#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 n LYS 2 N 0.00 -0.45 -2.71 1.20 4.01 -1.26 -5.02 118.16 113.94 1c89 n LYS 2 Ca 0.00 -1.65 -0.35 0.00 -0.51 0.00 0.00 58.31 55.80 1c89 n LYS 2 Cb 0.00 -0.73 -0.06 0.00 -0.51 0.00 0.00 35.03 33.73 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1c89 s ALA 3 N -3.56 3.06 0.25 7.82 0.00 -1.26 -4.62 121.76 123.45 1c89 s ALA 3 Ca 0.50 0.53 0.08 0.00 0.00 0.00 0.00 51.96 53.06 1c89 s ALA 3 Cb -0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1c89 s ALA 3 CO 0.34 -0.00 0.13 0.45 0.00 0.00 0.00 175.76 176.68 1c89 s SER 4 N -1.88 5.24 -0.70 0.00 0.15 0.19 -4.45 113.70 112.25 1c89 s SER 4 Ca 0.59 -0.35 -0.27 0.00 0.70 0.00 0.00 55.95 56.62 1c89 s SER 4 Cb -0.15 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.94 1c89 s SER 4 CO 0.20 -0.02 1.28 -0.69 1.20 0.00 0.00 173.24 175.21 1c89 s VAL 5 N -2.14 3.77 -0.20 4.45 1.01 -1.04 -1.56 120.40 124.70 1c89 s VAL 5 Ca 0.32 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1c89 s VAL 5 Cb -0.08 -4.84 0.03 0.00 0.00 0.00 0.00 36.38 31.49 1c89 s VAL 5 CO 0.23 -1.71 -0.18 -0.69 0.00 0.00 0.00 175.10 172.75 1c89 s VAL 6 N 5.66 2.10 0.14 2.92 1.01 0.14 -0.09 120.40 132.29 1c89 s VAL 6 Ca 0.38 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1c89 s VAL 6 Cb -0.08 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 1c89 s VAL 6 CO 0.18 0.41 1.72 0.00 0.00 0.00 0.00 175.10 177.41 1c89 s ALA 7 N 1.25 3.80 -0.01 5.51 0.00 0.11 -2.50 121.76 129.92 1c89 s ALA 7 Ca 0.02 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 1c89 s ALA 7 Cb -0.15 -3.71 -0.33 0.00 0.00 0.00 0.00 23.12 18.94 1c89 s ALA 7 CO -0.11 -1.04 0.81 -0.97 0.00 0.00 0.00 175.76 174.45 1c89 h ASN 8 N 7.73 0.72 -2.28 0.00 -1.24 -1.86 1.25 115.58 119.90 1c89 h ASN 8 Ca -0.44 -0.93 -0.46 0.00 0.71 0.00 0.00 56.30 55.18 1c89 h ASN 8 Cb 1.21 -0.24 0.07 0.00 0.73 0.00 0.00 38.32 40.09 1c89 h ASN 8 CO 0.94 1.76 0.07 0.00 -1.29 0.00 0.00 177.43 178.91 1c89 s GLN 9 N -2.59 1.91 -0.13 6.67 -2.07 -1.26 -2.03 119.66 120.17 1c89 s GLN 9 Ca -0.13 -1.01 -0.20 0.00 -1.82 0.00 0.00 55.36 52.20 1c89 s GLN 9 Cb 0.05 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.90 -1.26 0.56 -1.17 -1.32 0.00 0.00 175.29 172.99 1c89 s LEU 10 N -5.05 4.25 -0.10 2.60 0.20 -1.26 -4.20 118.68 115.13 1c89 s LEU 10 Ca 0.64 0.89 -0.02 0.00 0.69 0.00 0.00 54.13 56.33 1c89 s LEU 10 Cb -0.07 -2.81 -0.03 0.00 -0.43 0.00 0.00 46.19 42.85 1c89 s LEU 10 CO 0.43 -0.09 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.76 1c89 s ILE 11 N 0.97 4.23 0.00 6.68 1.01 0.20 -4.92 121.20 129.36 1c89 s ILE 11 Ca 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1c89 s ILE 11 Cb -0.16 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1c89 s ILE 11 CO 0.12 0.59 0.00 -0.81 0.00 0.00 0.00 174.94 174.84 1c89 n PRO 12 N 2.36 0.60 -2.61 2.79 -0.04 -1.26 0.26 135.00 137.09 1c89 n PRO 12 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1c89 n PRO 12 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.24 4.88 -0.50 0.52 1.09 -1.26 -3.99 121.20 121.70 1c89 s ILE 13 Ca 0.00 0.30 -0.20 0.00 -1.10 0.00 0.00 60.65 59.65 1c89 s ILE 13 Cb 0.00 -3.85 0.03 0.00 -1.06 0.00 0.00 42.46 37.58 1c89 s ILE 13 CO 0.00 -0.82 0.53 -0.46 -0.10 0.00 0.00 174.94 174.09 1c89 n ASN 14 N -2.16 -4.29 -3.72 3.58 0.23 -0.41 -4.87 115.26 103.62 1c89 n ASN 14 Ca 0.01 -0.41 -0.19 0.00 -0.53 0.00 0.00 54.58 53.46 1c89 n ASN 14 Cb 0.55 -1.31 -0.17 0.00 -2.08 0.00 0.00 39.78 36.76 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 15 N -1.84 0.03 -0.27 5.53 2.01 -1.26 -4.79 115.64 115.04 1c89 s THR 15 Ca 0.19 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 1c89 s THR 15 Cb -0.02 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1c89 s THR 15 CO 0.73 0.18 1.95 0.00 -0.69 0.00 0.00 174.62 176.79 1c89 s ALA 16 N 1.82 2.86 0.52 7.40 0.00 -1.19 -4.06 121.76 129.11 1c89 s ALA 16 Ca 0.01 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 1c89 s ALA 16 Cb -0.12 -4.02 -0.07 0.00 0.00 0.00 0.00 23.12 18.91 1c89 s ALA 16 CO -0.03 -2.62 1.11 1.28 0.00 0.00 0.00 175.76 175.50 1c89 n LEU 17 N 10.62 3.94 -4.49 0.00 4.77 -0.99 -4.45 117.00 126.40 1c89 n LEU 17 Ca 0.25 0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 56.93 1c89 n LEU 17 Cb 0.46 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 1c89 n LEU 17 CO 0.67 -1.30 -0.41 0.42 -1.33 0.00 0.00 177.39 175.44 1c89 s THR 18 N -1.36 2.19 0.48 -5.08 -4.23 -1.26 0.66 115.64 107.03 1c89 s THR 18 Ca 0.70 -2.25 0.24 0.00 -1.18 0.00 0.00 61.69 59.20 1c89 s THR 18 Cb -0.46 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.17 1c89 s THR 18 CO 0.51 -0.29 2.11 -0.07 -0.54 0.00 0.00 174.62 176.34 1c89 h LEU 19 N 2.16 0.00 0.04 4.79 3.38 -1.95 -1.74 115.31 122.00 1c89 h LEU 19 Ca -0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1c89 h LEU 19 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1c89 h LEU 19 CO 0.67 0.10 -0.02 0.40 0.09 0.00 0.00 178.44 179.67 1c89 h ILE 20 N 0.00 1.23 -0.01 1.22 5.03 -2.01 -2.83 117.51 120.12 1c89 h ILE 20 Ca -0.00 -0.87 0.00 0.00 -0.12 0.00 0.00 64.86 63.87 1c89 h ILE 20 Cb 0.22 1.