.44 178.43 3n31 h ARG 22 N -0.07 1.06 -0.00 1.25 3.08 -0.26 -2.06 114.38 117.38 3n31 h ARG 22 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3n31 h ARG 22 Cb 0.05 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3n31 h ARG 22 CO 0.01 0.70 -0.05 0.09 -1.07 0.00 0.00 179.97 179.65 3n31 n ASN 23 N -4.51 0.11 0.03 7.04 5.03 -0.09 -2.32 115.26 120.56 3n31 n ASN 23 Ca 0.15 -0.02 0.12 0.00 0.87 0.00 0.00 54.58 55.70 3n31 n ASN 23 Cb 0.21 -0.28 0.11 0.00 -1.02 0.00 0.00 39.78 38.79 3n31 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3n31 n ALA 24 N -1.31 3.29 -2.63 5.41 0.00 -0.71 -4.81 120.51 119.75 3n31 n ALA 24 Ca 0.11 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 3n31 n ALA 24 Cb 0.28 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 3n31 n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n31 s LEU 25 N -3.86 4.06 0.43 0.00 1.43 -0.98 -5.02 118.68 114.74 3n31 s LEU 25 Ca 0.06 0.94 -0.22 0.00 -1.03 0.00 0.00 54.13 53.88 3n31 s LEU 25 Cb 0.15 -3.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.03 3n31 s LEU 25 CO 0.76 -0.62 0.98 -2.16 0.23 0.00 0.00 176.35 175.54 3n31 s PRO 26 N 3.03 4.17 -0.03 1.29 0.04 -1.26 -5.05 135.00 137.18 3n31 s PRO 26 Ca 0.36 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 3n31 s PRO 26 Cb -0.14 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3n31 s PRO 26 CO 0.10 -0.09 0.31 -3.38 0.04 0.00 0.00 177.00 173.97 3n31 s HIS 27 N -2.00 -0.20 -0.03 0.56 -3.43 -1.26 -3.86 115.29 105.06 3n31 s HIS 27 Ca 0.61 0.36 0.16 0.00 -0.80 0.00 0.00 55.06 55.39 3n31 s HIS 27 Cb -0.13 0.09 -0.25 0.00 -1.43 0.00 0.00 32.58 30.86 3n31 s HIS 27 CO 0.18 -0.35 0.33 0.25 -2.00 0.00 0.00 174.74 173.15 3n31 n THR 28 N 1.57 0.08 -4.22 -5.38 -2.24 -1.26 -5.03 114.28 97.80 3n31 n THR 28 Ca -0.20 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.01 3n31 n THR 28 Cb 0.56 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 3n31 n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3n31 s GLU 29 N -3.08 0.97 -0.08 -0.78 2.12 -1.26 -5.07 118.70 111.51 3n31 s GLU 29 Ca -0.06 -1.20 0.04 0.00 0.36 0.00 0.00 54.97 54.11 3n31 s GLU 29 Cb 0.10 -0.82 0.00 0.00 0.26 0.00 0.00 34.13 33.68 3n31 s GLU 29 CO 0.67 0.15 -0.20 0.15 -0.54 0.00 0.00 175.26 175.50 3n31 s LYS 30 N -2.61 2.51 -0.23 4.30 1.02 -1.26 -0.45 119.74 123.02 3n31 s LYS 30 Ca 0.07 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 3n31 s LYS 30 Cb -0.05 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.31 3n31 s LYS 30 CO 0.02 0.16 -0.09 0.08 -0.92 0.00 0.00 175.35 174.60 3n31 s VAL 31 N 0.37 2.79 -1.54 3.17 1.01 -0.49 -4.44 120.40 121.27 3n31 s VAL 31 Ca -0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 3n31 s VAL 31 Cb -0.17 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 33.96 3n31 s VAL 31 CO 0.07 0.32 0.69 -1.22 0.00 0.00 0.00 175.10 174.96 3n31 n TYR 32 N 4.68 -1.84 -1.72 5.22 4.01 -1.26 -2.28 117.16 123.98 3n31 n TYR 32 Ca -0.18 0.81 -0.14 0.00 -0.16 0.00 0.00 57.90 58.23 3n31 n TYR 32 Cb 0.48 -3.53 -0.04 0.00 -0.31 0.00 0.00 39.34 35.94 3n31 n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n31 n ASN 33 N -2.84 -4.50 -4.24 7.72 5.15 -1.26 -5.00 115.26 110.29 3n31 n ASN 33 Ca -0.09 0.21 -0.33 0.00 -0.60 0.00 0.00 54.58 53.77 3n31 n ASN 33 Cb 0.58 -3.38 -0.16 0.00 -0.53 0.00 0.00 39.78 36.29 3n31 n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3n31 s ILE 34 N -2.57 2.35 -0.11 -1.44 1.01 -0.97 -5.07 121.20 114.40 3n31 s ILE 34 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 60.65 59.37 3n31 s ILE 34 Cb 0.00 -1.95 -0.16 0.00 0.01 0.00 0.00 42.46 40.37 3n31 s ILE 34 CO 0.00 0.54 1.60 -2.65 0.00 0.00 0.00 174.94 174.43 3n31 n PRO 35 N 3.80 1.27 -3.34 2.79 -0.02 -1.26 -1.39 135.00 136.86 3n31 n PRO 35 Ca -0.19 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 3n31 n PRO 35 Cb 0.52 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3n31 n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n31 s LEU 36 N 2.33 4.11 0.38 2.45 2.96 0.40 -1.67 118.68 129.65 3n31 s LEU 36 Ca 0.92 0.26 -0.27 0.00 -0.22 0.00 0.00 54.13 54.82 3n31 s LEU 36 Cb -0.98 -2.49 -0.09 0.00 0.50 0.00 0.00 46.19 43.12 3n31 s LEU 36 CO 0.56 -0.26 1.32 -0.76 -1.32 0.00 0.00 176.35 175.89 3n31 s LEU 37 N 2.16 4.28 0.52 -0.68 1.43 0.15 -4.30 118.68 122.24 3n31 s LEU 37 Ca 0.17 2.69 -0.23 0.00 -1.03 0.00 0.00 54.13 55.73 3n31 s LEU 37 Cb -0.16 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 3n31 s LEU 37 CO 0.10 -0.76 1.39 0.18 0.23 0.00 0.00 176.35 177.48 3n31 n LEU 38 N 0.33 5.41 -0.31 1.79 4.77 -1.25 -3.92 117.00 123.82 3n31 n LEU 38 Ca 0.02 1.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.99 3n31 n LEU 38 Cb 0.43 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.01 3n31 n LEU 38 CO 0.57 -0.44 1.23 -0.65 -1.33 0.00 0.00 177.39 176.77 3n31 h PRO 39 N 1.71 1.11 -3.11 3.23 0.11 -1.93 -3.44 132.00 129.68 3n31 h PRO 39 Ca -0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 3n31 h PRO 39 Cb 1.29 -0.25 -0.10 0.00 0.11 0.00 0.00 31.00 32.05 3n31 h PRO 39 CO 0.58 0.73 0.14 -1.54 -0.21 0.00 0.00 178.00 177.71 3n31 s SER 40 N -5.97 -0.41 -0.12 -2.05 1.04 -1.26 -4.80 113.70 100.14 3n31 s SER 40 Ca -0.13 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 3n31 s SER 40 Cb 0.16 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.94 3n31 s SER 40 CO 0.79 -1.05 0.26 -0.69 0.98 0.00 0.00 173.24 173.53 3n31 s VAL 41 N -3.82 -0.25 0.13 5.02 1.01 -1.26 -5.06 120.40 116.17 3n31 s VAL 41 Ca 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3n31 s VAL 41 Cb -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 3n31 s VAL 41 CO -0.07 0.09 0.50 -0.44 0.00 0.00 0.00 175.10 175.18 3n31 s SER 42 N 1.92 6.74 0.42 3.32 0.01 -1.26 -4.40 113.70 120.45 3n31 s SER 42 Ca -0.03 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.19 3n31 s SER 42 Cb -0.11 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.88 3n31 s SER 42 CO -0.09 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3n31 n GLY 43 N 0.72 0.57 0.10 3.44 0.00 -1.26 -3.99 105.19 104.77 3n31 n GLY 43 Ca -0.05 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.26 3n31 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n31 n ALA 44 N 6.01 2.32 0.53 4.61 0.00 -1.26 -2.77 120.51 129.95 3n31 n ALA 44 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3n31 n ALA 44 Cb 0.00 -1.45 0.43 0.00 0.00 0.00 0.00 19.45 18.43 3n31 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n31 n GLY 45 N 1.31 -1.26 0.10 0.00 0.00 -1.26 -2.72 105.19 101.38 3n31 n GLY 45 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3n31 n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n31 n ARG 46 N -1.89 0.13 -4.04 1.61 0.63 -1.11 -4.73 116.66 107.25 3n31 n ARG 46 Ca 0.04 0.44 -0.31 0.00 -0.92 0.00 0.00 57.85 57.10 3n31 n ARG 46 Cb 0.25 -1.79 -0.16 0.00 0.45 0.00 0.00 32.46 31.21 3n31 n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3n31 s TYR 47 N -3.27 2.34 0.06 -0.14 2.02 -1.10 -0.08 117.35 117.17 3n31 s TYR 47 Ca 0.03 -1.37 -0.25 0.00 -0.37 0.00 0.00 57.07 55.11 3n31 s TYR 47 Cb 0.08 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.91 3n31 s TYR 47 CO 0.30 -0.71 0.76 -1.17 -1.57 0.00 0.00 175.55 173.15 3n31 s LEU 48 N 1.43 4.47 -0.25 -1.29 2.96 0.16 -4.85 118.68 121.31 3n31 s LEU 48 Ca 0.04 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.26 3n31 s LEU 48 Cb -0.13 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3n31 s LEU 48 CO -0.11 0.05 0.39 -0.76 -1.32 0.00 0.00 176.35 174.61 3n31 s LEU 49 N -0.23 4.07 -0.24 -0.68 1.43 -1.26 0.81 118.68 122.58 3n31 s LEU 49 Ca 0.38 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.77 3n31 s LEU 49 Cb -0.21 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3n31 s LEU 49 CO 0.23 -0.17 0.05 -0.04 0.23 0.00 0.00 176.35 176.65 3n31 s MET 50 N 1.92 3.63 -0.38 1.70 -1.94 -0.05 -1.62 119.30 122.57 3n31 s MET 50 Ca 0.17 -0.49 -0.19 0.00 -1.71 0.00 0.00 55.69 