#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 1.52 0.26 1.20 3.01 -1.26 -4.98 119.74 119.50 1c89 s LYS 2 Ca 0.00 0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 54.84 1c89 s LYS 2 Cb 0.00 -1.89 -0.09 0.00 -1.01 0.00 0.00 37.83 34.83 1c89 s LYS 2 CO 0.00 -1.91 1.09 0.00 0.51 0.00 0.00 175.35 175.03 1c89 s ALA 3 N -3.45 3.40 0.37 5.17 0.00 -1.26 -4.70 121.76 121.29 1c89 s ALA 3 Ca 0.63 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.53 1c89 s ALA 3 Cb -0.12 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1c89 s ALA 3 CO 0.51 -0.13 0.41 0.45 0.00 0.00 0.00 175.76 177.00 1c89 s SER 4 N -0.81 5.47 -0.63 0.00 0.15 0.25 -4.37 113.70 113.77 1c89 s SER 4 Ca 0.45 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 1c89 s SER 4 Cb -0.31 -0.89 0.04 0.00 -1.71 0.00 0.00 66.02 63.15 1c89 s SER 4 CO 0.40 -0.52 1.16 -0.69 1.20 0.00 0.00 173.24 174.79 1c89 s VAL 5 N -2.32 4.02 -0.26 4.45 1.01 -0.89 -1.84 120.40 124.56 1c89 s VAL 5 Ca 0.46 0.55 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1c89 s VAL 5 Cb -0.07 -4.75 0.06 0.00 0.00 0.00 0.00 36.38 31.62 1c89 s VAL 5 CO 0.29 -1.47 -0.11 -0.69 0.00 0.00 0.00 175.10 173.13 1c89 s VAL 6 N 4.95 2.16 0.01 2.92 1.01 0.68 -1.37 120.40 130.76 1c89 s VAL 6 Ca 0.37 -1.65 -0.36 0.00 0.00 0.00 0.00 61.98 60.34 1c89 s VAL 6 Cb -0.09 -2.28 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 1c89 s VAL 6 CO 0.20 -0.04 1.61 0.00 0.00 0.00 0.00 175.10 176.87 1c89 n ALA 7 N 4.43 0.37 0.11 5.51 0.00 -0.16 -3.24 120.51 127.54 1c89 n ALA 7 Ca -0.14 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1c89 n ALA 7 Cb 0.42 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1c89 h ASN 8 N 6.52 0.70 -5.44 0.00 4.21 -1.86 0.58 115.58 120.29 1c89 h ASN 8 Ca -0.47 -0.87 -0.45 0.00 1.21 0.00 0.00 56.30 55.71 1c89 h ASN 8 Cb 1.29 -0.23 0.09 0.00 -1.12 0.00 0.00 38.32 38.35 1c89 h ASN 8 CO 0.88 1.71 0.13 0.00 -1.29 0.00 0.00 177.43 178.86 1c89 n GLN 9 N -3.64 -0.15 -3.26 0.81 10.64 -1.26 -1.42 117.38 119.10 1c89 n GLN 9 Ca -0.20 -2.65 -0.39 0.00 -1.83 0.00 0.00 57.00 51.94 1c89 n GLN 9 Cb 1.09 -0.68 -0.06 0.00 -0.86 0.00 0.00 30.24 29.72 1c89 n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1c89 s LEU 10 N 0.00 4.40 -0.05 2.61 0.20 -1.26 -3.99 118.68 120.59 1c89 s LEU 10 Ca 0.66 1.08 0.03 0.00 0.69 0.00 0.00 54.13 56.58 1c89 s LEU 10 Cb -0.04 -2.84 -0.03 0.00 -0.43 0.00 0.00 46.19 42.86 1c89 s LEU 10 CO 0.44 0.11 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.86 1c89 s ILE 11 N -0.16 3.25 0.00 6.68 1.01 0.47 -4.92 121.20 127.53 1c89 s ILE 11 Ca 0.29 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1c89 s ILE 11 Cb -0.17 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1c89 s ILE 11 CO 0.15 0.56 0.00 -0.81 0.00 0.00 0.00 174.94 174.85 1c89 n PRO 12 N 2.19 0.91 -4.04 2.79 -0.04 -1.26 0.24 135.00 135.78 1c89 n PRO 12 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 1c89 n PRO 12 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1c89 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c89 s ILE 13 N -0.06 4.85 -1.19 0.52 1.01 -1.26 -4.10 121.20 120.98 1c89 s ILE 13 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 1c89 s ILE 13 Cb 0.00 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.91 1c89 s ILE 13 CO 0.00 -0.27 0.72 0.59 0.00 0.00 0.00 174.94 175.98 1c89 n ASN 14 N -1.04 -4.56 -3.75 3.58 3.02 -0.91 -4.88 115.26 106.73 1c89 n ASN 14 Ca -0.08 -1.19 -0.16 0.00 -0.03 0.00 0.00 54.58 53.12 1c89 n ASN 14 Cb 0.57 -2.36 -0.16 0.00 -0.61 0.00 0.00 39.78 37.21 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c89 s THR 15 N -3.51 -0.06 0.11 3.41 2.01 -1.26 -4.86 115.64 111.47 1c89 s THR 15 Ca 0.48 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.43 1c89 s THR 15 Cb -0.23 -0.10 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 1c89 s THR 15 CO 0.93 0.11 1.56 0.00 -0.69 0.00 0.00 174.62 176.53 1c89 s ALA 16 N 1.31 3.70 0.55 7.40 0.00 -1.23 -4.02 121.76 129.46 1c89 s ALA 16 Ca -0.06 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 1c89 s ALA 16 Cb -0.13 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 1c89 s ALA 16 CO -0.03 -0.89 1.14 -0.51 0.00 0.00 0.00 175.76 175.46 1c89 s LEU 17 N 1.83 3.74 0.28 0.00 1.43 -0.95 -4.53 118.68 120.49 1c89 s LEU 17 Ca 0.70 2.19 0.11 0.00 -1.03 0.00 0.00 54.13 56.11 1c89 s LEU 17 Cb -0.40 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.19 1c89 s LEU 17 CO 0.31 -1.25 -0.18 0.42 0.23 0.00 0.00 176.35 175.88 1c89 s THR 18 N -1.76 2.38 0.57 5.49 -4.23 -1.26 0.25 115.64 117.07 1c89 s