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.82 1c89 h ILE 20 CO 0.01 0.22 0.00 1.15 -0.68 0.00 0.00 178.15 178.85 1c89 n MET 21 N -4.93 1.09 -3.42 2.37 0.00 -1.08 -4.67 117.12 106.47 1c89 n MET 21 Ca -0.08 -0.13 -0.43 0.00 0.00 0.00 0.00 57.70 57.05 1c89 n MET 21 Cb 0.21 -1.37 -0.10 0.00 0.00 0.00 0.00 33.22 31.97 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 -1.98 3.00 -0.19 3.17 0.00 -0.67 -3.15 119.30 119.48 1c89 s MET 22 Ca 0.35 -0.97 -0.03 0.00 0.00 0.00 0.00 55.69 55.04 1c89 s MET 22 Cb 0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 34.83 30.99 1c89 s MET 22 CO 0.27 -0.79 -0.05 0.15 0.00 0.00 0.00 175.02 174.60 1c89 s LYS 23 N 1.80 3.48 -1.13 4.11 -0.14 -1.04 -4.90 119.74 121.92 1c89 s LYS 23 Ca 0.07 -0.59 -0.13 0.00 -1.36 0.00 0.00 55.97 53.96 1c89 s LYS 23 Cb -0.19 -2.94 0.20 0.00 -1.68 0.00 0.00 37.83 33.22 1c89 s LYS 23 CO 0.11 -0.00 1.27 0.00 -0.76 0.00 0.00 175.35 175.96 1c89 s ALA 24 N 0.99 4.18 0.09 5.17 0.00 -1.26 0.26 121.76 131.18 1c89 s ALA 24 Ca 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 51.96 48.52 1c89 s ALA 24 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 1c89 s ALA 24 CO 0.01 -2.59 0.19 -2.00 0.00 0.00 0.00 175.76 171.37 1c89 s GLU 25 N 0.73 3.29 -1.23 0.00 2.12 -0.60 -4.51 118.70 118.50 1c89 s GLU 25 Ca 0.37 -0.54 -0.14 0.00 0.36 0.00 0.00 54.97 55.01 1c89 s GLU 25 Cb -0.06 -2.94 0.15 0.00 0.26 0.00 0.00 34.13 31.55 1c89 s GLU 25 CO -0.04 0.58 1.50 0.28 -0.54 0.00 0.00 175.26 177.04 1c89 n VAL 26 N 0.14 4.20 -4.30 3.70 0.31 -1.26 0.57 118.33 121.68 1c89 n VAL 26 Ca -0.06 -4.61 -0.18 0.00 -0.01 0.00 0.00 64.34 59.48 1c89 n VAL 26 Cb 0.52 -2.44 -0.09 0.00 -0.91 0.00 0.00 33.84 30.91 1c89 n VAL 26 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1c89 s VAL 27 N 2.02 0.24 0.28 2.52 -7.23 -1.26 -4.95 120.40 112.01 1c89 s VAL 27 Ca 0.45 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1c89 s VAL 27 Cb -0.01 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1c89 s VAL 27 CO 0.02 0.00 0.25 0.42 -0.31 0.00 0.00 175.10 175.47 1c89 s THR 28 N -3.69 4.22 0.50 5.32 -4.23 -1.26 -4.00 115.64 112.51 1c89 s THR 28 Ca 0.37 -1.35 -0.19 0.00 -1.18 0.00 0.00 61.69 59.34 1c89 s THR 28 Cb 0.05 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.44 1c89 s THR 28 CO 0.18 -0.29 1.03 -2.16 -0.54 0.00 0.00 174.62 172.84 1c89 s PRO 29 N -3.91 3.74 -1.17 3.99 0.04 -1.26 -4.99 135.00 131.44 1c89 s PRO 29 Ca 0.36 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 1c89 s PRO 29 Cb -0.07 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1c89 s PRO 29 CO 0.26 -0.47 1.93 -1.33 0.04 0.00 0.00 177.00 177.43 1c89 n MET 30 N -1.18 1.59 0.00 4.56 2.81 -1.26 -4.88 117.12 118.76 1c89 n MET 30 Ca 0.09 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.53 1c89 n MET 30 Cb 0.53 -3.70 0.00 0.00 -0.71 0.00 0.00 33.22 29.34 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c89 n GLY 31 N 5.73 -1.97 3.66 3.03 0.00 -1.26 -4.79 105.19 109.58 1c89 n GLY 31 Ca 0.45 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 4.74 -1.06 -0.61 1.01 -0.88 -4.92 121.20 119.48 1c89 s ILE 32 Ca 0.00 1.89 -0.09 0.00 0.00 0.00 0.00 60.65 62.44 1c89 s ILE 32 Cb 0.00 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1c89 s ILE 32 CO 0.00 -0.13 2.24 -0.81 0.00 0.00 0.00 174.94 176.24 1c89 n PRO 33 N 6.12 2.34 -1.96 2.79 -0.04 -1.26 -2.51 135.00 140.48 1c89 n PRO 33 Ca 0.10 -1.71 -0.03 0.00 -0.04 0.00 0.00 63.50 61.81 1c89 n PRO 33 Cb 0.47 -2.