53.46 3n31 s MET 50 Cb -0.15 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.43 3n31 s MET 50 CO 0.09 -0.16 0.56 -1.01 -0.01 0.00 0.00 175.02 174.50 3n31 s HIS 51 N 1.50 3.14 -0.12 -0.03 0.09 0.14 -0.34 115.29 119.68 3n31 s HIS 51 Ca 0.06 0.10 -0.01 0.00 -0.00 0.00 0.00 55.06 55.21 3n31 s HIS 51 Cb -0.15 -3.07 -0.03 0.00 -0.00 0.00 0.00 32.58 29.34 3n31 s HIS 51 CO 0.03 -0.65 -0.06 -0.51 -0.00 0.00 0.00 174.74 173.54 3n31 s LEU 52 N 2.54 3.16 -0.09 0.89 1.43 0.13 -0.72 118.68 126.01 3n31 s LEU 52 Ca 0.20 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3n31 s LEU 52 Cb -0.15 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3n31 s LEU 52 CO 0.15 0.25 -0.19 -0.36 0.23 0.00 0.00 176.35 176.43 3n31 s PHE 53 N -0.11 2.14 1.09 0.29 0.40 -0.12 -1.66 117.98 120.00 3n31 s PHE 53 Ca 0.01 -0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 55.27 3n31 s PHE 53 Cb -0.13 -1.48 0.24 0.00 0.51 0.00 0.00 43.02 42.16 3n31 s PHE 53 CO 0.03 -0.41 1.19 0.54 0.70 0.00 0.00 175.22 177.27 3n31 s ASN 54 N 0.60 1.96 0.36 1.36 4.22 0.12 -0.81 114.94 122.75 3n31 s ASN 54 Ca -0.14 0.53 0.08 0.00 -2.14 0.00 0.00 52.86 51.19 3n31 s ASN 54 Cb -0.17 -0.73 0.80 0.00 1.28 0.00 0.00 41.25 42.43 3n31 s ASN 54 CO 0.05 -3.47 1.91 0.22 -2.04 0.00 0.00 177.10 173.77 3n31 h TYR 55 N -2.14 0.77 0.00 1.54 3.20 -1.87 0.25 116.97 118.72 3n31 h TYR 55 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3n31 h TYR 55 Cb 1.28 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3n31 h TYR 55 CO -1.54 0.34 0.00 -0.25 -1.64 0.00 0.00 178.16 175.07 3n31 n ASP 56 N -4.51 0.00 0.00 -2.11 8.00 -1.26 -4.43 116.55 112.23 3n31 n ASP 56 Ca 0.14 0.44 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3n31 n ASP 56 Cb 0.36 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3n31 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n31 n GLY 57 N 0.25 0.72 3.80 0.44 0.00 0.87 -5.06 105.19 106.22 3n31 n GLY 57 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3n31 n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n31 s ASN 58 N -2.78 6.08 0.03 1.61 0.01 -1.26 -4.71 114.94 113.92 3n31 s ASN 58 Ca 0.00 1.85 0.01 0.00 -0.71 0.00 0.00 52.86 54.01 3n31 s ASN 58 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 3n31 s ASN 58 CO 0.00 -0.96 -0.04 0.28 -1.51 0.00 0.00 177.10 174.87 3n31 s THR 59 N -2.25 0.22 0.16 1.60 -1.32 -1.26 0.11 115.64 112.90 3n31 s THR 59 Ca 0.65 -0.95 0.07 0.00 -1.21 0.00 0.00 61.69 60.26 3n31 s THR 59 Cb -0.16 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 3n31 s THR 59 CO 0.29 -0.46 -0.16 0.27 -2.21 0.00 0.00 174.62 172.35 3n31 s ILE 60 N -1.43 1.63 -0.16 5.08 -4.36 -0.67 -4.42 121.20 116.88 3n31 s ILE 60 Ca -0.14 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3n31 s ILE 60 Cb -0.10 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 3n31 s ILE 60 CO -0.01 -0.42 -0.12 -0.89 0.24 0.00 0.00 174.94 173.74 3n31 s THR 61 N -2.31 2.97 -0.10 8.37 2.01 -0.51 -0.69 115.64 125.38 3n31 s THR 61 Ca 0.15 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 3n31 s THR 61 Cb -0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3n31 s THR 61 CO 0.05 0.50 0.00 -0.69 -0.69 0.00 0.00 174.62 173.80 3n31 s VAL 62 N 0.73 4.31 -0.20 3.82 1.01 0.54 0.39 120.40 131.00 3n31 s VAL 62 Ca -0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3n31 s VAL 62 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3n31 s VAL 62 CO 0.02 0.59 0.05 0.00 0.00 0.00 0.00 175.10 175.75 3n31 s ALA 63 N -0.70 3.25 -0.12 5.51 0.00 0.24 -0.87 121.76 129.07 3n31 s ALA 63 Ca 0.11 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3n31 s ALA 63 Cb -0.12 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 3n31 s ALA 63 CO 0.02 -0.04 -0.20 0.08 0.00 0.00 0.00 175.76 175.62 3n31 s VAL 64 N 0.79 2.31 -0.28 0.00 1.01 0.24 -0.71 120.40 123.75 3n31 s VAL 64 Ca 0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3n31 s VAL 64 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3n31 s VAL 64 CO 0.02 0.55 1.57 -0.62 0.00 0.00 0.00 175.10 176.62 3n31 s ASP 65 N 0.51 6.32 0.42 3.32 -1.08 -0.15 0.39 116.67 126.41 3n31 s ASP 65 Ca -0.13 1.37 0.28 0.00 -0.52 0.00 0.00 52.55 53.55 3n31 s ASP 65 Cb -0.17 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 3n31 s ASP 65 CO 0.05 -1.35 1.87 -0.37 0.52 0.00 0.00 175.17 175.89 3n31 h VAL 66 N 6.30 0.00 0.00 1.11 -1.51 -0.83 0.16 116.25 121.48 3n31 h VAL 66 Ca -0.32 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 3n31 h VAL 66 Cb 1.14 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3n31 h VAL 66 CO 1.03 0.00 -0.58 0.71 -1.23 0.00 0.00 177.57 177.49 3n31 h THR 67 N 0.00 0.00 0.00 7.19 1.35 -1.85 -3.40 112.91 116.20 3n31 h THR 67 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3n31 h THR 67 Cb 0.02 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3n31 h THR 67 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 3n31 n ASN 68 N -2.65 0.04 -2.22 5.36 0.23 -0.96 -4.61 115.26 110.46 3n31 n ASN 68 Ca 0.02 -1.01 -0.19 0.00 -0.53 0.00 0.00 54.58 52.87 3n31 n ASN 68 Cb 0.51 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.20 3n31 n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3n31 n VAL 69 N -0.00 -0.93 -3.31 3.53 0.31 0.51 -4.95 118.33 113.48 3n31 n VAL 69 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3n31 n VAL 69 Cb 0.32 -2.82 -0.08 0.00 -0.91 0.00 0.00 33.84 30.36 3n31 n VAL 69 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3n31 s TYR 70 N -2.97 3.31 -0.01 3.52 5.04 -1.19 -4.78 117.35 120.27 3n31 s TYR 70 Ca 0.00 0.61 -0.30 0.00 -2.44 0.00 0.00 57.07 54.94 3n31 s TYR 70 Cb -0.00 -2.62 -0.05 0.00 0.35 0.00 0.00 41.96 39.63 3n31 s TYR 70 CO 0.00 -0.16 1.37 0.42 -1.34 0.00 0.00 175.55 175.85 3n31 s ILE 71 N 1.84 3.78 -0.24 3.14 1.01 -1.26 -0.97 121.20 128.50 3n31 s ILE 71 Ca 0.20 1.16 0.06 0.00 0.00 0.00 0.00 60.65 62.07 3n31 s ILE 71 Cb -0.15 -3.75 -0.19 0.00 0.01 0.00 0.00 42.46 38.38 3n31 s ILE 71 CO 0.09 -0.00 -0.12 0.23 0.00 0.00 0.00 174.94 175.14 3n31 n MET 72 N 5.35 0.66 -3.09 2.79 2.81 0.11 -4.94 117.12 120.81 3n31 n MET 72 Ca 0.13 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3n31 n MET 72 Cb 0.44 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3n31 n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n31 n GLY 73 N 2.11 -1.03 3.63 3.03 0.00 -1.24 -1.73 105.19 109.95 3n31 n GLY 73 Ca -0.42 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 3n31 n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3n31 s TYR 74 N -3.00 -0.02 -0.07 1.61 1.13 -0.02 -0.59 117.35 116.39 3n31 s TYR 74 Ca 0.00 -0.35 0.04 0.00 -1.41 0.00 0.00 57.07 55.35 3n31 s TYR 74 Cb 0.00 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.29 3n31 s TYR 74 CO 0.00 -1.02 -0.19 -1.17 -2.51 0.00 0.00 175.55 170.66 3n31 s LEU 75 N -2.92 1.92 -0.19 -3.49 2.96 0.16 -0.77 118.68 116.35 3n31 s LEU 75 Ca 0.13 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3n31 s LEU 75 Cb -0.02 -1.14 0.05 0.00 0.50 0.00 0.00 46.19 45.58 3n31 s LEU 75 CO 0.03 0.13 -0.02 0.00 -1.32 0.00 0.00 176.35 175.17 3n31 s ALA 76 N 0.31 1.38 0.00 5.97 0.00 0.38 -1.42 121.76 128.39 3n31 s ALA 76 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3n31 s ALA 76 Cb -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3n31 s ALA 76 CO 0.05 -1.02 0.00 -0.11 0.00 0.00 0.00 175.76 174.69 3n31 n LEU 77 N 4.90 0.00 -0.80 0.00 7.94 -1.26 -1.42 117.00 126.36 3n31 n LEU 77 Ca -0.11 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.86 3n31 n LEU 77 Cb 0.47 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.61 3n31 n LEU 77 CO 0.15 0.00 0.67 0.35 -1.11 0.00 0.00 177.39 177.45 3n31 n THR 78 N 0.00 1.24 -4.79 1.96 -2.24 -1.26 -4.90 114.28 104.28 3n31 n THR 78 Ca 0.00 -1.14 -0.33 0.00 -2.27 0.00 0.00 64.05 60.31 3n31 n THR 78 Cb 0.00 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 3n31 n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n31 s THR 79 N -1.32 