THR 18 Ca 0.73 -2.36 0.33 0.00 -1.18 0.00 0.00 61.69 59.21 1c89 s THR 18 Cb -0.24 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.63 1c89 s THR 18 CO 0.28 -0.38 2.25 -0.07 -0.54 0.00 0.00 174.62 176.15 1c89 h LEU 19 N 2.26 0.00 0.35 4.79 3.38 -1.96 -2.21 115.31 121.92 1c89 h LEU 19 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1c89 h LEU 19 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1c89 h LEU 19 CO 0.62 0.02 -0.17 0.40 0.09 0.00 0.00 178.44 179.40 1c89 h ILE 20 N 0.00 0.63 -0.13 1.22 5.03 -2.02 -2.84 117.51 119.40 1c89 h ILE 20 Ca -0.00 -0.49 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 1c89 h ILE 20 Cb 0.07 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 1c89 h ILE 20 CO 0.00 0.09 0.00 1.15 -0.68 0.00 0.00 178.15 178.71 1c89 n MET 21 N -5.18 1.41 -3.58 2.37 0.00 -1.06 -4.70 117.12 106.38 1c89 n MET 21 Ca -0.10 -0.51 -0.41 0.00 0.00 0.00 0.00 57.70 56.68 1c89 n MET 21 Cb 0.27 -1.23 -0.10 0.00 0.00 0.00 0.00 33.22 32.15 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1c89 s MET 22 N -1.70 2.75 -0.19 3.17 0.00 -0.85 -3.21 119.30 119.26 1c89 s MET 22 Ca 0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 55.69 54.49 1c89 s MET 22 Cb 0.05 -3.80 -0.02 0.00 0.00 0.00 0.00 34.83 31.07 1c89 s MET 22 CO 0.05 -0.84 -0.05 0.15 0.00 0.00 0.00 175.02 174.34 1c89 s LYS 23 N 1.51 3.47 -1.21 4.11 -0.14 -1.20 -4.90 119.74 121.38 1c89 s LYS 23 Ca 0.02 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 1c89 s LYS 23 Cb -0.21 -2.96 0.18 0.00 -1.68 0.00 0.00 37.83 33.17 1c89 s LYS 23 CO 0.05 -0.03 1.48 0.00 -0.76 0.00 0.00 175.35 176.09 1c89 n ALA 24 N 4.31 4.18 -2.87 5.17 0.00 -1.26 -0.23 120.51 129.82 1c89 n ALA 24 Ca -0.18 -4.31 -0.26 0.00 0.00 0.00 0.00 53.44 48.69 1c89 n ALA 24 Cb 0.52 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 1c89 n ALA 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c89 s GLU 25 N 0.98 3.15 -0.68 0.00 2.12 -0.77 -4.55 118.70 118.96 1c89 s GLU 25 Ca 0.41 -0.77 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 1c89 s GLU 25 Cb -0.01 -2.78 0.07 0.00 0.26 0.00 0.00 34.13 31.67 1c89 s GLU 25 CO -0.00 0.49 0.99 0.08 -0.54 0.00 0.00 175.26 176.28 1c89 s VAL 26 N -1.79 4.31 -0.01 3.70 1.01 -1.26 -0.58 120.40 125.78 1c89 s VAL 26 Ca 0.33 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1c89 s VAL 26 Cb -0.10 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.59 1c89 s VAL 26 CO 0.26 -1.48 0.26 0.68 0.00 0.00 0.00 175.10 174.82 1c89 s VAL 27 N 4.07 0.06 0.26 2.92 -7.23 -1.26 -4.97 120.40 114.26 1c89 s VAL 27 Ca 0.23 -0.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1c89 s VAL 27 Cb -0.16 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1c89 s VAL 27 CO 0.09 -0.28 0.42 0.42 -0.31 0.00 0.00 175.10 175.45 1c89 s THR 28 N -1.28 5.20 0.47 5.32 -4.23 -1.26 -3.88 115.64 115.98 1c89 s THR 28 Ca -0.13 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.53 1c89 s THR 28 Cb -0.06 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 69.88 1c89 s THR 28 CO 0.03 -0.35 1.03 -2.16 -0.54 0.00 0.00 174.62 172.64 1c89 s PRO 29 N -3.87 3.89 -0.73 3.99 0.04 -1.26 -5.05 135.00 132.01 1c89 s PRO 29 Ca 0.37 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1c89 s PRO 29 Cb -0.10 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1c89 s PRO 29 CO 0.31 -0.35 1.85 0.00 0.04 0.00 0.00 177.00 178.84 1c89 s MET 30 N -3.13 2.66 0.00 4.56 0.23 -1.25 -4.92 119.30 117.45 1c89 s MET 30 Ca 0.66 0.19 0.00 0.00 -1.03 0.00 0.00 55.69 55.50 1c89 s MET 30 Cb -0.16 -4.65 0.00 0.00 -1.53 0.00 0.00 34.83 28.49 1c89 s MET 30 CO 0.20 -2.91 0.00 0.41 -2.03 0.00 0.00 175.02 170.69 1c89 n GLY 31 N 6.13 -0.10 3.74 3.16 0.00 -1.26 -4.92 105.19 111.94 1c89 n GLY 31 Ca 0.27 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1c89 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 32 N 0.00 4.99 1.13 -0.61 1.01 -0.89 -4.98 121.20 121.85 1c89 s ILE 32 Ca 0.00 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 1c89 s ILE 32 Cb 0.00 -3.95 0.27 0.00 0.01 0.00 0.00 42.46 38.79 1c89 s ILE 32 CO 0.00 0.35 1.20 -2.16 0.00 0.00 0.00 174.94 174.34 1c89 s PRO 33 N 0.23 -0.68 -0.03 2.79 0.04 -1.26 -2.11 135.00 133.98 1c89 s PRO 33 Ca 0.32 -0.27 0.19 0.00 0.04 0.00 0.00 61.00 61.29 1c89 s PRO 33 Cb -0.18 -1.68 0.61 0.00 0.04 0.00 0.00 34.50 33.30 1c89 s PRO 33 CO 0.16 -3.32 1.51 0.00 0.04 0.00 0.00 177.00 175.40 1c89 n ALA 34 N -4.44 2.60 -0.09 8.56 0.00 -1.26 -4.52 120.51 121.37 1c89 n ALA 34 Ca 0.15 -1.26 -0.07 0.00 0.00 0.00 0.00 53.44 52.26 1c89 n ALA 34 Cb 0.60 