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 1c89 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c89 n ALA 34 N 4.68 -0.61 -0.22 0.55 0.00 -1.26 -4.80 120.51 118.84 1c89 n ALA 34 Ca 0.52 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1c89 n ALA 34 Cb 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1c89 n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1c89 n GLU 35 N -2.06 0.00 -1.19 0.00 2.13 -1.26 -3.46 120.64 114.79 1c89 n GLU 35 Ca -0.03 0.39 -0.27 0.00 0.66 0.00 0.00 57.16 57.91 1c89 n GLU 35 Cb 0.37 -1.38 0.05 0.00 0.27 0.00 0.00 31.44 30.75 1c89 n GLU 35 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1c89 n GLU 36 N -1.66 2.28 0.29 5.31 1.02 -1.26 -4.64 120.64 121.98 1c89 n GLU 36 Ca 0.00 -2.47 -0.16 0.00 -0.02 0.00 0.00 57.16 54.51 1c89 n GLU 36 Cb 0.00 -1.98 -0.08 0.00 -0.02 0.00 0.00 31.44 29.36 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 37 N 1.16 0.43 0.00 -3.67 1.08 -1.93 2.12 117.51 116.69 1c89 h ILE 37 Ca 0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.92 1c89 h ILE 37 Cb 0.79 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 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 -5.42 0.07 -0.10 2.37 -0.04 -1.26 0.14 135.00 130.76 1c89 n PRO 38 Ca -0.12 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1c89 n PRO 38 Cb 0.32 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1c89 n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1c89 n ASN 39 N -1.78 2.47 0.01 3.54 3.02 -0.75 -4.55 115.26 117.21 1c89 n ASN 39 Ca 0.02 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.58 1c89 n ASN 39 Cb 0.16 -0.31 0.13 0.00 -0.61 0.00 0.00 39.78 39.16 1c89 n ASN 39 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1c89 n LEU 40 N -3.07 0.62 -4.53 3.41 0.00 0.71 -4.94 117.00 109.20 1c89 n LEU 40 Ca -0.35 -0.04 -0.34 0.00 0.00 0.00 0.00 56.01 55.28 1c89 n LEU 40 Cb 0.87 -0.17 0.11 0.00 0.00 0.00 0.00 43.42 44.23 1c89 n LEU 40 CO 0.20 0.10 0.25 0.52 0.00 0.00 0.00 177.39 178.46 1c89 n VAL 41 N -1.70 1.23 -0.85 1.96 0.31 0.12 -1.66 118.33 117.74 1c89 n VAL 41 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1c89 n VAL 41 Cb 0.37 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.22 0.33 3.78 2.92 0.00 0.21 -4.79 105.19 108.86 1c89 n GLY 42 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.83 2.71 -0.18 1.61 0.00 -0.67 -3.82 119.30 118.12 1c89 s MET 43 Ca 0.00 1.28 -0.10 0.00 0.00 0.00 0.00 55.69 56.87 1c89 s MET 43 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 34.83 32.84 1c89 s MET 43 CO 0.00 -1.31 0.14 -0.65 0.00 0.00 0.00 175.02 173.21 1c89 s GLN 44 N -4.38 4.09 0.56 3.16 -0.21 -1.26 -2.34 119.66 119.28 1c89 s GLN 44 Ca 0.64 -0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.78 1c89 s GLN 44 Cb -0.19 -3.39 -0.01 0.00 1.00 0.00 0.00 33.01 30.42 1c89 s GLN 44 CO 0.46 0.37 0.89 0.14 -2.12 0.00 0.00 175.29 175.02 1c89 s VAL 45 N 0.16 4.25 -0.37 1.09 -7.23 -1.26 -4.75 120.40 112.29 1c89 s VAL 45 Ca 0.10 0.22 0.23 0.00 -1.81 0.00 0.00 61.98 60.72 1c89 s VAL 45 Cb -0.11 -3.66 0.11 0.00 0.56 0.00 0.00 36.38 33.27 1c89 s VAL 45 CO -0.01 -0.71 1.26 -1.13 -0.31 0.00 0.00 175.10 174.21 1c89 h ASN 46 N -0.08 0.00 -5.34 4.85 -0.00 -1.94 -1.08 115.58 111.99 1c89 h ASN 46 Ca -0.46 -0.03 -0.36 0.00 -0.00 0.00 0.00 56.30 55.45 1c89 h ASN 46 Cb 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 39.41 1c89 h ASN 46 CO 0.61 0.02 -0.57 -0.13 -0.00 0.00 0.00 177.43 177.36 1c89 s ARG 47 N -3.28 1.48 0.49 6.67 0.52 -1.26 -4.71 118.95 118.86 1c89 s ARG 47 Ca 0.03 -1.82 -0.20 0.00 -0.52 0.00 0.00 55.73 53.22 1c89 s ARG 47 Cb 0.09 0.14 -0.08 0.00 0.52 0.00 0.00 34.95 35.62 1c89 s ARG 47 CO 0.74 -0.47 1.04 0.00 0.02 0.00 0.00 175.30 176.63 1c89 s ALA 48 N -3.78 2.86 -0.13 2.13 0.00 -1.26 -4.36 121.76 117.21 1c89 s ALA 48 Ca 0.38 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1c89 s ALA 48 Cb 0.05 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1c89 s ALA 48 CO 0.18 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.55 1c89 s VAL 49 N -2.00 3.24 0.24 0.00 1.01 0.71 -4.95 120.40 118.65 1c89 s VAL 49 Ca 0.67 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1c89 s VAL 49 Cb -0.17 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1c89 s VAL 49 CO 0.21 0.52 0.23 -0.81 0.00 0.00 0.00 175.10 175.25 1c89 n PRO 50 N 3.50 -1.28 -2.92 2.72 -0.04 -1.26 0.62 135.00 136.33 1c89 n PRO 50 Ca -0.18 -0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 62.52 1c89 n PRO 50 Cb 0.53 -0.32 -0.05 0.00 -0.04 0.00 0.00 33.50 33.61 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 4.51 -0.94 1.53 1.43 -1.26 -3.67 118.68 120.28 1c89 s LEU 51 Ca 0.14 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1c89 s LEU 51 Cb -0.01 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1c89 