3.15 0.10 4.28 2.01 -0.51 -0.04 115.64 123.32 3n31 s THR 79 Ca 0.30 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.66 3n31 s THR 79 Cb 0.18 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 3n31 s THR 79 CO 0.17 0.56 0.21 -0.94 -0.69 0.00 0.00 174.62 173.93 3n31 s SER 80 N -0.21 6.17 -0.02 3.53 1.04 -0.74 -0.47 113.70 123.01 3n31 s SER 80 Ca 0.01 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.61 3n31 s SER 80 Cb -0.13 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.16 3n31 s SER 80 CO 0.03 0.12 -0.04 -0.31 0.98 0.00 0.00 173.24 174.02 3n31 s TYR 81 N -1.60 0.46 0.01 5.02 1.51 0.05 -0.52 117.35 122.28 3n31 s TYR 81 Ca 0.34 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.32 3n31 s TYR 81 Cb -0.12 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3n31 s TYR 81 CO 0.27 -0.07 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.54 3n31 s PHE 82 N 0.33 0.39 0.82 2.71 0.08 -0.75 -0.84 117.98 120.73 3n31 s PHE 82 Ca -0.04 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.64 3n31 s PHE 82 Cb -0.07 -0.25 0.09 0.00 -0.57 0.00 0.00 43.02 42.22 3n31 s PHE 82 CO -0.00 -0.05 1.20 1.19 -0.10 0.00 0.00 175.22 177.45 3n31 n PHE 83 N 2.38 1.25 -2.79 0.36 3.72 -0.71 -0.50 117.46 121.18 3n31 n PHE 83 Ca -0.17 0.41 -0.44 0.00 -0.05 0.00 0.00 57.45 57.20 3n31 n PHE 83 Cb 0.57 -2.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 3n31 n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3n31 n ASN 84 N -3.39 5.20 -3.56 4.37 4.05 0.20 -4.40 115.26 117.73 3n31 n ASN 84 Ca 0.13 -3.02 -0.15 0.00 0.45 0.00 0.00 54.58 51.99 3n31 n ASN 84 Cb 0.51 -1.54 -0.06 0.00 1.23 0.00 0.00 39.78 39.92 3n31 n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3n31 s GLU 85 N 1.16 1.03 0.16 1.20 -1.05 -1.26 -3.73 118.70 116.22 3n31 s GLU 85 Ca 0.42 -0.06 -0.15 0.00 -0.15 0.00 0.00 54.97 55.03 3n31 s GLU 85 Cb 0.01 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.21 3n31 s GLU 85 CO 0.00 -0.36 1.82 -1.35 0.95 0.00 0.00 175.26 176.33 3n31 h PRO 86 N 2.89 0.62 -0.96 -4.83 0.11 -1.99 0.24 132.00 128.09 3n31 h PRO 86 Ca -0.30 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.96 3n31 h PRO 86 Cb 1.19 -0.14 -0.11 0.00 0.11 0.00 0.00 31.00 32.06 3n31 h PRO 86 CO 0.40 0.42 0.55 0.00 -0.21 0.00 0.00 178.00 179.16 3n31 h ALA 87 N 1.16 1.56 0.04 -0.75 0.00 -1.98 1.20 119.26 120.48 3n31 h ALA 87 Ca 0.17 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 3n31 h ALA 87 Cb -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.70 3n31 h ALA 87 CO -0.04 -0.09 -1.08 0.00 0.00 0.00 0.00 179.25 178.05 3n31 h ALA 88 N 1.63 0.16 -0.64 0.00 0.00 -1.40 0.16 119.26 119.17 3n31 h ALA 88 Ca 0.55 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3n31 h ALA 88 Cb 0.86 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3n31 h ALA 88 CO -0.39 0.74 0.40 0.22 0.00 0.00 0.00 179.25 180.21 3n31 h ASP 89 N 0.31 0.66 -0.50 0.00 3.58 0.47 -0.21 116.42 120.72 3n31 h ASP 89 Ca -0.13 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.32 3n31 h ASP 89 Cb 1.73 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.61 3n31 h ASP 89 CO 0.20 0.46 0.33 0.25 -2.88 0.00 0.00 179.24 177.60 3n31 h LEU 90 N 0.79 0.56 -1.59 2.28 5.85 0.15 -2.60 115.31 120.75 3n31 h LEU 90 Ca 0.25 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.04 3n31 h LEU 90 Cb -0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3n31 h LEU 90 CO -0.09 0.40 0.40 0.00 -0.34 0.00 0.00 178.44 178.81 3n31 h ALA 91 N 1.19 1.93 0.00 1.25 0.00 0.13 -1.58 119.26 122.18 3n31 h ALA 91 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3n31 h ALA 91 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3n31 h ALA 91 CO -0.05 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3n31 n SER 92 N -4.47 0.00 0.23 0.00 3.41 -0.17 -0.86 113.62 111.75 3n31 n SER 92 Ca 0.09 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3n31 n SER 92 Cb 0.32 -0.32 0.33 0.00 -0.26 0.00 0.00 64.21 64.27 3n31 n SER 92 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3n31 h GLN 93 N 0.00 0.00 0.00 4.33 4.20 -1.31 -3.39 115.11 118.93 3n31 h GLN 93 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3n31 h GLN 93 Cb 0.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3n31 h GLN 93 CO 0.00 0.08 -1.55 0.66 -0.67 0.00 0.00 178.83 177.35 3n31 n TYR 94 N -3.14 0.00 -4.44 2.96 4.01 -0.04 -4.97 117.16 111.53 3n31 n TYR 94 Ca 0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.46 3n31 n TYR 94 Cb 0.48 -0.39 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 3n31 n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3n31 s VAL 95 N -2.19 3.27 -1.16 -0.72 -7.23 -0.56 -4.67 120.40 107.14 3n31 s VAL 95 Ca -0.08 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3n31 s VAL 95 Cb 0.03 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3n31 s VAL 95 CO 0.28 0.27 0.00 0.49 -0.31 0.00 0.00 175.10 175.83 3n31 n PHE 96 N 1.24 -0.46 0.27 2.82 3.72 -1.26 -4.72 117.46 119.07 3n31 n PHE 96 Ca -0.15 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.39 3n31 n PHE 96 Cb 0.52 -2.70 0.71 0.00 -0.94 0.00 0.00 39.48 37.07 3n31 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n31 h ARG 97 N 0.00 0.00 0.00 -1.08 2.47 -1.87 -1.98 114.38 111.93 3n31 h ARG 97 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 3n31 h ARG 97 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3n31 h ARG 97 CO 0.37 0.11 0.00 -1.13 0.56 0.00 0.00 179.97 179.87 3n31 n SER 98 N -3.40 0.41 -4.76 7.04 3.41 -1.26 -4.84 113.62 110.22 3n31 n SER 98 Ca -0.01 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 3n31 n SER 98 Cb 0.28 -0.69 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3n31 n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n31 n ALA 99 N -1.67 2.25 -0.31 7.33 0.00 -0.74 -4.92 120.51 122.46 3n31 n ALA 99 Ca 0.03 0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.83 3n31 n ALA 99 Cb 0.21 -2.40 0.20 0.00 0.00 0.00 0.00 19.45 17.45 3n31 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n31 h ARG 100 N 3.24 1.11 -4.06 0.00 3.08 -0.79 -3.45 114.38 113.51 3n31 h ARG 100 Ca -0.49 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.35 3n31 h ARG 100 Cb 1.24 -0.25 -0.12 0.00 0.08 0.00 0.00 29.97 30.93 3n31 h ARG 100 CO 0.67 0.73 -0.33 -0.98 -1.07 0.00 0.00 179.97 178.99 3n31 s ARG 101 N -5.96 1.41 -0.04 0.04 1.70 -1.16 -5.06 118.95 109.88 3n31 s ARG 101 Ca -0.12 -1.42 -0.00 0.00 -0.47 0.00 0.00 55.73 53.72 3n31 s ARG 101 Cb 0.19 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 3n31 s ARG 101 CO 0.80 -0.54 0.02 0.21 -1.08 0.00 0.00 175.30 174.71 3n31 s LYS 102 N -4.06 0.23 -0.11 3.89 2.20 -1.26 -1.79 119.74 118.83 3n31 s LYS 102 Ca 0.30 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 3n31 s LYS 102 Cb 0.03 -0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 35.81 3n31 s LYS 102 CO 0.10 -0.20 -0.16 0.42 -0.36 0.00 0.00 175.35 175.16 3n31 s ILE 103 N 1.37 2.83 -0.28 5.43 1.01 0.32 -4.97 121.20 126.92 3n31 s ILE 103 Ca -0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3n31 s ILE 103 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3n31 s ILE 103 CO -0.03 0.54 0.46 -0.89 0.00 0.00 0.00 174.94 175.02 3n31 s THR 104 N 0.22 5.10 0.61 2.92 2.01 -1.26 -1.80 115.64 123.44 3n31 s THR 104 Ca -0.10 0.69 -0.19 0.00 0.31 0.00 0.00 61.69 62.40 3n31 s THR 104 Cb -0.16 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3n31 s THR 104 CO 0.06 0.08 1.20 0.18 -0.69 0.00 0.00 174.62 175.45 3n31 n LEU 105 N 5.48 5.14 -2.69 4.42 4.77 0.35 -4.85 117.00 129.62 3n31 n LEU 105 Ca -0.06 0.86 -0.27 0.00 -0.03 0.00 0.00 56.01 56.51 3n31 n LEU 105 Cb 0.50 -1.