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1c89 n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c89 h GLU 35 N 3.86 -0.20 -1.21 0.00 4.39 -1.94 0.28 114.58 119.77 1c89 h GLU 35 Ca 0.00 0.01 -0.50 0.00 0.34 0.00 0.00 59.36 59.22 1c89 h GLU 35 Cb 1.04 0.04 -0.22 0.00 -0.10 0.00 0.00 28.75 29.51 1c89 h GLU 35 CO 0.07 -0.13 0.64 0.39 -1.16 0.00 0.00 179.01 178.82 1c89 n GLU 36 N -5.39 2.23 -0.36 2.33 -0.58 -1.26 -4.70 120.64 112.92 1c89 n GLU 36 Ca 0.01 -2.46 0.02 0.00 -0.42 0.00 0.00 57.16 54.31 1c89 n GLU 36 Cb 0.30 -1.96 0.09 0.00 -0.57 0.00 0.00 31.44 29.29 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 0.96 0.03 0.00 -3.67 1.08 -1.22 2.38 117.51 117.07 1c89 h ILE 37 Ca 0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.94 1c89 h ILE 37 Cb 1.09 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1c89 h ILE 37 CO 1.16 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.81 1c89 n PRO 38 N -5.54 0.20 -0.10 2.37 -0.04 -1.26 -1.23 135.00 129.39 1c89 n PRO 38 Ca 0.13 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1c89 n PRO 38 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1c89 n PRO 38 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c89 n ASN 39 N -1.32 2.31 0.11 3.54 2.85 0.76 -4.61 115.26 118.89 1c89 n ASN 39 Ca 0.07 -0.10 -0.21 0.00 -0.11 0.00 0.00 54.58 54.23 1c89 n ASN 39 Cb 0.14 -0.21 -0.15 0.00 1.24 0.00 0.00 39.78 40.80 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c89 h LEU 40 N 0.00 0.62 -9.34 1.20 -0.00 -0.13 -3.41 115.31 104.25 1c89 h LEU 40 Ca -0.45 -0.74 -0.57 0.00 -0.00 0.00 0.00 57.88 56.12 1c89 h LEU 40 Cb 1.72 -0.20 0.19 0.00 -0.00 0.00 0.00 40.66 42.38 1c89 h LEU 40 CO -0.06 1.60 -0.86 0.52 -0.00 0.00 0.00 178.44 179.63 1c89 n VAL 41 N -3.60 0.97 -0.99 1.22 0.31 -0.36 -1.23 118.33 114.65 1c89 n VAL 41 Ca -0.17 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1c89 n VAL 41 Cb 1.07 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 1c89 n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 42 N 2.22 0.22 3.78 2.92 0.00 0.68 -4.73 105.19 110.28 1c89 n GLY 42 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1c89 n GLY 42 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 43 N -1.12 2.78 -0.07 1.61 0.00 -0.36 -3.90 119.30 118.24 1c89 s MET 43 Ca 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 55.69 56.88 1c89 s MET 43 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 34.83 32.83 1c89 s MET 43 CO 0.00 -1.26 0.33 -0.65 0.00 0.00 0.00 175.02 173.44 1c89 s GLN 44 N -4.24 3.91 0.39 3.16 1.11 -1.26 -2.24 119.66 120.48 1c89 s GLN 44 Ca 0.65 0.22 -0.01 0.00 0.01 0.00 0.00 55.36 56.24 1c89 s GLN 44 Cb -0.19 -3.27 -0.03 0.00 -1.01 0.00 0.00 33.01 28.51 1c89 s GLN 44 CO 0.44 0.58 0.61 0.14 0.01 0.00 0.00 175.29 177.07 1c89 s VAL 45 N -0.63 4.93 -1.58 1.09 -7.23 -1.26 -4.26 120.40 111.45 1c89 s VAL 45 Ca 0.20 -0.33 0.24 0.00 -1.81 0.00 0.00 61.98 60.28 1c89 s VAL 45 Cb -0.15 -3.82 0.04 0.00 0.56 0.00 0.00 36.38 33.01 1c89 s VAL 45 CO 0.09 -0.59 1.25 0.59 -0.31 0.00 0.00 175.10 176.13 1c89 n ASN 46 N -1.92 1.27 -3.05 4.85 4.13 -0.73 -2.13 115.26 117.68 1c89 n ASN 46 Ca -0.03 -1.02 -0.08 0.00 1.68 0.00 0.00 54.58 55.13 1c89 n ASN 46 Cb 0.56 0.44 0.02 0.00 -1.54 0.00 0.00 39.78 39.26 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 s ARG 47 N -2.67 2.13 0.44 3.52 1.70 -1.26 -4.86 118.95 117.96 1c89 s ARG 47 Ca 0.17 -1.36 -0.24 0.00 -0.47 0.00 0.00 55.73 53.83 1c89 s ARG 47 Cb 0.18 0.61 -0.08 0.00 -0.57 0.00 0.00 34.95 35.09 1c89 s ARG 47 CO 0.63 -1.00 1.24 0.00 -1.08 0.00 0.00 175.30 175.10 1c89 s ALA 48 N -2.46 3.08 -0.13 7.88 0.00 -1.26 -4.23 121.76 124.64 1c89 s ALA 48 Ca 0.15 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 1c89 s ALA 48 Cb -0.05 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1c89 s ALA 48 CO 0.11 -0.80 -0.11 0.08 0.00 0.00 0.00 175.76 175.04 1c89 s VAL 49 N -1.39 3.29 0.85 0.00 1.01 0.65 -4.95 120.40 119.87 1c89 s VAL 49 Ca 0.61 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1c89 s VAL 49 Cb -0.34 -2.39 0.21 0.00 0.00 0.00 0.00 36.38 33.85 1c89 s VAL 49 CO 0.42 0.52 0.89 -0.81 0.00 0.00 0.00 175.10 176.13 1c89 n PRO 50 N 3.39 -1.98 -2.73 2.72 -0.04 -1.26 -0.39 135.00 134.70 1c89 n PRO 50 Ca -0.18 -1.40 -0.42 0.00 -0.04 0.00 0.00 63.50 61.46 1c89 n PRO 50 Cb 0.53 -1.15 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1c89 n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c89 s LEU 51 N 0.00 4.31 -0.17 1.53 1.02 -1.26 -3.51 118.68 120.60 1c89 s LEU 51 Ca 0.55 1.56 -0.00 0.00 0.02 0.00 0.00 54.13 