s LEU 51 CO 0.11 0.07 0.21 0.61 0.23 0.00 0.00 176.35 177.57 1c89 n GLY 52 N 2.08 -0.05 3.66 -3.19 0.00 0.41 -4.96 105.19 103.14 1c89 n GLY 52 Ca -0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.77 4.76 0.69 2.61 2.01 0.06 -4.70 115.64 118.29 1c89 s THR 53 Ca 0.10 1.89 -0.13 0.00 0.31 0.00 0.00 61.69 63.86 1c89 s THR 53 Cb -0.05 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1c89 s THR 53 CO 0.13 -0.10 1.09 0.28 -0.69 0.00 0.00 174.62 175.33 1c89 s THR 54 N 2.77 3.39 -1.03 -0.82 -1.32 -1.26 0.09 115.64 117.46 1c89 s THR 54 Ca 0.42 0.56 -0.23 0.00 -1.21 0.00 0.00 61.69 61.23 1c89 s THR 54 Cb -0.16 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.71 1c89 s THR 54 CO 0.09 -0.48 1.86 -0.22 -2.21 0.00 0.00 174.62 173.66 1c89 s LEU 55 N -5.23 3.23 0.05 9.08 1.98 0.87 -4.83 118.68 123.84 1c89 s LEU 55 Ca 0.64 -1.19 0.01 0.00 -2.89 0.00 0.00 54.13 50.70 1c89 s LEU 55 Cb -0.18 -2.57 -0.04 0.00 0.66 0.00 0.00 46.19 44.06 1c89 s LEU 55 CO 0.47 -2.54 0.13 -0.04 -1.89 0.00 0.00 176.35 172.48 1c89 s MET 56 N 6.36 3.15 0.40 1.98 -1.94 -1.26 -2.08 119.30 125.91 1c89 s MET 56 Ca 0.65 -0.53 0.28 0.00 -1.71 0.00 0.00 55.69 54.37 1c89 s MET 56 Cb -0.03 -2.89 0.96 0.00 2.01 0.00 0.00 34.83 34.87 1c89 s MET 56 CO 0.02 0.61 1.80 -1.00 -0.01 0.00 0.00 175.02 176.44 1c89 h PRO 57 N 3.42 0.00 -0.65 2.03 0.13 -1.92 -3.14 132.00 131.86 1c89 h PRO 57 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1c89 h PRO 57 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1c89 h PRO 57 CO 0.69 0.00 0.17 0.22 -0.23 0.00 0.00 178.00 178.85 1c89 h ASP 58 N 0.00 0.95 0.31 1.44 3.58 -1.95 -2.48 116.42 118.27 1c89 h ASP 58 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1c89 h ASP 58 Cb 0.62 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1c89 h ASP 58 CO 0.00 0.91 -0.39 0.23 -2.88 0.00 0.00 179.24 177.11 1c89 n MET 59 N -4.25 0.51 -4.09 0.28 2.81 -1.19 -4.76 117.12 106.42 1c89 n MET 59 Ca 0.05 -0.31 -0.33 0.00 -1.81 0.00 0.00 57.70 55.30 1c89 n MET 59 Cb 0.24 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.71 2.17 0.00 2.03 1.01 -0.93 -3.36 120.40 118.61 1c89 s VAL 60 Ca 0.18 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1c89 s VAL 60 Cb 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1c89 s VAL 60 CO 0.60 0.27 0.00 2.29 0.00 0.00 0.00 175.10 178.26 1c89 n LYS 61 N 4.54 3.06 -1.76 2.72 2.85 -1.26 -4.50 118.16 123.80 1c89 n LYS 61 Ca -0.18 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.74 1c89 n LYS 61 Cb 0.46 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.79 1c89 n LYS 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1c89 n ASN 62 N 0.00 2.94 0.00 -5.58 5.03 -1.26 -4.85 115.26 111.54 1c89 n ASN 62 Ca 0.00 -2.70 0.00 0.00 0.87 0.00 0.00 54.58 52.75 1c89 n ASN 62 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.24 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c89 n TYR 63 N 11.86 0.00 -4.52 3.10 0.18 -1.26 -4.68 117.16 121.84 1c89 n TYR 63 Ca 0.47 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.99 1c89 n TYR 63 Cb 0.44 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.32 1c89 n TYR 63 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1c89 s GLU 64 N 0.00 1.90 -0.07 -3.48 0.41 -1.26 -4.96 118.70 111.24 1c89 s GLU 64 Ca 0.00 -2.15 -0.04 0.00 -0.41 0.00 0.00 54.97 52.37 1c89 s GLU 64 Cb 0.00 -0.70 -0.01 0.00 -1.78 0.00 0.00 34.13 31.64 1c89 s GLU 64 CO 0.00 -0.43 -0.07 0.22 -0.49 0.00 0.00 175.26 174.49 1c89 h ASP 65 N 1.81 0.00 0.00 -0.19 1.82 -1.93 -3.47 116.42 114.47 1c89 h ASP 65 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1c89 h ASP 65 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1c89 h ASP 65 CO 0.60 0.35 0.00 0.61 -1.61 0.00 0.00 179.24 179.18 1c89 n GLY 66 N 1.72 1.17 3.97 -0.78 0.00 -1.26 -5.00 105.19 105.01 1c89 n GLY 66 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.45 -0.03 2.61 -4.23 -1.26 -5.07 115.64 108.11 1c89 s THR 67 Ca 0.00 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1c89 s THR 67 Cb 0.00 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1c89 s THR 67 CO 0.00 0.00 -0.05 0.41 -0.54 0.00 0.00 174.62 174.44 1c89 n THR 68 N -2.58 0.22 -2.91 3.99 -1.04 -1.26 -4.92 114.28 105.78 1c89 n THR 68 Ca 0.10 0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 62.14 1c89 n THR 68 Cb 0.60 -1.