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.00 3n31 n LEU 105 CO 0.40 -1.17 2.20 -0.81 -1.33 0.00 0.00 177.39 176.67 3n31 n PRO 106 N -1.38 2.96 -3.62 3.23 -0.04 -1.26 -3.50 135.00 131.39 3n31 n PRO 106 Ca 0.14 -2.01 -0.03 0.00 -0.04 0.00 0.00 63.50 61.55 3n31 n PRO 106 Cb 0.47 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3n31 n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n31 s TYR 107 N 0.34 -0.08 1.20 0.54 -0.85 -1.26 -5.01 117.35 112.21 3n31 s TYR 107 Ca 0.64 0.09 -0.20 0.00 -0.52 0.00 0.00 57.07 57.08 3n31 s TYR 107 Cb 0.28 0.50 0.29 0.00 0.38 0.00 0.00 41.96 43.41 3n31 s TYR 107 CO -0.08 -0.11 1.16 -1.13 -1.52 0.00 0.00 175.55 173.88 3n31 n SER 108 N 0.20 -1.65 -0.67 -0.18 3.41 -1.24 0.59 113.62 114.07 3n31 n SER 108 Ca 0.01 -1.25 0.12 0.00 -0.26 0.00 0.00 58.87 57.49 3n31 n SER 108 Cb 0.58 -1.02 0.12 0.00 -0.26 0.00 0.00 64.21 63.63 3n31 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n31 n GLY 109 N -4.66 0.39 3.82 5.00 0.00 -1.26 -4.32 105.19 104.15 3n31 n GLY 109 Ca 0.16 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 3n31 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n31 s ASN 110 N -2.23 6.06 0.26 1.61 2.20 -1.26 -4.83 114.94 116.75 3n31 s ASN 110 Ca 0.25 1.73 -0.03 0.00 -0.94 0.00 0.00 52.86 53.87 3n31 s ASN 110 Cb 0.19 -2.52 0.41 0.00 -2.00 0.00 0.00 41.25 37.33 3n31 s ASN 110 CO 0.43 -0.98 1.85 1.88 -2.94 0.00 0.00 177.10 177.35 3n31 h TYR 111 N 0.57 1.08 0.13 1.54 0.05 -1.99 -0.01 116.97 118.33 3n31 h TYR 111 Ca -0.47 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 3n31 h TYR 111 Cb 1.21 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.60 3n31 h TYR 111 CO 0.60 0.51 -0.06 1.49 -1.05 0.00 0.00 178.16 179.66 3n31 h GLU 112 N 1.03 -0.16 -0.76 4.88 4.81 -1.97 -0.87 114.58 121.53 3n31 h GLU 112 Ca 0.42 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 3n31 h GLU 112 Cb 0.26 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3n31 h GLU 112 CO -0.20 0.01 0.36 0.00 -0.73 0.00 0.00 179.01 178.44 3n31 h ARG 113 N -0.30 1.10 -0.76 1.92 3.08 -1.74 -1.85 114.38 115.83 3n31 h ARG 113 Ca -0.02 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.89 3n31 h ARG 113 Cb 0.24 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3n31 h ARG 113 CO 0.03 0.86 0.49 -0.07 -1.07 0.00 0.00 179.97 180.21 3n31 h LEU 114 N 1.07 0.84 -0.29 3.04 3.38 -0.91 -1.57 115.31 120.87 3n31 h LEU 114 Ca 0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3n31 h LEU 114 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3n31 h LEU 114 CO -0.03 0.59 0.02 1.56 0.09 0.00 0.00 178.44 180.67 3n31 h GLN 115 N 0.99 0.50 -0.47 1.13 4.20 -0.96 0.44 115.11 120.93 3n31 h GLN 115 Ca 0.29 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.89 3n31 h GLN 115 Cb -0.06 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 3n31 h GLN 115 CO -0.08 0.63 0.22 0.82 -0.67 0.00 0.00 178.83 179.75 3n31 h ILE 116 N 0.30 0.95 -0.42 2.54 2.04 -1.30 0.13 117.51 121.75 3n31 h ILE 116 Ca 0.08 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3n31 h ILE 116 Cb 0.40 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3n31 h ILE 116 CO 0.01 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.38 3n31 h ALA 117 N 1.26 0.55 0.00 1.87 0.00 -1.05 -2.66 119.26 119.22 3n31 h ALA 117 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3n31 h ALA 117 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3n31 h ALA 117 CO -0.15 0.19 -0.17 0.00 0.00 0.00 0.00 179.25 179.11 3n31 h ALA 118 N 0.99 0.98 0.00 0.00 0.00 0.25 -3.45 119.26 118.03 3n31 h ALA 118 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n31 h ALA 118 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3n31 h ALA 118 CO -0.01 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.86 3n31 n GLY 119 N 0.35 0.83 2.93 0.00 0.00 0.40 -4.89 105.19 104.80 3n31 n GLY 119 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3n31 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n31 s LYS 120 N -0.21 0.16 0.64 1.61 1.02 -1.09 -5.01 119.74 116.87 3n31 s LYS 120 Ca 0.00 -0.28 -0.15 0.00 0.02 0.00 0.00 55.97 55.56 3n31 s LYS 120 Cb 0.00 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 3n31 s LYS 120 CO 0.00 -0.01 1.08 -1.25 -0.92 0.00 0.00 175.35 174.25 3n31 s PRO 121 N -0.65 2.99 0.20 -1.68 0.04 -1.26 -4.53 135.00 130.12 3n31 s PRO 121 Ca -0.07 1.27 0.22 0.00 0.04 0.00 0.00 61.00 62.46 3n31 s PRO 121 Cb -0.04 -1.98 0.91 0.00 0.04 0.00 0.00 34.50 33.42 3n31 s PRO 121 CO -0.00 -1.08 1.67 2.89 0.04 0.00 0.00 177.00 180.52 3n31 n ARG 122 N -2.38 0.16 -0.32 4.56 1.85 -1.26 -1.16 116.66 118.11 3n31 n ARG 122 Ca 0.09 0.37 0.22 0.00 -1.00 0.00 0.00 57.85 57.53 3n31 n ARG 122 Cb 0.52 -1.79 0.50 0.00 -1.05 0.00 0.00 32.46 30.65 3n31 n ARG 122 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3n31 h GLU 123 N 0.00 0.40 -0.67 2.89 3.07 -1.92 -2.17 114.58 116.18 3n31 h GLU 123 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3n31 h GLU 123 Cb 0.37 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3n31 h GLU 123 CO 0.00 0.26 0.00 1.63 -1.40 0.00 0.00 179.01 179.50 3n31 n LYS 124 N -4.62 3.63 -3.88 2.33 5.02 -0.31 -4.64 118.16 115.70 3n31 n LYS 124 Ca 0.25 -2.83 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 3n31 n LYS 124 Cb 0.84 -1.87 -0.14 0.00 -0.02 0.00 0.00 35.03 33.85 3n31 n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3n31 s ILE 125 N -1.78 3.18 0.60 -0.18 1.01 -0.82 -4.99 121.20 118.22 3n31 s ILE 125 Ca 0.51 -1.19 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 3n31 s ILE 125 Cb 0.32 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 3n31 s ILE 125 CO 0.25 -0.03 1.31 -2.84 0.00 0.00 0.00 174.94 173.64 3n31 s PRO 126 N 1.32 2.84 0.32 2.79 0.02 -1.26 -4.35 135.00 136.68 3n31 s PRO 126 Ca -0.03 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3n31 s PRO 126 Cb -0.19 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 3n31 s PRO 126 CO -0.01 -1.39 0.09 0.96 -0.33 0.00 0.00 177.00 176.33 3n31 s ILE 127 N -1.37 0.82 -5.00 2.83 -4.36 -0.00 -4.79 121.20 109.32 3n31 s ILE 127 Ca 0.78 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3n31 s ILE 127 Cb -0.38 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.69 3n31 s ILE 127 CO 0.42 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.21 3n31 n GLY 128 N -0.66 -0.03 0.13 6.27 0.00 -1.26 -0.25 105.19 109.40 3n31 n GLY 128 Ca -0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3n31 n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n31 h LEU 129 N 0.00 0.36 -0.81 0.99 3.38 -1.35 -1.72 115.31 116.16 3n31 h LEU 129 Ca 0.00 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.62 3n31 h LEU 129 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3n31 h LEU 129 CO 0.00 0.64 0.53 -0.65 0.09 0.00 0.00 178.44 179.05 3n31 h PRO 130 N 0.06 1.02 -0.84 1.13 0.11 -1.75 -0.39 132.00 131.34 3n31 h PRO 130 Ca 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3n31 h PRO 130 Cb 0.49 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 3n31 h PRO 130 CO 0.02 0.68 0.54 0.00 -0.21 0.00 0.00 178.00 179.02 3n31 h ALA 131 N 1.32 1.36 -0.58 -0.75 0.00 -1.87 -1.55 119.26 117.18 3n31 h ALA 131 Ca 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3n31 h ALA 131 Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3n31 h ALA 131 CO -0.09 0.58 0.28 1.25 0.00 0.00 0.00 179.25 181.27 3n31 h LEU 132 N 1.15 0.76 -0.41 0.00 5.85 -0.68 -0.34 115.31 121.64 3n31 h LEU 132 Ca 0.31 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3n31 h LEU 132 Cb -0.10 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.67 3n31 h LEU 132 CO -0.06 0.67 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.92 3n31 h ASP 133 N 0.79 -0.19 -0.73 1.25 3.58 -0.26 0.45 116.42 121.31 3n31 h ASP 133 Ca 0.20 0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.85 3n31 h ASP 133 Cb 0.11 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.26 3n31 h ASP 133 CO -0.03 -0.06 0.36 0.74 -2.88 0.00 0.00 179.24 177.37 3n31 h THR 134 N 0.10 0.82 -0.10 2.25 2.02 -1.14 -1.43 112.91 115.44 3n31 h THR 134 Ca 0.20 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3n31 h THR 134 Cb 0.29 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3n31 h THR 134 CO -0.34 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 175.64 3n31 h ALA 135 N 1.45 0.13 -0.54 6.16 0.00 0.51 0.60 119.26 127.57 3n31 h ALA 135 Ca 0.36 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3n31 h ALA 135 Cb 0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3n31 h ALA 135 CO -0.29 -0.14 0.22 0.82 0.00 0.00 0.00 179.25 179.87 3n31 h ILE 136 N -0.14 0.85 -0.49 0.00 2.04 -0.81 -1.48 117.51 117.48 3n31 h ILE 136 Ca 0.02 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3n31 h ILE 136 Cb 0.42 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3n31 h ILE 136 CO 0.01 0.08 0.32 0.28 0.00 0.00 0.00 178.15 178.84 3n31 h SER 137 N 0.43 0.54 -0.91 1.72 0.02 -0.43 -2.61 113.55 112.30 3n31 h SER 137 Ca 0.26 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3n31 h SER 137 Cb 0.26 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3n31 h SER 137 CO -0.24 0.39 0.59 0.74 -1.14 0.00 0.00 176.83 177.18 3n31 h THR 138 N 0.65 1.24 0.00 -2.27 2.02 -0.43 -2.84 112.91 111.28 3n31 h THR 138 Ca 0.19 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3n31 h THR 138 Cb -0.05 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.27 3n31 h THR 138 CO -0.05 0.24 0.00 -0.07 0.37 0.00 0.00 175.52 176.00 3n31 h LEU 139 N 1.24 0.00 -1.66 2.58 3.38 -0.92 -2.79 115.31 117.14 3n31 h LEU 139 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3n31 h LEU 139 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3n31 h LEU 139 CO -0.07 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.35 3n31 h LEU 140 N 0.00 0.15 -7.88 1.67 3.38 -1.25 -3.41 115.31 107.96 3n31 h LEU 140 Ca 0.00 -0.02 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3n31 h LEU 140 Cb 0.69 -0.04 -0.35 0.00 0.09 0.00 0.00 40.66 41.06 3n31 h LEU 140 CO 0.00 0.22 -0.81 -1.00 0.09 0.00 0.00 178.44 176.94 3n31 s HIS 141 N -4.93 1.50 0.17 1.13 3.76 -1.05 -4.87 115.29 110.99 3n31 s HIS 141 Ca -0.05 -0.63 -0.32 0.00 -0.15 0.00 0.00 55.06 53.91 3n31 s HIS 141 Cb 0.16 -1.15 -0.11 0.00 1.11 0.00 0.00 32.58 32.59 3n31 s HIS 141 CO 0.71 -0.37 1.78 -0.47 -0.85 0.00 0.00 174.74 175.54 3n31 s TYR 142 N 1.05 2.52 -0.29 1.40 5.04 -1.26 -4.93 117.35 120.88 3n31 s TYR 142 Ca -0.07 0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 3n31 s TYR 142 Cb -0.15 -4.17 0.17 0.00 0.35 0.00 0.00 41.96 38.17 3n31 s TYR 142 CO -0.01 -4.64 0.56 0.34 -1.34 0.00 0.00 175.55 170.46 3n31 s ASP 143 N 1.95 -1.05 0.13 4.32 -1.08 -1.26 -5.07 116.67 114.61 3n31 s ASP 143 Ca 0.78 0.82 -0.08 0.00 -0.52 0.00 0.00 52.55 53.55 3n31 s ASP 143 Cb -0.48 1.97 -0.08 0.00 -1.46 0.00 0.00 42.92 42.87 3n31 s ASP 143 CO 0.34 -0.26 1.35 0.77 0.52 0.00 0.00 175.17 177.89 3n31 h SER 144 N 8.04 0.77 -0.10 -0.34 4.64 -1.98 0.24 113.55 124.83 3n31 h SER 144 Ca -0.22 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.58 3n31 h SER 144 Cb 1.15 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3n31 h SER 144 CO 0.25 1.29 0.03 0.74 -0.87 0.00 0.00 176.83 178.26 3n31 h THR 145 N 0.44 1.18 -0.58 2.95 2.02 -1.98 -2.16 112.91 114.79 3n31 h THR 145 Ca -0.05 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3n31 h THR 145 Cb 1.38 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3n31 h THR 145 CO 0.15 0.16 0.04 0.00 0.37 0.00 0.00 175.52 176.24 3n31 h ALA 146 N 0.83 0.99 0.00 6.16 0.00 -1.86 -2.94 119.26 122.44 3n31 h ALA 146 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3n31 h ALA 146 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3n31 h ALA 146 CO -0.00 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 3n31 h ALA 147 N 1.15 1.62 -0.38 0.00 0.00 -0.43 -1.42 119.26 119.79 3n31 h ALA 147 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3n31 h ALA 147 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3n31 h ALA 147 CO 0.02 0.23 0.05 0.00 0.00 0.00 0.00 179.25 179.55 3n31 h ALA 148 N 1.82 0.51 -0.23 0.00 0.00 -1.20 0.47 119.26 120.62 3n31 h ALA 148 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3n31 h ALA 148 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3n31 h ALA 148 CO 0.02 0.23 0.14 0.78 0.00 0.00 0.00 179.25 180.42 3n31 h GLY 149 N 0.48 0.35 1.12 0.00 0.00 -1.56 -1.19 103.07 102.26 3n31 h GLY 149 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3n31 h GLY 149 CO 0.01 0.14 0.45 0.00 0.00 0.00 0.00 176.54 177.14 3n31 h ALA 150 N 1.03 1.23 -0.44 3.60 0.00 -0.64 -1.47 119.26 122.58 3n31 h ALA 150 Ca 0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3n31 h ALA 150 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3n31 h ALA 150 CO -0.01 0.62 -0.11 -0.07 0.00 0.00 0.00 179.25 179.68 3n31 h LEU 151 N 1.16 0.78 -0.44 0.00 3.38 0.33 0.16 115.31 120.68 3n31 h LEU 151 Ca 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3n31 h LEU 151 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3n31 h LEU 151 CO -0.05 0.91 0.18 -0.07 0.09 0.00 0.00 178.44 179.51 3n31 h LEU 152 N 0.71 0.61 -0.74 1.67 3.38 -0.79 0.59 115.31 120.74 3n31 h LEU 152 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3n31 h LEU 152 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3n31 h LEU 152 CO 0.04 0.60 0.34 0.58 0.09 0.00 0.00 178.44 180.09 3n31 h VAL 153 N 0.57 1.24 -0.09 1.22 2.07 -1.12 -2.54 116.25 117.61 3n31 h VAL 153 Ca 0.15 -0.71 -0.18 0.00 0.82 0.00 0.00 66.70 66.78 3n31 h VAL 153 Cb 0.18 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3n31 h VAL 153 CO -0.01 0.29 -0.66 0.25 0.02 0.00 0.00 177.57 177.46 3n31 h LEU 154 N 1.04 0.73 -1.00 2.57 5.85 -0.11 -2.26 115.31 122.12 3n31 h LEU 154 Ca 0.25 -0.67 0.15 0.00 0.84 0.00 0.00 57.88 58.45 3n31 h LEU 154 Cb 0.14 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 3n31 h LEU 154 CO -0.03 1.29 0.62 0.40 -0.34 0.00 0.00 178.44 180.39 3n31 h ILE 155 N 0.23 0.84 0.00 4.05 2.04 0.19 -2.50 117.51 122.37 3n31 h ILE 155 Ca -0.06 -0.31 -0.20 0.00 1.00 0.00 0.00 64.86 65.29 3n31 h ILE 155 Cb 1.31 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3n31 h ILE 155 CO 0.13 0.17 -0.98 1.56 0.00 0.00 0.00 178.15 179.03 3n31 h GLN 156 N 0.91 0.00 0.00 2.37 4.20 -1.31 -1.58 115.11 119.70 3n31 h GLN 156 Ca 0.53 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.11 3n31 h GLN 156 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3n31 h GLN 156 CO -0.31 0.83 -0.85 1.79 -0.67 0.00 0.00 178.83 179.62 3n31 h THR 157 N 0.00 0.78 0.00 -0.54 1.35 -1.07 -2.97 112.91 110.46 3n31 h THR 157 Ca -0.04 -2.20 -0.03 0.00 -0.55 0.00 0.00 66.41 63.59 3n31 h THR 157 Cb 1.71 2.30 -0.00 0.00 -1.73 0.00 0.00 68.15 70.43 3n31 h THR 157 CO 0.11 0.44 -0.54 0.35 -0.25 0.00 0.00 175.52 175.63 3n31 n THR 158 N -3.11 1.17 0.02 6.82 -2.24 -0.97 -4.49 114.28 111.48 3n31 n THR 158 Ca -0.02 0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.87 3n31 n THR 158 Cb 0.78 -1.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.12 3n31 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n31 h ALA 159 N -0.32 -0.06 -0.05 6.98 0.00 -1.65 -2.17 119.26 121.98 3n31 h ALA 159 Ca -0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3n31 h ALA 159 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3n31 h ALA 159 CO -0.03 -0.32 -0.67 0.93 0.00 0.00 0.00 179.25 179.16 3n31 h GLU 160 N -0.49 0.24 -0.43 0.00 4.39 -1.41 -1.37 114.58 115.52 3n31 h GLU 160 Ca -0.01 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 3n31 h GLU 160 Cb 0.