56.25 1c89 s LEU 51 Cb -0.04 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.65 1c89 s LEU 51 CO 0.40 -0.33 0.05 0.61 0.02 0.00 0.00 176.35 177.10 1c89 n GLY 52 N 3.01 0.48 3.65 -3.19 0.00 0.19 -4.93 105.19 104.40 1c89 n GLY 52 Ca 0.07 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1c89 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c89 s THR 53 N -2.47 4.91 0.90 2.61 2.01 -0.15 -4.77 115.64 118.69 1c89 s THR 53 Ca 0.02 1.43 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 1c89 s THR 53 Cb -0.01 -4.05 0.14 0.00 0.01 0.00 0.00 72.50 68.58 1c89 s THR 53 CO 0.03 0.01 1.10 0.28 -0.69 0.00 0.00 174.62 175.35 1c89 s THR 54 N 2.40 2.58 -0.63 -0.82 -1.32 -1.26 -0.99 115.64 115.60 1c89 s THR 54 Ca 0.33 0.19 -0.27 0.00 -1.21 0.00 0.00 61.69 60.72 1c89 s THR 54 Cb -0.16 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1c89 s THR 54 CO 0.09 -0.25 1.43 -0.22 -2.21 0.00 0.00 174.62 173.47 1c89 s LEU 55 N -6.39 3.30 -0.13 9.08 1.98 -0.47 -4.79 118.68 121.26 1c89 s LEU 55 Ca 0.64 0.03 -0.16 0.00 -2.89 0.00 0.00 54.13 51.75 1c89 s LEU 55 Cb -0.20 -2.80 -0.04 0.00 0.66 0.00 0.00 46.19 43.81 1c89 s LEU 55 CO 0.58 -1.86 0.39 -0.04 -1.89 0.00 0.00 176.35 173.53 1c89 s MET 56 N 5.82 4.26 0.20 1.98 -1.94 -1.26 -2.09 119.30 126.28 1c89 s MET 56 Ca 0.48 0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.75 1c89 s MET 56 Cb -0.10 -3.41 0.15 0.00 2.01 0.00 0.00 34.83 33.48 1c89 s MET 56 CO 0.21 0.24 1.50 -1.00 -0.01 0.00 0.00 175.02 175.96 1c89 h PRO 57 N 6.53 0.35 0.00 2.03 0.13 -1.94 -2.86 132.00 136.25 1c89 h PRO 57 Ca -0.42 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1c89 h PRO 57 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c89 h PRO 57 CO 0.74 0.88 0.00 -0.44 -0.23 0.00 0.00 178.00 178.95 1c89 h ASP 58 N 0.25 0.00 0.10 1.44 5.19 -1.96 -2.65 116.42 118.79 1c89 h ASP 58 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1c89 h ASP 58 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1c89 h ASP 58 CO 0.11 0.00 -1.23 0.23 -3.12 0.00 0.00 179.24 175.23 1c89 n MET 59 N -2.39 0.21 -4.73 3.56 2.81 -1.10 -4.88 117.12 110.61 1c89 n MET 59 Ca 0.02 -0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.53 1c89 n MET 59 Cb 0.25 -1.52 -0.15 0.00 -0.71 0.00 0.00 33.22 31.09 1c89 n MET 59 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1c89 s VAL 60 N -3.16 2.90 0.00 2.03 1.01 -1.00 -1.78 120.40 120.40 1c89 s VAL 60 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 60 Cb 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1c89 s VAL 60 CO 0.86 0.52 0.00 0.29 0.00 0.00 0.00 175.10 176.77 1c89 n LYS 61 N 3.69 0.00 -3.03 2.72 4.76 -1.26 -4.59 118.16 120.45 1c89 n LYS 61 Ca -0.18 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 1c89 n LYS 61 Cb 0.52 -0.17 -0.06 0.00 -1.84 0.00 0.00 35.03 33.49 1c89 n LYS 61 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1c89 s ASN 62 N -1.84 6.31 -0.08 4.39 -0.87 -1.26 -4.91 114.94 116.67 1c89 s ASN 62 Ca 0.00 -0.49 -0.27 0.00 -1.57 0.00 0.00 52.86 50.53 1c89 s ASN 62 Cb 0.00 -2.35 -0.22 0.00 -0.02 0.00 0.00 41.25 38.66 1c89 s ASN 62 CO 0.00 -0.95 0.99 1.88 -2.57 0.00 0.00 177.10 176.44 1c89 h TYR 63 N 9.05 -0.02 -3.17 2.20 0.05 -1.95 -3.44 116.97 119.68 1c89 h TYR 63 Ca -0.26 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.46 1c89 h TYR 63 Cb 1.09 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 1c89 h TYR 63 CO 0.79 0.69 0.20 -1.83 -1.05 0.00 0.00 178.16 176.97 1c89 s GLU 64 N -3.21 2.19 -0.92 4.88 -1.05 -1.26 -4.07 118.70 115.26 1c89 s GLU 64 Ca -0.17 -1.49 -0.06 0.00 -0.15 0.00 0.00 54.97 53.10 1c89 s GLU 64 Cb -0.01 0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 1c89 s GLU 64 CO 0.65 -1.01 2.88 -0.25 0.95 0.00 0.00 175.26 178.49 1c89 n ASP 65 N -1.41 7.28 -3.12 0.83 8.00 -1.26 -4.47 116.55 122.40 1c89 n ASP 65 Ca -0.07 -2.88 -0.17 0.00 0.71 0.00 0.00 54.79 52.38 1c89 n ASP 65 Cb 0.60 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.29 1c89 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c89 n GLY 66 N 2.15 3.40 3.79 0.44 0.00 -1.26 -5.11 105.19 108.59 1c89 n GLY 66 Ca 0.59 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1c89 n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c89 s THR 67 N -2.56 4.14 0.00 2.61 -4.23 -1.26 -5.06 115.64 109.28 1c89 s THR 67 Ca 0.39 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.57 1c89 s THR 67 Cb 0.36 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1c89 s THR 67 CO -0.07 0.04 0.00 1.07 -0.54 0.00 0.00 174.62 175.12 1c89 n THR 68 N 0.24 0.00 -1.83 3.99 