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 1c89 n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1c89 s SER 69 N -4.30 6.94 0.00 8.00 0.01 -1.26 -5.00 113.70 118.09 1c89 s SER 69 Ca -0.04 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1c89 s SER 69 Cb 0.01 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1c89 s SER 69 CO 0.06 -0.38 0.00 -0.81 0.41 0.00 0.00 173.24 172.52 1c89 n PRO 70 N 5.16 0.00 0.00 12.44 -0.04 -1.26 -4.85 135.00 146.46 1c89 n PRO 70 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1c89 n PRO 70 Cb 0.49 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.12 2.35 2.21 0.55 0.00 -1.26 -4.31 105.19 106.85 1c89 n GLY 71 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1c89 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c89 n LEU 72 N 0.00 6.15 -4.71 0.99 4.77 -1.26 -4.94 117.00 117.99 1c89 n LEU 72 Ca 0.00 -3.63 -0.42 0.00 -0.03 0.00 0.00 56.01 51.93 1c89 n LEU 72 Cb 0.00 -1.23 -0.03 0.00 -2.33 0.00 0.00 43.42 39.83 1c89 n LEU 72 CO 0.00 1.58 1.16 -1.59 -1.33 0.00 0.00 177.39 177.22 1c89 s LYS 73 N -1.07 4.26 0.35 3.23 0.00 -1.26 -4.53 119.74 120.71 1c89 s LYS 73 Ca 0.52 2.23 0.05 0.00 0.00 0.00 0.00 55.97 58.77 1c89 s LYS 73 Cb 0.32 -3.24 -0.01 0.00 0.00 0.00 0.00 37.83 34.90 1c89 s LYS 73 CO -0.12 -0.55 0.50 -1.54 0.00 0.00 0.00 175.35 173.64 1c89 s SER 74 N 1.25 5.99 -0.21 0.03 1.04 0.36 -3.26 113.70 118.90 1c89 s SER 74 Ca 0.68 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.79 1c89 s SER 74 Cb -0.40 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 1c89 s SER 74 CO 0.31 -0.44 0.88 -0.69 0.98 0.00 0.00 173.24 174.27 1c89 s VAL 75 N -2.23 4.82 -0.01 5.02 1.01 -1.03 0.24 120.40 128.21 1c89 s VAL 75 Ca 0.44 1.70 0.08 0.00 0.00 0.00 0.00 61.98 64.20 1c89 s VAL 75 Cb -0.10 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1c89 s VAL 75 CO 0.32 -0.06 -0.26 -0.69 0.00 0.00 0.00 175.10 174.42 1c89 s VAL 76 N 2.64 2.09 -1.13 2.92 1.01 0.12 -2.07 120.40 125.99 1c89 s VAL 76 Ca 0.38 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1c89 s VAL 76 Cb -0.16 -1.74 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1c89 s VAL 76 CO 0.09 0.54 1.48 0.00 0.00 0.00 0.00 175.10 177.21 1c89 s ALA 77 N -0.65 3.30 0.56 5.51 0.00 0.40 0.76 121.76 131.64 1c89 s ALA 77 Ca 0.10 -2.79 0.25 0.00 0.00 0.00 0.00 51.96 49.52 1c89 s ALA 77 Cb -0.10 -4.39 1.53 0.00 0.00 0.00 0.00 23.12 20.16 1c89 s ALA 77 CO -0.00 -3.22 2.10 -0.97 0.00 0.00 0.00 175.76 173.66 1c89 h ASN 78 N 8.36 0.00 -3.12 0.00 -1.24 -1.80 -0.85 115.58 116.92 1c89 h ASN 78 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1c89 h ASN 78 Cb 0.94 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1c89 h ASN 78 CO 1.34 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.48 1c89 n GLN 79 N -4.09 1.88 -3.39 6.67 3.00 -1.25 -3.24 117.38 116.95 1c89 n GLN 79 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.63 1c89 n GLN 79 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.49 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1c89 s LEU 80 N 0.00 4.42 -0.21 1.08 1.98 -1.26 -3.89 118.68 120.79 1c89 s LEU 80 Ca 0.00 0.98 0.01 0.00 -2.89 0.00 0.00 54.13 52.23 1c89 s LEU 80 Cb 0.00 -2.69 0.04 0.00 0.66 0.00 0.00 46.19 44.20 1c89 s LEU 80 CO 0.00 0.20 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.92 1c89 s ILE 81 N -0.50 1.83 0.47 6.68 1.01 -0.93 -4.99 121.20 124.77 1c89 s ILE 81 Ca 0.26 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 1c89 s ILE 81 Cb -0.17 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 1c89 s ILE 81 CO 0.14 0.15 1.08 -2.16 0.00 0.00 0.00 174.94 174.15 1c89 s PRO 82 N 1.31 3.81 0.75 2.79 0.04 -1.26 -0.41 135.00 142.01 1c89 s PRO 82 Ca -0.03 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1c89 s PRO 82 Cb -0.17 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1c89 s PRO 82 CO -0.08 -0.45 0.13 -0.89 0.04 0.00 0.00 177.00 175.75 1c89 n ILE 83 N -0.72 0.92 -3.61 0.56 5.41 -1.25 -3.34 119.36 117.33 1c89 n ILE 83 Ca 0.08 -0.42 -0.28 0.00 1.00 0.00 0.00 62.75 63.14 1c89 n ILE 83 Cb 0.51 -0.43 0.01 0.00 -0.71 0.00 0.00 39.64 39.02 1c89 n ILE 83 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1c89 n ASN 84 N 0.93 -4.64 -3.52 4.38 0.23 0.01 -4.91 115.26 107.73 1c89 n ASN 84 Ca 0.07 -0.69 -0.20 0.00 -0.53 0.00 0.00 54.58 53.23 1c89 n ASN 84 Cb 0.51 -1.48 -0.14 0.00 -2.08 0.00 0.00 39.78 36.59 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1c89 s THR 85 N -2.44 -0.26 -0.88 5.53 2.01 -1.21 -4.82 115.64 113.56 1c89 s THR 85 Ca 0.11 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 1c89 s THR 85 Cb -0.01 -0.68 -0.23 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.83 -0.26 2.28 0.00 -0.69 0.00 0.00 174.62 176.79 1c89 n ALA 86 N 5.31 0.69 -2.06 7.40 0.00 -1.23 -4.17 120.51 126.44 1c89 n ALA 86 Ca -0.06 -1.15 -0.38 0.00 0.00 0.00 0.00 53.44 51.85 1c89 n ALA 86 Cb 0.49 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 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 8.21 4.47 0.43 0.00 2.34 -0.28 -4.60 118.68 129.25 1c89 s LEU 87 Ca 1.09 1.51 0.06 0.00 0.06 0.00 0.00 54.13 56.85 1c89 s LEU 87 Cb -0.44 -3.41 -0.06 0.00 -0.56 0.00 0.00 46.19 41.72 1c89 s LEU 87 CO 0.30 0.13 0.01 0.42 -1.06 0.00 0.00 176.35 176.15 1c89 s THR 88 N -1.32 1.80 0.58 5.48 -4.23 -1.26 0.14 115.64 116.83 1c89 s THR 88 Ca 0.39 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.21 1c89 s THR 88 Cb -0.20 -2.81 0.44 0.00 1.34 0.00 0.00 72.50 71.28 1c89 s THR 88 CO 0.23 0.00 1.69 0.17 -0.54 0.00 0.00 174.62 176.17 1c89 h LEU 89 N 1.68 0.00 -0.35 4.79 -0.00 -1.95 0.27 115.31 119.75 1c89 h LEU 89 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.43 1c89 h LEU 89 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 1c89 h LEU 89 CO 0.79 0.00 0.18 0.58 -0.00 0.00 0.00 178.44 180.00 1c89 h VAL 90 N 0.00 1.15 0.00 0.15 2.07 -2.01 -2.84 116.25 114.77 1c89 h VAL 90 Ca 0.40 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1c89 h VAL 90 Cb 2.05 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1c89 h VAL 90 CO -0.00 0.16 -0.55 0.24 0.02 0.00 0.00 177.57 177.43 1c89 h MET 91 N 0.44 0.00 -6.18 1.57 2.86 -0.90 -3.46 114.93 109.25 1c89 h MET 91 Ca 0.12 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.16 1c89 h MET 91 Cb 0.09 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 1c89 h MET 91 CO -0.02 0.07 -0.58 -1.64 1.06 0.00 0.00 176.91 175.81 1c89 s MET 92 N -3.22 2.91 -0.16 1.72 1.00 -0.39 -3.85 119.30 117.31 1c89 s MET 92 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 55.69 54.93 1c89 s MET 92 Cb 0.07 -2.69 0.04 0.00 0.00 0.00 0.00 34.83 32.25 1c89 s MET 92 CO 0.74 0.52 -0.04 0.15 0.00 0.00 0.00 175.02 176.39 1c89 s LYS 93 N -2.80 1.27 -0.66 2.03 1.02 0.23 -4.64 119.74 116.19 1c89 s LYS 93 Ca 0.30 -0.47 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 1c89 s LYS 93 Cb -0.11 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1c89 s LYS 93 CO 0.23 -0.45 1.79 0.00 -0.92 0.00 0.00 175.35 175.99 1c89 s ALA 94 N 1.68 2.21 0.03 5.17 0.00 -1.26 0.14 121.76 129.73 1c89 s ALA 94 Ca 0.01 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1c89 s ALA 94 Cb -0.15 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.61 1c89 s ALA 94 CO -0.07 -3.90 -0.24 -1.21 0.00 0.00 0.00 175.76 170.33 1c89 s GLU 95 N 6.84 1.73 -0.79 0.00 0.41 0.64 -4.68 118.70 122.85 1c89 s GLU 95 Ca 0.63 -1.00 -0.23 0.00 -0.41 0.00 0.00 54.97 53.96 1c89 s GLU 95 Cb -0.11 -1.83 0.07 0.00 -1.78 0.00 0.00 34.13 30.48 1c89 s GLU 95 CO 0.17 0.48 1.16 -2.00 -0.49 0.00 0.00 175.26 174.58 1c89 s GLU 96 N -1.04 3.30 0.13 1.61 2.12 -1.26 0.13 118.70 123.70 1c89 s GLU 96 Ca 0.10 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 1c89 s GLU 96 Cb -0.09 -4.54 -0.04 0.00 0.26 0.00 0.00 34.13 29.71 1c89 s GLU 96 CO 0.01 -1.96 0.04 0.54 -0.54 0.00 0.00 175.26 173.35 1c89 s VAL 97 N 4.40 0.17 0.11 3.70 0.11 -1.26 -4.64 120.40 122.99 1c89 s VAL 97 Ca 0.31 -1.91 0.05 0.00 -2.93 0.00 0.00 61.98 57.50 1c89 s VAL 97 Cb -0.09 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1c89 s VAL 97 CO 0.04 -0.50 0.02 -0.94 -3.33 0.00 0.00 175.10 170.39 1c89 s SER 98 N -3.05 5.07 0.54 3.54 1.04 -1.26 -3.50 113.70 116.07 1c89 s SER 98 Ca 0.23 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 1c89 s SER 98 Cb 0.07 -1.21 -0.06 0.00 0.10 0.00 0.00 66.02 64.92 1c89 s SER 98 CO 0.01 0.15 1.03 -2.16 0.98 0.00 0.00 173.24 173.25 1c89 s PRO 99 N -2.50 3.63 -0.60 4.02 0.04 -1.26 -4.99 135.00 133.34 1c89 s PRO 99 Ca 0.27 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 1c89 s PRO 99 Cb -0.11 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1c89 s PRO 99 CO 0.19 -0.55 1.19 -1.59 0.04 0.00 0.00 177.00 176.28 1c89 s LYS 100 N -3.84 3.45 0.00 4.56 0.00 -1.23 -4.93 119.74 117.75 1c89 s LYS 100 Ca 0.63 0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.74 1c89 s LYS 100 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 37.83 33.65 1c89 s LYS 100 CO 0.30 -1.74 0.00 0.41 0.00 0.00 0.00 175.35 174.32 1c89 n GLY 101 N 5.11 1.66 3.51 0.59 0.00 -1.25 -4.93 105.19 109.88 1c89 n GLY 101 