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3n31 h GLU 160 CO 0.01 0.82 0.10 0.00 -1.16 0.00 0.00 179.01 178.78 3n31 h ALA 161 N 1.14 0.56 -0.98 3.43 0.00 -1.63 -1.94 119.26 119.84 3n31 h ALA 161 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3n31 h ALA 161 Cb 1.20 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3n31 h ALA 161 CO 0.10 0.25 0.64 0.00 0.00 0.00 0.00 179.25 180.24 3n31 h ALA 162 N 0.96 1.42 0.00 0.00 0.00 -1.15 -3.06 119.26 117.44 3n31 h ALA 162 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3n31 h ALA 162 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3n31 h ALA 162 CO 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 3n31 h ARG 163 N 1.15 0.00 -3.03 0.00 3.08 -0.91 -3.41 114.38 111.26 3n31 h ARG 163 Ca 0.42 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.22 3n31 h ARG 163 Cb 0.16 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.87 3n31 h ARG 163 CO -0.16 0.24 -0.58 -0.06 -1.07 0.00 0.00 179.97 178.34 3n31 s PHE 164 N -3.44 -0.27 0.34 3.04 0.08 -0.76 -1.18 117.98 115.79 3n31 s PHE 164 Ca 0.02 0.73 0.03 0.00 0.12 0.00 0.00 56.93 57.84 3n31 s PHE 164 Cb 0.09 -0.12 0.65 0.00 -0.57 0.00 0.00 43.02 43.06 3n31 s PHE 164 CO 0.66 -0.28 1.97 -0.22 -0.10 0.00 0.00 175.22 177.25 3n31 h LYS 165 N 8.02 0.84 -0.88 0.44 3.64 -0.21 -1.44 116.57 126.99 3n31 h LYS 165 Ca -0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3n31 h LYS 165 Cb 1.12 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 3n31 h LYS 165 CO 0.21 0.55 0.52 -0.92 -2.27 0.00 0.00 179.45 177.55 3n31 h TYR 166 N 0.86 1.16 -0.00 1.91 3.20 -1.90 -0.38 116.97 121.83 3n31 h TYR 166 Ca 0.30 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.96 3n31 h TYR 166 Cb 0.10 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3n31 h TYR 166 CO -0.00 0.78 -0.87 0.82 -1.64 0.00 0.00 178.16 177.25 3n31 h ILE 167 N 1.21 1.47 -0.88 1.81 2.04 -1.59 0.87 117.51 122.44 3n31 h ILE 167 Ca 0.31 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3n31 h ILE 167 Cb -0.04 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3n31 h ILE 167 CO -0.06 0.74 0.56 -0.08 0.00 0.00 0.00 178.15 179.32 3n31 h GLU 168 N 0.14 1.18 -0.23 2.37 4.81 -0.88 -1.68 114.58 120.28 3n31 h GLU 168 Ca -0.05 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3n31 h GLU 168 Cb 1.49 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3n31 h GLU 168 CO 0.14 0.80 -0.21 1.96 -0.73 0.00 0.00 179.01 180.97 3n31 h GLN 169 N 1.20 0.54 -0.97 1.92 4.20 -0.64 -1.00 115.11 120.37 3n31 h GLN 169 Ca 0.32 -0.28 0.32 0.00 0.06 0.00 0.00 58.65 59.07 3n31 h GLN 169 Cb -0.10 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.52 3n31 h GLN 169 CO -0.07 0.86 0.38 1.96 -0.67 0.00 0.00 178.83 181.30 3n31 h GLN 170 N 0.24 0.15 0.14 1.46 1.08 -0.45 -0.03 115.11 117.69 3n31 h GLN 170 Ca 0.04 -0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 56.93 3n31 h GLN 170 Cb 0.76 -0.03 0.03 0.00 -0.05 0.00 0.00 27.48 28.18 3n31 h GLN 170 CO 0.05 0.10 -1.27 0.82 -0.95 0.00 0.00 178.83 177.58 3n31 h ILE 171 N 0.15 1.33 -0.72 2.54 1.08 -0.87 -2.84 117.51 118.18 3n31 h ILE 171 Ca 0.70 -2.62 0.02 0.00 -0.39 0.00 0.00 64.86 62.57 3n31 h ILE 171 Cb 1.62 2.79 -0.04 0.00 -3.07 0.00 0.00 36.82 38.12 3n31 h ILE 171 CO -0.72 0.79 0.47 1.56 -0.69 0.00 0.00 178.15 179.56 3n31 h GLN 172 N 0.21 0.88 0.00 2.37 4.20 -0.55 0.41 115.11 122.63 3n31 h GLN 172 Ca -0.19 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3n31 h GLN 172 Cb 1.96 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 3n31 h GLN 172 CO 0.24 0.59 -0.18 0.93 -0.67 0.00 0.00 178.83 179.73 3n31 h GLU 173 N 0.91 0.00 -0.87 1.46 5.08 -0.80 -2.87 114.58 117.49 3n31 h GLU 173 Ca 0.28 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.06 3n31 h GLU 173 Cb -0.01 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.93 3n31 h GLU 173 CO -0.07 0.18 0.35 0.54 -1.00 0.00 0.00 179.01 179.01 3n31 n ARG 174 N -3.70 2.76 0.14 2.33 1.74 0.14 -4.62 116.66 115.45 3n31 n ARG 174 Ca -0.02 -3.45 -0.00 0.00 -0.77 0.00 0.00 57.85 53.61 3n31 n ARG 174 Cb 0.30 -2.22 0.25 0.00 -1.02 0.00 0.00 32.46 29.77 3n31 n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n31 h ALA 175 N 1.81 1.17 0.00 7.54 0.00 -1.22 -0.86 119.26 127.70 3n31 h ALA 175 Ca 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3n31 h ALA 175 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3n31 h ALA 175 CO 1.21 0.60 0.00 0.66 0.00 0.00 0.00 179.25 181.72 3n31 n TYR 176 N -3.98 0.00 -3.67 0.00 4.01 -1.26 -4.16 117.16 108.10 3n31 n TYR 176 Ca -0.02 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 3n31 n TYR 176 Cb 0.50 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 3n31 n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3n31 s ARG 177 N -0.04 0.21 0.62 -0.72 3.52 -1.25 -4.92 118.95 116.39 3n31 s ARG 177 Ca 0.00 0.82 -0.16 0.00 -0.13 0.00 0.00 55.73 56.26 3n31 s ARG 177 Cb 0.00 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 3n31 s ARG 177 CO 0.00 -0.26 1.10 -0.51 -0.81 0.00 0.00 175.30 174.82 3n31 s ASP 178 N 2.35 5.36 -0.17 -2.12 1.01 -1.26 -4.33 116.67 117.51 3n31 s ASP 178 Ca -0.01 2.00 -0.23 0.00 0.71 0.00 0.00 52.55 55.02 3n31 s ASP 178 Cb -0.12 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.32 3n31 s ASP 178 CO -0.10 -1.46 0.61 -0.70 0.21 0.00 0.00 175.17 173.73 3n31 s GLU 179 N -3.93 0.80 0.61 8.23 2.12 0.66 -4.84 118.70 122.35 3n31 s GLU 179 Ca 0.67 0.64 -0.18 0.00 0.36 0.00 0.00 54.97 56.47 3n31 s GLU 179 Cb -0.20 0.38 -0.06 0.00 0.26 0.00 0.00 34.13 34.51 3n31 s GLU 179 CO 0.38 -0.15 0.71 1.33 -0.54 0.00 0.00 175.26 176.98 3n31 n VAL 180 N 2.20 2.80 -2.18 3.70 0.24 -1.26 -0.82 118.33 123.00 3n31 n VAL 180 Ca -0.16 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.34 61.29 3n31 n VAL 180 Cb 0.56 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3n31 n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3n31 s PRO 181 N -2.50 3.59 0.86 7.34 0.04 -1.26 -4.78 135.00 138.28 3n31 s PRO 181 Ca 0.72 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 3n31 s PRO 181 Cb -0.41 -2.31 0.11 0.00 0.04 0.00 0.00 34.50 31.92 3n31 s PRO 181 CO 0.52 -0.71 1.16 -1.54 0.04 0.00 0.00 177.00 176.47 3n31 s SER 182 N -1.37 3.38 0.54 6.66 1.04 -1.26 -4.84 113.70 117.85 3n31 s SER 182 Ca 0.66 2.20 0.23 0.00 0.48 0.00 0.00 55.95 59.53 3n31 s SER 182 Cb -0.30 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 64.77 3n31 s SER 182 CO 0.35 -2.80 2.17 0.77 0.98 0.00 0.00 173.24 174.71 3n31 h SER 183 N -1.42 0.00 -0.17 7.02 4.64 -1.93 -2.14 113.55 119.56 3n31 h SER 183 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3n31 h SER 183 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3n31 h SER 183 CO 0.44 0.04 -0.00 0.00 -0.87 0.00 0.00 176.83 176.44 3n31 h ALA 184 N 1.96 0.22 -0.51 5.18 0.00 -1.79 0.25 119.26 124.58 3n31 h ALA 184 Ca -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3n31 h ALA 184 Cb 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3n31 h ALA 184 CO 0.00 -0.07 0.05 1.15 0.00 0.00 0.00 179.25 180.39 3n31 h THR 185 N 0.04 0.65 -0.61 0.00 2.02 -1.73 0.35 112.91 113.64 3n31 h THR 185 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3n31 h THR 185 Cb 0.38 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3n31 h THR 185 CO 0.01 0.03 0.36 0.40 0.37 0.00 0.00 175.52 176.69 3n31 h ILE 186 N 0.18 1.18 -0.61 3.11 1.08 -1.11 -0.95 117.51 120.38 3n31 h ILE 186 Ca 0.26 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3n31 h ILE 186 Cb 0.37 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3n31 h ILE 186 CO -0.38 0.19 0.39 -1.28 -0.69 0.00 0.00 178.15 176.39 3n31 h SER 187 N 0.82 0.71 -0.41 1.72 0.87 0.28 -1.95 113.55 115.58 3n31 h SER 187 Ca 0.22 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3n31 h SER 187 Cb -0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3n31 h SER 187 CO -0.04 0.53 0.06 -0.07 -0.53 0.00 0.00 176.83 176.78 3n31 h LEU 188 N 0.82 0.66 -0.58 2.23 3.38 -0.53 -1.20 115.31 120.10 3n31 h LEU 188 Ca 0.22 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3n31 h LEU 188 Cb -0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3n31 h LEU 188 CO -0.05 0.76 0.33 -0.33 0.09 0.00 0.00 178.44 179.25 3n31 h GLU 189 N 0.54 0.63 0.00 1.13 5.08 -0.94 -1.51 114.58 119.51 3n31 h GLU 189 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3n31 h GLU 189 Cb 0.39 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3n31 h GLU 189 CO 0.01 0.41 0.00 -0.91 -1.00 0.00 0.00 179.01 177.52 3n31 h ASN 190 N 0.65 0.00 -0.05 