5.66 -1.26 -4.79 114.28 116.30 1c89 n THR 68 Ca 0.03 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.61 1c89 n THR 68 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1c89 s SER 69 N -1.27 5.96 0.00 1.09 0.01 -1.26 -4.93 113.70 113.31 1c89 s SER 69 Ca 0.00 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.11 1c89 s SER 69 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1c89 s SER 69 CO 0.00 -1.56 0.00 -0.81 0.41 0.00 0.00 173.24 171.28 1c89 n PRO 70 N 8.19 0.00 0.00 12.44 -0.04 -1.26 -4.74 135.00 149.58 1c89 n PRO 70 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1c89 n PRO 70 Cb 0.45 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1c89 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c89 n GLY 71 N 2.19 0.64 1.85 0.55 0.00 -1.26 -3.95 105.19 105.20 1c89 n GLY 71 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 1c89 n GLY 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c89 n LEU 72 N 0.00 6.04 -4.62 0.99 -0.00 -1.26 -4.91 117.00 113.24 1c89 n LEU 72 Ca 0.00 -3.11 -0.43 0.00 -0.00 0.00 0.00 56.01 52.47 1c89 n LEU 72 Cb 0.00 -1.13 -0.03 0.00 -0.00 0.00 0.00 43.42 42.27 1c89 n LEU 72 CO 0.00 1.25 1.53 -0.54 -0.00 0.00 0.00 177.39 179.64 1c89 s LYS 73 N -1.05 3.56 0.53 1.47 3.01 -1.25 -4.54 119.74 121.48 1c89 s LYS 73 Ca 0.28 1.75 -0.03 0.00 -1.01 0.00 0.00 55.97 56.95 1c89 s LYS 73 Cb 0.19 -4.16 0.01 0.00 -1.01 0.00 0.00 37.83 32.86 1c89 s LYS 73 CO -0.03 -1.59 0.80 0.45 0.51 0.00 0.00 175.35 175.50 1c89 s SER 74 N 5.60 5.65 0.20 2.83 0.15 0.36 -4.41 113.70 124.07 1c89 s SER 74 Ca 0.81 0.49 -0.30 0.00 0.70 0.00 0.00 55.95 57.65 1c89 s SER 74 Cb -0.27 -1.56 -0.08 0.00 -1.71 0.00 0.00 66.02 62.39 1c89 s SER 74 CO 0.33 -0.94 1.07 -0.69 1.20 0.00 0.00 173.24 174.21 1c89 s VAL 75 N -2.81 3.86 0.02 4.45 1.01 -0.97 -0.13 120.40 125.84 1c89 s VAL 75 Ca 0.52 1.68 0.03 0.00 0.00 0.00 0.00 61.98 64.20 1c89 s VAL 75 Cb -0.10 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1c89 s VAL 75 CO 0.42 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 175.06 1c89 s VAL 76 N -0.50 0.63 -0.97 2.92 1.01 -0.08 -1.36 120.40 122.05 1c89 s VAL 76 Ca 0.47 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1c89 s VAL 76 Cb -0.29 -0.60 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1c89 s VAL 76 CO 0.35 -0.06 1.30 0.00 0.00 0.00 0.00 175.10 176.69 1c89 s ALA 77 N -0.71 2.99 0.44 5.51 0.00 0.15 -0.21 121.76 129.93 1c89 s ALA 77 Ca -0.02 -2.44 0.13 0.00 0.00 0.00 0.00 51.96 49.64 1c89 s ALA 77 Cb -0.06 -4.31 1.04 0.00 0.00 0.00 0.00 23.12 19.78 1c89 s ALA 77 CO 0.00 -3.33 2.01 -2.95 0.00 0.00 0.00 175.76 171.49 1c89 h ASN 78 N 9.41 0.33 -4.45 0.00 -1.07 -1.78 -0.46 115.58 117.56 1c89 h ASN 78 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.30 1c89 h ASN 78 Cb 1.02 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 37.18 1c89 h ASN 78 CO 1.29 0.21 -0.11 1.67 0.07 0.00 0.00 177.43 180.56 1c89 n GLN 79 N -4.47 1.16 -3.53 4.14 7.27 -1.26 -2.09 117.38 118.60 1c89 n GLN 79 Ca 0.07 -1.41 -0.37 0.00 0.07 0.00 0.00 57.00 55.36 1c89 n GLN 79 Cb 0.30 0.15 -0.08 0.00 2.41 0.00 0.00 30.24 33.02 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c89 s LEU 80 N 0.00 4.14 -0.10 1.69 0.20 -1.25 -3.76 118.68 119.61 1c89 s LEU 80 Ca 0.13 0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.30 1c89 s LEU 80 Cb -0.01 -2.30 -0.00 0.00 -0.43 0.00 0.00 46.19 43.44 1c89 s LEU 80 CO 0.08 0.01 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.30 1c89 s ILE 81 N 1.11 2.24 0.50 6.68 1.01 -0.73 -4.96 121.20 127.06 1c89 s ILE 81 Ca 0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1c89 s ILE 81 Cb -0.14 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 1c89 s ILE 81 CO 0.06 0.56 1.07 -2.16 0.00 0.00 0.00 174.94 174.46 1c89 s PRO 82 N 0.26 3.68 0.78 2.79 0.04 -1.26 -0.74 135.00 140.55 1c89 s PRO 82 Ca -0.15 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1c89 s PRO 82 Cb -0.17 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 1c89 s PRO 82 CO 0.08 -0.55 -0.39 -0.89 0.04 0.00 0.00 177.00 175.29 1c89 n ILE 83 N -1.05 0.15 -3.39 0.56 5.41 -1.25 -3.45 119.36 116.34 1c89 n ILE 83 Ca 0.10 -0.48 -0.22 0.00 1.00 0.00 0.00 62.75 63.15 1c89 n ILE 83 Cb 0.52 -0.09 0.01 0.00 -0.71 0.00 0.00 39.64 39.38 1c89 n ILE 83 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1c89 n ASN 84 N 2.62 -6.18 -3.52 4.38 2.85 0.37 -4.94 115.26 110.84 1c89 n ASN 84 Ca 0.03 -0.27 -0.21 0.00 -0.11 0.00 0.00 54.58 54.02 1c89 n ASN 84 Cb 0.52 -3.03 -0.14 0.00 1.24 0.00 0.00 39.78 38.37 