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 3.85 0.90 -0.61 1.01 -0.79 -4.56 121.20 121.01 1c89 s ILE 102 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1c89 s ILE 102 Cb 0.00 -2.67 0.13 0.00 0.01 0.00 0.00 42.46 39.93 1c89 s ILE 102 CO 0.00 0.51 1.10 -2.16 0.00 0.00 0.00 174.94 174.39 1c89 s PRO 103 N 0.21 1.23 -0.43 2.79 0.04 -1.26 -2.48 135.00 135.10 1c89 s PRO 103 Ca -0.03 0.56 0.01 0.00 0.04 0.00 0.00 61.00 61.59 1c89 s PRO 103 Cb -0.14 -1.83 0.44 0.00 0.04 0.00 0.00 34.50 33.02 1c89 s PRO 103 CO 0.03 -2.20 1.86 0.43 0.04 0.00 0.00 177.00 177.17 1c89 n SER 104 N -3.81 5.27 0.02 6.66 7.64 -1.20 -4.35 113.62 123.84 1c89 n SER 104 Ca 0.06 -3.36 -0.16 0.00 1.01 0.00 0.00 58.87 56.42 1c89 n SER 104 Cb 0.57 -0.88 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1c89 h GLU 105 N 1.25 0.19 0.00 1.43 4.11 -1.92 -3.37 114.58 116.27 1c89 h GLU 105 Ca 0.49 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1c89 h GLU 105 Cb 1.72 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1c89 h GLU 105 CO 1.04 0.98 -0.98 0.39 0.07 0.00 0.00 179.01 180.52 1c89 n GLU 106 N -3.35 0.05 -0.33 1.06 4.71 -1.26 -4.37 120.64 117.15 1c89 n GLU 106 Ca -0.23 -0.01 0.19 0.00 -0.01 0.00 0.00 57.16 57.10 1c89 n GLU 106 Cb 1.05 -1.51 0.40 0.00 -1.01 0.00 0.00 31.44 30.37 1c89 n GLU 106 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1c89 h ILE 107 N 0.00 0.43 -0.82 -3.67 -0.00 -1.80 0.56 117.51 112.22 1c89 h ILE 107 Ca 0.00 -0.15 0.20 0.00 -0.00 0.00 0.00 64.86 64.90 1c89 h ILE 107 Cb 0.54 -0.05 -0.05 0.00 -0.00 0.00 0.00 36.82 37.26 1c89 h ILE 107 CO 0.00 0.08 0.56 -1.28 -0.00 0.00 0.00 178.15 177.51 1c89 h SER 108 N 0.45 0.26 0.34 2.19 0.87 -1.82 0.36 113.55 116.20 1c89 h SER 108 Ca 0.66 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1c89 h SER 108 Cb 1.35 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1c89 h SER 108 CO -0.54 0.11 -0.90 1.17 -0.53 0.00 0.00 176.83 176.14 1c89 n LYS 109 N -4.43 0.15 -0.27 2.24 3.00 0.19 -4.02 118.16 115.02 1c89 n LYS 109 Ca 0.17 -0.01 0.07 0.00 -0.00 0.00 0.00 58.31 58.54 1c89 n LYS 109 Cb 0.71 -1.55 0.20 0.00 0.00 0.00 0.00 35.03 34.39 1c89 n LYS 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c89 n LEU 110 N -1.74 3.30 -4.67 3.14 4.77 0.69 -5.00 117.00 117.49 1c89 n LEU 110 Ca 0.03 -2.18 -0.48 0.00 -0.03 0.00 0.00 56.01 53.34 1c89 n LEU 110 Cb 0.39 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1c89 n LEU 110 CO 0.40 0.75 1.27 0.52 -1.33 0.00 0.00 177.39 179.00 1c89 n VAL 111 N 0.51 0.23 -2.18 4.08 0.31 0.94 -0.93 118.33 121.30 1c89 n VAL 111 Ca 0.15 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1c89 n VAL 111 Cb 0.55 -1.54 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1c89 n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c89 n GLY 112 N 3.71 0.17 3.82 2.92 0.00 0.37 -4.90 105.19 111.28 1c89 n GLY 112 Ca 0.20 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.40 3.92 -0.24 1.61 0.00 -0.10 -4.11 119.30 115.98 1c89 s MET 113 Ca 0.02 1.14 -0.16 0.00 0.00 0.00 0.00 55.69 56.69 1c89 s MET 113 Cb -0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 34.83 32.66 1c89 s MET 113 CO 0.02 -0.31 0.42 -0.65 0.00 0.00 0.00 175.02 174.50 1c89 s GLN 114 N -3.58 4.09 0.60 3.16 -0.21 -1.26 -1.13 119.66 121.33 1c89 s GLN 114 Ca 0.63 0.17 -0.12 0.00 0.02 0.00 0.00 55.36 56.05 1c89 s GLN 114 Cb -0.12 -3.61 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1c89 s GLN 114 CO 0.23 -0.21 1.02 0.54 -2.12 0.00 0.00 175.29 174.76 1c89 s VAL 115 N 1.85 4.64 -1.49 1.09 0.11 -1.26 -4.78 120.40 120.55 1c89 s VAL 115 Ca 0.18 0.94 0.21 0.00 -2.93 0.00 0.00 61.98 60.38 1c89 s VAL 115 Cb -0.15 -3.82 -0.12 0.00 -1.53 0.00 0.00 36.38 30.76 1c89 s VAL 115 CO 0.09 -1.04 0.97 -3.20 -3.33 0.00 0.00 175.10 168.59 1c89 n ASN 116 N -2.52 1.50 -4.42 3.54 5.15 -1.26 -0.81 115.26 116.43 1c89 n ASN 116 Ca 0.06 -1.25 -0.29 0.00 -0.60 0.00 0.00 54.58 52.51 1c89 n ASN 116 Cb 0.54 0.73 -0.08 0.00 -0.53 0.00 0.00 39.78 40.44 1c89 n ASN 116 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 s ARG 117 N -2.68 2.03 0.15 1.20 1.70 -1.26 -4.68 118.95 115.40 1c89 s ARG 117 Ca 0.13 -2.25 -0.11 0.00 -0.47 0.00 0.00 55.73 53.03 1c89 s ARG 117 Cb 0.17 -1.05 -0.06 0.00 -0.57 0.00 0.00 34.95 33.43 1c89 s ARG 117 CO 0.70 -0.39 0.48 0.00 -1.08 0.00 0.00 175.30 175.01 1c89 s ALA 118 N -3.05 3.64 -0.02 7.88 0.00 -1.26 -3.85 121.76 125.11 1c89 s ALA 118 Ca 0.18 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1c89 