1.42 2.35 -1.21 -3.26 115.58 115.47 3n31 h ASN 190 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3n31 h ASN 190 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3n31 h ASN 190 CO -0.13 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.45 3n31 n SER 191 N -2.60 2.55 0.22 5.81 7.64 -0.47 -4.74 113.62 122.03 3n31 n SER 191 Ca 0.02 -1.76 -0.15 0.00 1.01 0.00 0.00 58.87 57.99 3n31 n SER 191 Cb 0.31 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 3n31 n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3n31 h TRP 192 N 3.49 -0.79 -0.34 1.43 7.01 -1.48 0.27 115.95 125.55 3n31 h TRP 192 Ca 0.00 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 3n31 h TRP 192 Cb 0.75 0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 28.02 3n31 h TRP 192 CO 0.02 -0.43 -0.40 0.77 -2.79 0.00 0.00 178.44 175.61 3n31 h SER 193 N -0.66 -1.30 -0.62 2.65 0.02 -1.86 0.22 113.55 112.00 3n31 h SER 193 Ca -0.03 0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 3n31 h SER 193 Cb 0.58 0.57 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 3n31 h SER 193 CO -0.02 -0.37 -0.41 1.23 -1.14 0.00 0.00 176.83 176.12 3n31 h GLY 194 N -0.34 -0.35 0.82 -3.77 0.00 -1.77 0.13 103.07 97.79 3n31 h GLY 194 Ca 0.13 0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.97 3n31 h GLY 194 CO -0.52 -0.17 0.01 1.41 0.00 0.00 0.00 176.54 177.27 3n31 h LEU 195 N -0.19 0.31 -0.70 3.11 3.38 -0.18 -1.18 115.31 119.86 3n31 h LEU 195 Ca 0.20 -0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.04 3n31 h LEU 195 Cb 0.56 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3n31 h LEU 195 CO -0.72 0.52 0.10 0.28 0.09 0.00 0.00 178.44 178.72 3n31 h SER 196 N 0.09 -0.12 0.19 -0.43 0.02 -0.36 0.11 113.55 113.05 3n31 h SER 196 Ca 0.05 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3n31 h SER 196 Cb 0.35 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3n31 h SER 196 CO 0.01 -0.08 -0.09 0.50 -1.14 0.00 0.00 176.83 176.02 3n31 h LYS 197 N 0.20 -0.25 -0.04 3.45 3.64 -0.43 -2.84 116.57 120.30 3n31 h LYS 197 Ca 0.39 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.69 3n31 h LYS 197 Cb 0.66 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3n31 h LYS 197 CO -0.54 -0.04 -0.42 1.96 -2.27 0.00 0.00 179.45 178.14 3n31 h GLN 198 N -0.42 0.09 -0.32 1.90 1.08 -0.84 0.24 115.11 116.84 3n31 h GLN 198 Ca -0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3n31 h GLN 198 Cb 0.32 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3n31 h GLN 198 CO 0.04 0.50 0.20 0.82 -0.95 0.00 0.00 178.83 179.44 3n31 h ILE 199 N 0.07 1.10 -0.37 2.54 2.04 -0.83 0.03 117.51 122.09 3n31 h ILE 199 Ca 0.00 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3n31 h ILE 199 Cb 0.78 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3n31 h ILE 199 CO 0.06 0.10 -0.04 1.56 0.00 0.00 0.00 178.15 179.83 3n31 h GLN 200 N 0.42 0.68 -0.95 2.37 4.20 -1.12 -2.95 115.11 117.76 3n31 h GLN 200 Ca 0.12 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3n31 h GLN 200 Cb -0.01 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3n31 h GLN 200 CO -0.02 0.81 0.63 -0.07 -0.67 0.00 0.00 178.83 179.50 3n31 h LEU 201 N 0.49 1.09 -1.59 1.46 4.07 -0.91 -2.28 115.31 117.64 3n31 h LEU 201 Ca 0.10 -0.03 0.27 0.00 0.08 0.00 0.00 57.88 58.30 3n31 h LEU 201 Cb 0.52 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.92 3n31 h LEU 201 CO 0.03 0.79 0.69 0.00 -1.08 0.00 0.00 178.44 178.87 3n31 h ALA 202 N 1.35 2.47 -2.07 1.53 0.00 -0.80 -3.25 119.26 118.48 3n31 h ALA 202 Ca 0.35 0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.72 3n31 h ALA 202 Cb -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3n31 h ALA 202 CO -0.08 -0.82 1.04 -0.65 0.00 0.00 0.00 179.25 178.74 3n31 s GLN 203 N -5.31 3.97 0.00 0.00 -0.21 -0.86 -0.60 119.66 116.65 3n31 s GLN 203 Ca -0.07 1.63 0.00 0.00 0.02 0.00 0.00 55.36 56.94 3n31 s GLN 203 Cb 0.24 -3.93 0.00 0.00 1.00 0.00 0.00 33.01 30.32 3n31 s GLN 203 CO 0.79 -1.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.31 3n31 n GLY 204 N 4.28 1.07 0.97 3.09 0.00 -1.26 -4.87 105.19 108.47 3n31 n GLY 204 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3n31 n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3n31 n ASN 205 N 0.00 1.30 -3.39 1.61 4.05 0.23 -4.99 115.26 114.08 3n31 n ASN 205 Ca 0.00 -2.85 -0.22 0.00 0.45 0.00 0.00 54.58 51.96 3n31 n ASN 205 Cb 0.00 -0.39 0.08 0.00 1.23 0.00 0.00 39.78 40.69 3n31 n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3n31 n ASN 206 N -0.32 -5.91 -0.01 1.20 3.02 -1.03 -1.89 115.26 110.31 3n31 n ASN 206 Ca 0.11 -0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3n31 n ASN 206 Cb 0.90 -4.75 -0.00 0.00 -0.61 0.00 0.00 39.78 35.32 3n31 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n31 n GLY 207 N -1.88 0.20 3.78 7.41 0.00 -0.44 -4.99 105.19 109.28 3n31 n GLY 207 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3n31 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n31 s VAL 208 N -1.37 5.27 0.21 1.61 1.01 -0.79 -1.46 120.40 124.88 3n31 s VAL 208 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3n31 s VAL 208 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 3n31 s VAL 208 CO 0.00 0.48 1.33 -0.36 0.00 0.00 0.00 175.10 176.55 3n31 s PHE 209 N -0.21 3.21 0.22 5.22 0.40 0.16 -3.98 117.98 123.01 3n31 s PHE 209 Ca 0.18 1.20 -0.08 0.00 -0.60 0.00 0.00 56.93 57.63 3n31 s PHE 209 Cb -0.14 -3.64 0.29 0.00 0.51 0.00 0.00 43.02 40.05 3n31 s PHE 209 CO 0.06 -2.00 1.79 0.00 0.70 0.00 0.00 175.22 175.77 3n31 h ARG 210 N 5.22 0.59 -3.98 0.44 2.47 -1.87 -3.42 114.38 113.82 3n31 h ARG 210 Ca -0.45 -0.04 -0.42 0.00 -1.26 0.00 0.00 59.98 57.82 3n31 h ARG 210 Cb 1.22 -0.13 -0.35 0.00 -1.65 0.00 0.00 29.97 29.06 3n31 h ARG 210 CO 0.77 0.39 -0.77 0.99 0.56 0.00 0.00 179.97 181.91 3n31 s THR 211 N -6.08 0.53 0.70 2.04 2.01 -1.26 -5.15 115.64 108.43 3n31 s THR 211 Ca -0.13 -0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 3n31 s THR 211 Cb 0.17 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.13 3n31 s THR 211 CO 0.76 0.24 1.19 -2.84 -0.69 0.00 0.00 174.62 173.28 3n31 s PRO 212 N 1.11 2.37 -0.23 4.92 0.02 -1.26 -4.95 135.00 136.98 3n31 s PRO 212 Ca -0.08 1.72 -0.07 0.00 0.02 0.00 0.00 61.00 62.59 3n31 s PRO 212 Cb -0.14 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3n31 s PRO 212 CO -0.01 -1.65 0.07 0.99 -0.33 0.00 0.00 177.00 176.07 3n31 s THR 213 N -1.97 4.43 -0.18 0.99 2.01 0.31 -4.91 115.64 116.32 3n31 s THR 213 Ca 0.74 -0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 3n31 s THR 213 Cb -0.28 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3n31 s THR 213 CO 0.43 0.36 0.61 -0.69 -0.69 0.00 0.00 174.62 174.64 3n31 s VAL 214 N 1.34 5.04 0.35 3.82 1.01 -1.26 0.16 120.40 130.87 3n31 s VAL 214 Ca 0.05 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.28 3n31 s VAL 214 Cb -0.15 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3n31 s VAL 214 CO 0.04 0.15 -0.07 -0.76 0.00 0.00 0.00 175.10 174.45 3n31 s LEU 215 N 1.70 2.73 -0.13 3.92 1.43 0.13 -4.96 118.68 123.50 3n31 s LEU 215 Ca 0.29 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 3n31 s LEU 215 Cb -0.16 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 3n31 s LEU 215 CO 0.11 -0.28 0.12 -0.69 0.23 0.00 0.00 176.35 175.85 3n31 s VAL 216 N -2.69 5.37 0.61 -1.59 1.01 -1.26 0.24 120.40 122.09 3n31 s VAL 216 Ca 0.33 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3n31 s VAL 216 Cb 0.04 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.17 3n31 s VAL 216 CO 0.16 0.60 0.84 1.51 0.00 0.00 0.00 175.10 178.21 3n31 s ASP 217 N -0.86 4.90 0.14 3.32 1.47 -0.85 -4.33 116.67 120.45 3n31 s ASP 217 Ca 0.14 -0.50 -0.30 0.00 1.18 0.00 0.00 52.55 53.08 3n31 s ASP 217 Cb -0.12 -0.10 -0.05 0.00 -0.34 0.00 0.00 42.92 42.31 3n31 s ASP 217 CO 0.03 -1.45 1.57 0.28 0.68 0.00 0.00 175.17 176.28 3n31 h SER 218 N -0.06 -1.53 0.00 2.11 0.02 -1.97 -0.62 113.55 111.51 3n31 