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c89 s THR 85 N -2.44 -0.25 -0.74 -0.44 2.01 -1.22 -4.80 115.64 107.75 1c89 s THR 85 Ca 0.17 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1c89 s THR 85 Cb -0.03 -0.67 -0.15 0.00 0.01 0.00 0.00 72.50 71.67 1c89 s THR 85 CO 0.84 -0.26 2.52 0.00 -0.69 0.00 0.00 174.62 177.04 1c89 n ALA 86 N 5.31 0.57 -2.22 7.40 0.00 -1.24 -3.88 120.51 126.44 1c89 n ALA 86 Ca -0.06 -0.69 -0.39 0.00 0.00 0.00 0.00 53.44 52.30 1c89 n ALA 86 Cb 0.49 -2.80 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 1c89 n ALA 86 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1c89 s LEU 87 N 10.56 4.54 0.37 0.00 2.34 0.17 -4.70 118.68 131.96 1c89 s LEU 87 Ca 1.15 1.36 0.04 0.00 0.06 0.00 0.00 54.13 56.73 1c89 s LEU 87 Cb -0.65 -3.01 -0.05 0.00 -0.56 0.00 0.00 46.19 41.93 1c89 s LEU 87 CO 0.36 0.24 0.07 0.42 -1.06 0.00 0.00 176.35 176.38 1c89 s THR 88 N -1.02 1.07 0.49 5.48 -4.23 -1.26 0.23 115.64 116.39 1c89 s THR 88 Ca 0.31 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.10 1c89 s THR 88 Cb -0.20 -2.62 0.46 0.00 1.34 0.00 0.00 72.50 71.48 1c89 s THR 88 CO 0.21 0.00 1.83 0.17 -0.54 0.00 0.00 174.62 176.29 1c89 h LEU 89 N 1.93 0.17 -0.10 4.79 -0.00 -1.96 0.63 115.31 120.78 1c89 h LEU 89 Ca -0.40 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1c89 h LEU 89 Cb 1.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1c89 h LEU 89 CO 0.67 0.04 0.05 0.58 -0.00 0.00 0.00 178.44 179.79 1c89 h VAL 90 N 0.16 1.10 0.00 0.15 2.07 -2.01 -2.87 116.25 114.85 1c89 h VAL 90 Ca 0.51 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1c89 h VAL 90 Cb 1.72 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1c89 h VAL 90 CO -0.10 0.09 -0.42 0.24 0.02 0.00 0.00 177.57 177.40 1c89 h MET 91 N 0.05 0.00 -5.24 1.57 2.86 -1.37 -3.44 114.93 109.36 1c89 h MET 91 Ca 0.03 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.05 1c89 h MET 91 Cb 0.10 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.59 1c89 h MET 91 CO -0.00 0.00 -0.58 -1.64 1.06 0.00 0.00 176.91 175.74 1c89 s MET 92 N -3.22 3.90 -0.30 1.72 1.00 0.20 -3.75 119.30 118.85 1c89 s MET 92 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 55.69 55.33 1c89 s MET 92 Cb 0.10 -3.20 0.04 0.00 0.00 0.00 0.00 34.83 31.77 1c89 s MET 92 CO 0.70 0.21 0.03 0.15 0.00 0.00 0.00 175.02 176.10 1c89 s LYS 93 N 0.54 2.56 -0.67 2.03 1.02 0.70 -4.54 119.74 121.38 1c89 s LYS 93 Ca 0.03 -1.19 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 1c89 s LYS 93 Cb -0.13 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1c89 s LYS 93 CO 0.01 -0.60 1.64 0.00 -0.92 0.00 0.00 175.35 175.48 1c89 s ALA 94 N 1.31 2.38 0.26 5.17 0.00 -1.26 -0.91 121.76 128.72 1c89 s ALA 94 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1c89 s ALA 94 Cb -0.19 -4.30 -0.05 0.00 0.00 0.00 0.00 23.12 18.58 1c89 s ALA 94 CO -0.00 -3.69 -0.15 -1.21 0.00 0.00 0.00 175.76 170.71 1c89 s GLU 95 N 6.52 1.54 -0.70 0.00 2.02 0.82 -4.70 118.70 124.20 1c89 s GLU 95 Ca 0.55 -1.72 -0.26 0.00 0.02 0.00 0.00 54.97 53.56 1c89 s GLU 95 Cb -0.10 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.69 1c89 s GLU 95 CO 0.17 0.22 1.63 -2.00 0.02 0.00 0.00 175.26 175.30 1c89 s GLU 96 N -3.60 2.88 0.04 1.61 -6.30 -1.26 -0.49 118.70 111.58 1c89 s GLU 96 Ca 0.27 0.14 0.05 0.00 -2.50 0.00 0.00 54.97 52.93 1c89 s GLU 96 Cb -0.02 -4.40 -0.02 0.00 0.00 0.00 0.00 34.13 29.69 1c89 s GLU 96 CO 0.12 -2.53 -0.14 0.08 0.02 0.00 0.00 175.26 172.81 1c89 s VAL 97 N 7.69 1.08 0.06 3.70 1.01 -1.26 -4.95 120.40 127.73 1c89 s VAL 97 Ca 0.54 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1c89 s VAL 97 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1c89 s VAL 97 CO 0.16 -0.03 -0.02 -0.44 0.00 0.00 0.00 175.10 174.77 1c89 s SER 98 N -1.19 4.92 1.07 3.32 0.01 -1.26 -3.89 113.70 116.68 1c89 s SER 98 Ca 0.01 -0.16 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 1c89 s SER 98 Cb -0.08 -1.17 0.24 0.00 0.21 0.00 0.00 66.02 65.22 1c89 s SER 98 CO 0.01 0.22 1.24 -2.16 0.41 0.00 0.00 173.24 172.96 1c89 s PRO 99 N -1.99 -0.24 -0.77 12.44 0.04 -1.26 -5.01 135.00 138.21 1c89 s PRO 99 Ca 0.23 -0.30 -0.26 0.00 0.04 0.00 0.00 61.00 60.70 1c89 s PRO 99 Cb -0.11 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1c89 s PRO 99 CO 0.14 -3.02 1.67 0.15 0.04 0.00 0.00 177.00 175.99 1c89 s LYS 100 N -5.72 2.90 0.00 4.56 3.01 -1.25 -4.93 119.74 118.31 1c89 s LYS 100 Ca 0.73 -0.06 0.00 0.00 -1.01 0.00 0.00 55.97 55.63 1c89 s LYS 100 Cb -0.06 -4.63 0.00 0.00 -1.01 0.00 0.00 37.83 32.14 1c89 s LYS 100 CO 0.54 -2.64 0.00 0.41 0.51 0.00 