s ALA 118 Cb 0.03 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1c89 s ALA 118 CO 0.10 0.53 -0.20 0.08 0.00 0.00 0.00 175.76 176.27 1c89 s VAL 119 N -1.56 1.58 0.00 0.00 1.01 0.45 -4.91 120.40 116.98 1c89 s VAL 119 Ca 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1c89 s VAL 119 Cb -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1c89 s VAL 119 CO 0.20 0.45 0.00 -1.22 0.00 0.00 0.00 175.10 174.53 1c89 n TYR 120 N 2.64 -1.27 0.00 5.22 4.01 -1.26 -2.19 117.16 124.30 1c89 n TYR 120 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1c89 n TYR 120 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1c89 n TYR 120 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1c89 n LEU 121 N 0.00 0.00 -4.34 7.72 -0.00 -1.25 -3.96 117.00 115.17 1c89 n LEU 121 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1c89 n LEU 121 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1c89 n LEU 121 CO 0.00 0.00 1.51 -0.90 -0.00 0.00 0.00 177.39 178.00 1c89 n ASP 122 N 0.00 -0.98 -4.41 1.96 5.75 -0.37 -4.55 116.55 113.96 1c89 n ASP 122 Ca 0.00 -1.15 -0.30 0.00 -0.01 0.00 0.00 54.79 53.34 1c89 n ASP 122 Cb 0.00 -0.81 -0.13 0.00 -1.03 0.00 0.00 41.12 39.15 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1c89 s GLN 123 N 6.71 1.71 0.22 0.11 0.74 -0.96 -4.43 119.66 123.76 1c89 s GLN 123 Ca 0.77 -1.18 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 1c89 s GLN 123 Cb -0.40 -2.01 -0.08 0.00 1.10 0.00 0.00 33.01 31.62 1c89 s GLN 123 CO 0.28 0.49 0.98 0.99 -0.55 0.00 0.00 175.29 177.48 1c89 s THR 124 N -0.97 4.04 -0.03 -0.34 2.01 -1.26 -0.45 115.64 118.63 1c89 s THR 124 Ca 0.14 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.81 1c89 s THR 124 Cb -0.10 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 1c89 s THR 124 CO 0.05 0.43 0.99 -0.22 -0.69 0.00 0.00 174.62 175.19 1c89 s LEU 125 N -0.97 4.33 -0.06 4.42 2.96 -0.88 -4.91 118.68 123.58 1c89 s LEU 125 Ca 0.43 1.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.00 1c89 s LEU 125 Cb -0.27 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 1c89 s LEU 125 CO 0.33 -0.32 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.88 1c89 s MET 126 N 1.33 2.61 0.22 1.98 -1.94 -1.26 -1.88 119.30 120.36 1c89 s MET 126 Ca 0.51 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.92 1c89 s MET 126 Cb -0.20 -2.45 0.19 0.00 2.01 0.00 0.00 34.83 34.37 1c89 s MET 126 CO 0.25 0.62 1.51 -1.00 -0.01 0.00 0.00 175.02 176.39 1c89 h PRO 127 N 5.37 0.05 -0.22 2.03 0.13 -1.85 -2.02 132.00 135.49 1c89 h PRO 127 Ca -0.46 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 1c89 h PRO 127 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1c89 h PRO 127 CO 0.51 0.75 -0.52 0.38 -0.23 0.00 0.00 178.00 178.89 1c89 h ASP 128 N 0.03 0.70 0.01 1.44 3.04 -1.96 -3.31 116.42 116.38 1c89 h ASP 128 Ca -0.01 -0.37 -0.03 0.00 -3.24 0.00 0.00 57.03 53.38 1c89 h ASP 128 Cb 1.28 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 1c89 h ASP 128 CO 0.10 1.10 -0.15 0.24 -2.04 0.00 0.00 179.24 178.49 1c89 h MET 129 N 0.50 0.03 -6.52 4.15 2.86 -1.98 -3.42 114.93 110.54 1c89 h MET 129 Ca 0.02 -0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 57.04 1c89 h MET 129 Cb 1.08 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 1c89 h MET 129 CO 0.10 1.03 1.07 0.08 1.06 0.00 0.00 176.91 180.25 1c89 s VAL 130 N -2.25 3.89 -0.26 -2.22 1.01 -0.76 -4.78 120.40 115.04 1c89 s VAL 130 Ca -0.19 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1c89 s VAL 130 Cb -0.02 -4.26 0.30 0.00 0.00 0.00 0.00 36.38 32.40 1c89 s VAL 130 CO 0.70 -0.84 1.62 2.29 0.00 0.00 0.00 175.10 178.86 1c89 n LYS 131 N 8.18 1.69 -0.05 2.72 -0.00 -1.26 -3.95 118.16 125.49 1c89 n LYS 131 Ca 0.16 -1.54 -0.03 0.00 -0.00 0.00 0.00 58.31 56.89 1c89 n LYS 131 Cb 0.48 -1.60 -0.09 0.00 -0.00 0.00 0.00 35.03 33.81 1c89 n LYS 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1c89 n ASN 132 N -0.15 2.08 -2.85 -5.58 3.02 -1.26 -5.01 115.26 105.51 1c89 n ASN 132 Ca 0.30 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.82 1c89 n ASN 132 Cb 0.95 0.97 0.03 0.00 -0.61 0.00 0.00 39.78 41.12 1c89 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 n TYR 133 N -2.33 -2.61 1.32 3.10 4.11 -1.25 -5.09 117.16 114.40 1c89 n TYR 133 Ca -0.16 -0.11 0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1c89 n TYR 133 Cb 0.76 -0.14 0.37 0.00 -0.00 0.00 0.00 39.34 40.33 1c89 n TYR 133 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25