h SER 218 Ca -0.35 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3n31 h SER 218 Cb 1.28 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.46 3n31 h SER 218 CO 0.43 -0.41 0.14 0.11 -1.14 0.00 0.00 176.83 175.96 3n31 h LYS 219 N -0.42 0.00 0.00 3.45 1.57 -2.04 -3.47 116.57 115.66 3n31 h LYS 219 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3n31 h LYS 219 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3n31 h LYS 219 CO -0.52 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.77 3n31 n GLY 220 N -1.26 0.88 3.64 3.86 0.00 -0.24 -5.12 105.19 106.95 3n31 n GLY 220 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3n31 n GLY 220 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3n31 s ASN 221 N -1.74 4.65 0.70 1.61 2.47 -1.26 -4.75 114.94 116.61 3n31 s ASN 221 Ca 0.00 -0.42 -0.16 0.00 0.42 0.00 0.00 52.86 52.69 3n31 s ASN 221 Cb 0.00 -0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 38.83 3n31 s ASN 221 CO 0.00 0.10 0.85 -1.14 -3.72 0.00 0.00 177.10 173.19 3n31 n ARG 222 N 0.00 0.52 -3.74 0.43 0.63 -1.26 -2.01 116.66 111.23 3n31 n ARG 222 Ca -0.10 0.23 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 3n31 n ARG 222 Cb 0.55 -2.10 -0.10 0.00 0.45 0.00 0.00 32.46 31.26 3n31 n ARG 222 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3n31 s VAL 223 N -1.78 0.01 -0.18 5.15 0.11 0.14 -4.82 120.40 119.02 3n31 s VAL 223 Ca 0.72 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.67 3n31 s VAL 223 Cb -0.36 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 3n31 s VAL 223 CO 0.51 -0.02 0.02 -1.58 -3.33 0.00 0.00 175.10 170.70 3n31 s GLN 224 N 0.04 3.79 -0.21 1.54 0.74 -1.26 -0.69 119.66 123.61 3n31 s GLN 224 Ca -0.01 -0.44 -0.07 0.00 0.05 0.00 0.00 55.36 54.88 3n31 s GLN 224 Cb -0.03 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 3n31 s GLN 224 CO 0.01 0.17 0.06 0.42 -0.55 0.00 0.00 175.29 175.41 3n31 s ILE 225 N 0.61 4.60 0.00 -2.34 -1.09 0.12 -4.93 121.20 118.16 3n31 s ILE 225 Ca 0.01 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3n31 s ILE 225 Cb -0.14 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3n31 s ILE 225 CO 0.02 0.41 0.00 0.35 -1.23 0.00 0.00 174.94 174.49 3n31 n THR 226 N 4.06 0.00 -3.90 2.92 -2.24 -1.26 -0.53 114.28 113.32 3n31 n THR 226 Ca -0.16 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 3n31 n THR 226 Cb 0.52 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3n31 n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n31 s ASN 227 N -0.89 0.39 0.00 3.42 4.22 -1.26 0.39 114.94 121.21 3n31 s ASN 227 Ca 0.00 -1.32 0.28 0.00 -2.14 0.00 0.00 52.86 49.68 3n31 s ASN 227 Cb 0.00 0.80 1.09 0.00 1.28 0.00 0.00 41.25 44.42 3n31 s ASN 227 CO 0.00 -1.59 1.76 1.33 -2.04 0.00 0.00 177.10 176.57 3n31 n VAL 228 N -0.56 0.00 0.50 3.54 0.24 -0.53 -3.33 118.33 118.19 3n31 n VAL 228 Ca -0.05 -0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.21 3n31 n VAL 228 Cb 0.60 0.29 0.33 0.00 -1.47 0.00 0.00 33.84 33.59 3n31 n VAL 228 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3n31 h THR 229 N 1.57 0.00 -3.58 3.34 1.35 -1.98 -3.37 112.91 110.25 3n31 h THR 229 Ca 0.00 -0.64 -0.55 0.00 -0.55 0.00 0.00 66.41 64.67 3n31 h THR 229 Cb 0.43 1.64 0.11 0.00 -1.73 0.00 0.00 68.15 68.60 3n31 h THR 229 CO 0.00 0.00 0.69 -0.24 -0.25 0.00 0.00 175.52 175.72 3n31 n SER 230 N -2.53 3.40 -0.21 5.36 2.88 -1.21 -4.76 113.62 116.56 3n31 n SER 230 Ca 0.05 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 3n31 n SER 230 Cb 0.46 -1.56 0.09 0.00 -0.75 0.00 0.00 64.21 62.45 3n31 n SER 230 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3n31 h ASN 231 N 3.09 -0.38 -0.84 -3.46 2.35 -1.92 0.12 115.58 114.54 3n31 h ASN 231 Ca -0.48 0.17 0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3n31 h ASN 231 Cb 1.26 0.31 -0.05 0.00 0.05 0.00 0.00 38.32 39.89 3n31 h ASN 231 CO 0.66 -0.15 0.58 1.62 -1.65 0.00 0.00 177.43 178.49 3n31 h VAL 232 N 0.07 0.64 0.23 2.81 3.04 -1.95 0.28 116.25 121.37 3n31 h VAL 232 Ca 0.32 -0.07 -0.34 0.00 -1.01 0.00 0.00 66.70 65.60 3n31 h VAL 232 Cb 0.51 0.43 0.03 0.00 -2.01 0.00 0.00 31.29 30.25 3n31 h VAL 232 CO -0.57 0.04 -1.56 0.58 -1.01 0.00 0.00 177.57 175.05 3n31 h VAL 233 N 0.19 1.16 0.06 1.51 2.07 -1.10 -0.19 116.25 119.95 3n31 h VAL 233 Ca 0.42 -2.62 -0.25 0.00 0.82 0.00 0.00 66.70 65.07 3n31 h VAL 233 Cb 1.34 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 34.04 3n31 h VAL 233 CO -0.09 0.82 -1.18 0.71 0.02 0.00 0.00 177.57 177.86 3n31 h THR 234 N 0.11 1.54 0.00 2.57 1.35 0.16 -3.41 112.91 115.23 3n31 h THR 234 Ca -0.29 -3.19 0.00 0.00 -0.55 0.00 0.00 66.41 62.38 3n31 h THR 234 Cb 2.13 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 71.41 3n31 h THR 234 CO 0.24 0.91 -0.85 -1.20 -0.25 0.00 0.00 175.52 174.36 3n31 n SER 235 N -3.42 3.73 -0.08 5.36 7.64 0.86 -4.99 113.62 122.71 3n31 n SER 235 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 3n31 n SER 235 Cb 0.99 0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 64.31 3n31 n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3n31 n ASN 236 N -2.13 1.83 -4.77 6.43 2.85 -1.02 -4.70 115.26 113.75 3n31 n ASN 236 Ca 0.00 0.56 -0.40 0.00 -0.11 0.00 0.00 54.58 54.63 3n31 n ASN 236 Cb 0.42 -0.89 -0.03 0.00 1.24 0.00 0.00 39.78 40.52 3n31 n ASN 236 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3n31 s ILE 237 N -2.30 3.05 0.00 -1.44 2.07 -0.10 0.43 121.20 122.90 3n31 s ILE 237 Ca -0.20 1.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 3n31 s ILE 237 Cb 0.04 -3.61 0.00 0.00 0.13 0.00 0.00 42.46 39.01 3n31 s ILE 237 CO 0.34 0.20 0.00 0.00 -1.91 0.00 0.00 174.94 173.57 3n31 n GLN 238 N 0.67 6.19 -3.74 3.50 1.13 -0.33 -4.88 117.38 119.93 3n31 n GLN 238 Ca 0.01 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.94 3n31 n GLN 238 Cb 0.44 -0.48 -0.11 0.00 0.11 0.00 0.00 30.24 30.20 3n31 n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3n31 s LEU 239 N -1.88 0.47 -0.17 1.08 1.43 -1.26 -4.11 118.68 114.26 3n31 s LEU 239 Ca 0.00 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3n31 s LEU 239 Cb 0.00 1.27 -0.00 0.00 0.03 0.00 0.00 46.19 47.48 3n31 s LEU 239 CO 0.00 -0.14 -0.13 -0.76 0.23 0.00 0.00 176.35 175.55 3n31 s LEU 240 N 0.41 2.59 0.12 1.79 1.43 -0.67 -4.92 118.68 119.43 3n31 s LEU 240 Ca -0.02 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 3n31 s LEU 240 Cb -0.04 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3n31 s LEU 240 CO -0.02 0.07 1.51 -0.22 0.23 0.00 0.00 176.35 177.93 3n31 s LEU 241 N 0.91 4.37 0.25 1.79 2.96 -1.26 -0.68 118.68 127.01 3n31 s LEU 241 Ca -0.03 2.47 -0.30 0.00 -0.22 0.00 0.00 54.13 56.05 3n31 s LEU 241 Cb -0.15 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 3n31 s LEU 241 CO -0.01 -0.77 1.34 0.21 -1.32 0.00 0.00 176.35 175.80 3n31 s ASN 242 N 1.39 6.80 0.59 3.68 3.84 -1.25 -4.50 114.94 125.49 3n31 s ASN 242 Ca 0.69 2.55 0.39 0.00 0.21 0.00 0.00 52.86 56.69 3n31 s ASN 242 Cb -0.40 -2.62 1.96 0.00 -0.55 0.00 0.00 41.25 39.63 3n31 s ASN 242 CO 0.31 -0.57 2.18 0.71 -2.79 0.00 0.00 177.10 176.93 3n31 h THR 243 N 3.50 0.00 0.00 -5.21 1.35 -1.91 0.27 112.91 110.91 3n31 h THR 243 Ca -0.46 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3n31 h THR 243 Cb 1.22 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3n31 h THR 243 CO 0.74 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 176.11 3n31 h LYS 244 N 0.00 0.00 -0.73 4.72 1.57 -1.96 -1.92 116.57 118.26 3n31 h LYS 244 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3n31 h LYS 244 Cb 0.18 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.36 3n31 h LYS 244 CO 0.00 0.02 0.27 0.09 -0.57 0.00 0.00 179.45 179.26 3n31 n ASN 245 N -3.96 4.68 0.00 0.86 3.02 0.09 -5.11 115.26 114.84 3n31 n ASN 245 Ca -0.03 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3n31 n ASN 245 Cb 0.10 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 3n31 n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26