0.00 175.35 174.17 1c89 n GLY 101 N 6.04 -0.67 3.37 -3.33 0.00 -1.26 -4.88 105.19 104.47 1c89 n GLY 101 Ca 0.22 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1c89 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c89 s ILE 102 N 0.00 3.82 0.85 -0.61 1.01 -0.08 -4.63 121.20 121.56 1c89 s ILE 102 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1c89 s ILE 102 Cb 0.00 -2.77 0.10 0.00 0.01 0.00 0.00 42.46 39.80 1c89 s ILE 102 CO 0.00 0.37 1.10 -2.16 0.00 0.00 0.00 174.94 174.25 1c89 s PRO 103 N 1.54 1.64 -1.14 2.79 0.04 -1.26 -2.28 135.00 136.32 1c89 s PRO 103 Ca 0.06 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 1c89 s PRO 103 Cb -0.15 -1.86 0.23 0.00 0.04 0.00 0.00 34.50 32.76 1c89 s PRO 103 CO 0.00 -1.96 2.11 -1.13 0.04 0.00 0.00 177.00 176.06 1c89 n SER 104 N -3.67 7.66 -0.04 6.66 3.41 -1.26 -4.68 113.62 121.70 1c89 n SER 104 Ca 0.07 -3.44 -0.01 0.00 -0.26 0.00 0.00 58.87 55.23 1c89 n SER 104 Cb 0.56 -1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1c89 n SER 104 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1c89 h GLU 105 N 4.33 0.00 -0.86 4.33 4.81 -1.97 -3.38 114.58 121.84 1c89 h GLU 105 Ca 0.61 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.60 1c89 h GLU 105 Cb 0.31 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.55 1c89 h GLU 105 CO 1.31 0.00 0.31 0.39 -0.73 0.00 0.00 179.01 180.29 1c89 n GLU 106 N -3.66 2.90 -0.28 1.92 1.02 -1.26 -4.53 120.64 116.75 1c89 n GLU 106 Ca -0.02 -2.48 0.04 0.00 -0.02 0.00 0.00 57.16 54.68 1c89 n GLU 106 Cb 0.07 -2.02 0.18 0.00 -0.02 0.00 0.00 31.44 29.65 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1c89 h ILE 107 N 1.81 0.83 -1.26 -3.67 2.10 -1.87 0.73 117.51 116.17 1c89 h ILE 107 Ca 0.30 -0.23 0.37 0.00 1.08 0.00 0.00 64.86 66.38 1c89 h ILE 107 Cb 2.18 0.09 -0.05 0.00 -1.09 0.00 0.00 36.82 37.95 1c89 h ILE 107 CO 0.69 0.12 1.01 -1.28 -1.08 0.00 0.00 178.15 177.61 1c89 h SER 108 N 0.67 0.00 0.30 2.19 0.87 -1.90 2.14 113.55 117.83 1c89 h SER 108 Ca 0.41 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.75 1c89 h SER 108 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1c89 h SER 108 CO -0.30 0.00 -1.89 1.17 -0.53 0.00 0.00 176.83 175.28 1c89 n LYS 109 N -3.90 0.65 -0.19 2.24 4.81 0.20 -4.19 118.16 117.78 1c89 n LYS 109 Ca 0.28 0.06 0.10 0.00 -0.87 0.00 0.00 58.31 57.88 1c89 n LYS 109 Cb 1.41 -1.65 0.20 0.00 0.02 0.00 0.00 35.03 35.01 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c89 n LEU 110 N -2.72 3.27 -4.74 3.14 4.77 0.25 -4.95 117.00 116.01 1c89 n LEU 110 Ca -0.17 -1.62 -0.42 0.00 -0.03 0.00 0.00 56.01 53.77 1c89 n LEU 110 Cb 0.91 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1c89 n LEU 110 CO 0.44 0.74 1.27 -0.69 -1.33 0.00 0.00 177.39 177.81 1c89 s VAL 111 N -1.24 2.17 -0.67 4.08 1.01 0.66 -1.54 120.40 124.87 1c89 s VAL 111 Ca 0.34 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1c89 s VAL 111 Cb 0.19 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1c89 s VAL 111 CO 0.27 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1c89 n GLY 112 N 2.89 0.77 3.79 4.51 0.00 0.64 -4.92 105.19 112.87 1c89 n GLY 112 Ca 0.11 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1c89 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1c89 s MET 113 N -2.82 3.46 -0.06 1.61 0.00 -0.59 -4.06 119.30 116.83 1c89 s MET 113 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 55.69 56.84 1c89 s MET 113 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 34.83 32.74 1c89 s MET 113 CO 0.00 -0.72 0.56 -0.65 0.00 0.00 0.00 175.02 174.21 1c89 s GLN 114 N -3.62 4.33 0.40 3.16 -0.21 -1.26 -0.65 119.66 121.80 1c89 s GLN 114 Ca 0.67 0.63 -0.10 0.00 0.02 0.00 0.00 55.36 56.57 1c89 s GLN 114 Cb -0.18 -3.39 -0.06 0.00 1.00 0.00 0.00 33.01 30.37 1c89 s GLN 114 CO 0.29 0.24 0.77 0.54 -2.12 0.00 0.00 175.29 175.01 1c89 s VAL 115 N 0.28 4.79 -1.98 1.09 0.11 -1.25 -4.79 120.40 118.64 1c89 s VAL 115 Ca 0.30 0.61 0.22 0.00 -2.93 0.00 0.00 61.98 60.18 1c89 s VAL 115 Cb -0.17 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1c89 s VAL 115 CO 0.14 -0.52 1.07 -3.20 -3.33 0.00 0.00 175.10 169.27 1c89 n ASN 116 N -1.29 1.98 -4.48 3.54 4.05 -1.26 -0.48 115.26 117.32 1c89 n ASN 116 Ca 0.02 -1.49 -0.27 0.00 0.45 0.00 0.00 54.58 53.29 1c89 n ASN 116 Cb 0.54 0.50 -0.09 0.00 1.23 0.00 0.00 39.78 41.96 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1c89 s ARG 117 N -2.49 1.94 0.17 1.20 1.04 -1.26 -4.67 118.95 114.88 1c89 s ARG 117 Ca 0.18 -2.17 -0.20 0.00 -1.04 0.00 0.00 55.73 52.50 1c89 s ARG 117 Cb 0.18 -1.12 -0.08 0.00 -2.04 0.00 0.00 34.95 31.89 1c89 s ARG 117 CO 0.58 -0.30 0.68 0.00 -0.04 0.00 0.00 175.30 176.22 1c89 s ALA 118 N -3.04 3.48 -0.05 7.88 0.00 -1.26 -3.87 121.76 124.89 1c89 s ALA 118 Ca 0.24 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1c89 s ALA 118 Cb 0.05 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1c89 s ALA 118 CO 0.12 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 1c89 s VAL 119 N -1.37 2.66 0.00 0.00 1.01 0.08 -4.89 120.40 117.89 1c89 s VAL 119 Ca 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1c89 s VAL 119 Cb -0.18 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1c89 s VAL 119 CO 0.21 0.58 0.00 -1.22 0.00 0.00 0.00 175.10 174.67 1c89 n TYR 120 N 2.57 -1.07 0.00 5.22 4.01 -1.26 -1.77 117.16 124.86 1c89 n TYR 120 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c89 n TYR 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1c89 n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c89 n LEU 121 N 0.00 0.00 -4.35 7.72 7.99 -1.25 -3.85 117.00 123.26 1c89 n LEU 121 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 1c89 n LEU 121 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 1c89 n LEU 121 CO 0.00 -0.00 1.50 0.47 -1.51 0.00 0.00 177.39 177.85 1c89 n ASP 122 N 0.00 -0.87 -4.41 -1.43 8.00 -0.28 -4.46 116.55 113.10 1c89 n ASP 122 Ca 0.00 -1.18 -0.30 0.00 0.71 0.00 0.00 54.79 54.02 1c89 n ASP 122 Cb 0.00 -0.85 -0.13 0.00 -0.02 0.00 0.00 41.12 40.12 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1c89 s GLN 123 N 6.80 1.78 0.09 -1.24 -0.44 -0.62 -4.24 119.66 121.79 1c89 s GLN 123 Ca 0.78 -1.14 -0.30 0.00 -2.50 0.00 0.00 55.36 52.20 1c89 s GLN 123 Cb -0.38 -2.04 -0.05 0.00 -1.64 0.00 0.00 33.01 28.89 1c89 s GLN 123 CO 0.27 0.50 1.02 0.99 0.50 0.00 0.00 175.29 178.57 1c89 s THR 124 N -0.95 4.42 0.00 -0.34 2.01 -1.26 0.31 115.64 119.83 1c89 s THR 124 Ca 0.14 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 1c89 s THR 124 Cb -0.10 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1c89 s THR 124 CO 0.05 0.25 0.91 -0.22 -0.69 0.00 0.00 174.62 174.93 1c89 s LEU 125 N 0.26 4.38 0.19 4.42 2.96 -0.46 -4.89 118.68 125.53 1c89 s LEU 125 Ca 0.50 1.58 0.11 0.00 -0.22 0.00 0.00 54.13 56.09 1c89 s LEU 125 Cb -0.25 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1c89 s LEU 125 CO 0.30 -0.20 -0.23 -0.04 -1.32 0.00 0.00 176.35 174.87 1c89 s MET 126 N 0.80 1.46 0.47 1.98 -1.94 -1.26 -0.91 119.30 119.90 1c89 s MET 126 Ca 0.48 -1.50 0.29 0.00 -1.71 0.00 0.00 55.69 53.25 1c89 s MET 126 Cb -0.21 -1.74 0.94 0.00 2.01 0.00 0.00 34.83 35.83 1c89 s MET 126 CO 0.26 0.37 1.82 -1.00 -0.01 0.00 0.00 175.02 176.46 1c89 h PRO 127 N 3.23 0.00 0.00 2.03 0.13 -1.93 -2.93 132.00 132.53 1c89 h PRO 127 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1c89 h PRO 127 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1c89 h PRO 127 CO 0.48 0.00 -0.51 0.38 -0.23 0.00 0.00 178.00 178.12 1c89 h ASP 128 N 0.00 0.00 0.39 1.44 3.04 -1.95 -3.33 116.42 116.01 1c89 h ASP 128 Ca 0.00 -0.06 -0.31 0.00 -3.24 0.00 0.00 57.03 53.42 1c89 h ASP 128 Cb 0.69 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.94 1c89 h ASP 128 CO 0.00 0.03 -1.79 0.80 -2.04 0.00 0.00 179.24 176.24 1c89 n MET 129 N -2.58 0.67 -2.25 4.15 1.56 -1.12 -4.92 117.12 112.62 1c89 n MET 129 Ca 0.03 0.29 -0.26 0.00 -0.27 0.00 0.00 57.70 57.49 1c89 n MET 129 Cb 0.50 -1.77 0.09 0.00 2.15 0.00 0.00 33.22 34.18 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1c89 s VAL 130 N -2.59 2.25 0.00 1.12 1.01 -1.13 -4.56 120.40 116.50 1c89 s VAL 130 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1c89 s VAL 130 Cb 0.08 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1c89 s VAL 130 CO 0.81 0.00 0.00 2.29 0.00 0.00 0.00 175.10 178.20 1c89 n LYS 131 N -2.97 3.51 -2.46 2.72 2.85 -1.26 -4.78 118.16 115.76 1c89 n LYS 131 Ca 0.10 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.93 1c89 n LYS 131 Cb 0.60 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.99 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1c89 n ASN 132 N 0.00 5.32 -4.65 -5.58 5.03 -1.26 -4.92 115.26 109.20 1c89 n ASN 132 Ca 0.00 -3.16 -0.32 0.00 0.87 0.00 0.00 54.58 51.97 1c89 n ASN 132 Cb 0.00 -1.44 0.16 0.00 -1.02 0.00 0.00 39.78 37.47 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c89 n TYR 133 N 3.43 0.75 1.04 3.10 4.11 -1.26 -5.25 117.16 123.08 1c89 n TYR 133 Ca 0.37 0.39 0.12 0.00 -0.00 0.00 0.00 57.90 58.78 1c89 n TYR 133 Cb 0.36 -2.01 0.13 0.00 -0.00 0.00 0.00 39.34 37.83 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25