#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 -0.42 -2.61 -3.83 5.02 -1.26 -5.03 118.16 110.02 1c89 n LYS 2 Ca 0.00 -2.30 -0.39 0.00 -2.02 0.00 0.00 58.31 53.60 1c89 n LYS 2 Cb 0.00 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1c89 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c89 s ALA 3 N -3.41 3.31 0.54 7.82 0.00 -1.26 -4.66 121.76 124.10 1c89 s ALA 3 Ca 0.64 0.73 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1c89 s ALA 3 Cb -0.03 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1c89 s ALA 3 CO 0.43 -0.01 0.51 0.45 0.00 0.00 0.00 175.76 177.14 1c89 n SER 4 N 1.01 2.53 -4.51 0.00 2.88 0.56 -4.59 113.62 111.51 1c89 n SER 4 Ca -0.00 -2.75 -0.42 0.00 -1.33 0.00 0.00 58.87 54.37 1c89 n SER 4 Cb 0.47 -0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.75 1c89 n SER 4 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1c89 s VAL 5 N -2.62 4.14 -0.22 2.46 1.01 -1.00 -1.76 120.40 122.40 1c89 s VAL 5 Ca 0.39 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1c89 s VAL 5 Cb -0.03 -4.72 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1c89 s VAL 5 CO 0.25 -1.49 -0.13 -0.69 0.00 0.00 0.00 175.10 173.04 1c89 s VAL 6 N 4.59 2.35 0.13 2.92 1.01 0.19 -0.02 120.40 131.57 1c89 s VAL 6 Ca 0.29 -1.16 -0.32 0.00 0.00 0.00 0.00 61.98 60.80 1c89 s VAL 6 Cb -0.13 -2.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 1c89 s VAL 6 CO 0.15 0.27 1.81 0.00 0.00 0.00 0.00 175.10 177.33 1c89 n ALA 7 N 4.58 2.19 0.10 5.51 0.00 -0.33 -2.20 120.51 130.37 1c89 n ALA 7 Ca -0.18 0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1c89 n ALA 7 Cb 0.47 -2.57 -0.15 0.00 0.00 0.00 0.00 19.45 17.20 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 8.17 0.69 -2.36 0.00 4.21 -1.87 1.35 115.58 125.78 1c89 h ASN 8 Ca -0.46 -0.88 -0.46 0.00 1.21 0.00 0.00 56.30 55.72 1c89 h ASN 8 Cb 1.22 -0.23 0.07 0.00 -1.12 0.00 0.00 38.32 38.27 1c89 h ASN 8 CO 0.95 1.72 0.06 0.00 -1.29 0.00 0.00 177.43 178.86 1c89 s GLN 9 N -2.59 2.05 0.11 0.81 -2.07 -1.26 -2.51 119.66 114.19 1c89 s GLN 9 Ca -0.12 -0.95 -0.19 0.00 -1.82 0.00 0.00 55.36 52.28 1c89 s GLN 9 Cb 0.05 -2.39 -0.07 0.00 -1.09 0.00 0.00 33.01 29.51 1c89 s GLN 9 CO 0.89 -1.15 0.60 -1.17 -1.32 0.00 0.00 175.29 173.15 1c89 s LEU 10 N -5.00 4.49 -0.04 2.60 0.20 -1.26 -4.22 118.68 115.45 1c89 s LEU 10 Ca 0.62 1.29 0.07 0.00 0.69 0.00 0.00 54.13 56.80 1c89 s LEU 10 Cb -0.08 -3.06 -0.01 0.00 -0.43 0.00 0.00 46.19 42.61 1c89 s LEU 10 CO 0.42 0.22 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.82 1c89 s ILE 11 N -1.21 2.04 0.00 6.68 1.01 0.17 -4.96 121.20 124.93 1c89 s ILE 11 Ca 0.32 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1c89 s ILE 11 Cb -0.19 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1c89 s ILE 11 CO 0.20 0.57 0.00 -0.81 0.00 0.00 0.00 174.94 174.90 1c89 n PRO 12 N 2.76 0.61 -2.75 2.79 -0.04 -1.26 0.25 135.00 137.36 1c89 n PRO 12 Ca -0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1c89 n PRO 12 Cb 0.52 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.26 4.53 -0.68 0.52 1.09 -1.26 -3.75 121.20 121.39 1c89 s ILE 13 Ca 0.00 -0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.48 1c89 s ILE 13 Cb 0.00 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1c89 s ILE 13 CO 0.00 -0.64 0.51 -0.46 -0.10 0.00 0.00 174.94 174.25 1c89 n ASN 14 N -2.23 -4.06 -3.87 3.58 0.23 -0.71 -4.86 115.26 103.35 1c89 n ASN 14 Ca 0.01 -0.80 -0.19 0.00 -0.53 0.00 0.00 54.58 53.07 1c89 n ASN 14 Cb 0.56 -1.34 -0.16 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 -2.75 0.42 -0.27 5.53 2.01 -1.26 -4.78 115.64 114.54 1c89 s THR 15 Ca 0.02 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 1c89 s THR 15 Cb -0.00 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1c89 s THR 15 CO 0.76 0.20 1.65 0.00 -0.69 0.00 0.00 174.62 176.54 1c89 s ALA 16 N 0.98 3.14 0.59 7.40 0.00 -1.25 -3.77 121.76 128.84 1c89 s ALA 16 Ca -0.10 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1c89 s ALA 16 Cb -0.14 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.04 1c89 s ALA 16 CO -0.01 -2.19 1.34 1.28 0.00 0.00 0.00 175.76 176.19 1c89 n LEU 17 N 9.01 5.77 -4.69 0.00 4.77 -1.10 -4.48 117.00 126.28 1c89 n LEU 17 Ca 0.20 0.92 -0.30 0.00 -0.03 0.00 0.00 56.01 56.79 1c89 n LEU 17 Cb 0.46 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 39.89 1c89 n LEU 17 CO 0.66 -0.74 -0.26 0.42 -1.33 0.00 0.00 177.39 176.14 1c89 s THR 18 N -1.32 1.41 0.26 -5.08 -4.23 -1.26 0.14 115.64 105.55 1c89 s THR 18 Ca 0.76 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1c89 s THR 18 Cb -0.40 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.07 1c89 s THR 18 CO 0.45 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.22 1c89 h LEU 19 N 1.55 0.75 -0.38 4.79 -0.00 -1.95 -2.18 115.31 117.88 1c89 h LEU 19 Ca -0.43 -0.19 -0.17 0.00 -0.00 0.00 0.00 57.88 57.09 1c89 h LEU 19 Cb 1.29 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1c89 h LEU 19 CO 0.75 0.83 -0.52 0.40 -0.00 0.00 0.00 178.44 179.90 1c89 h ILE 20 N 0.73 1.29 0.00 1.22 5.03 -2.02 -2.67 117.51 121.09 1c89 h ILE 20 Ca 0.14 -1.72 0.00 0.00 -0.12 0.00 0.00 64.86 63.17 1c89 h ILE 20 Cb 0.46 1.62 0.00 0.00 -3.03 0.00 0.00 36.82 35.87 1c89 h ILE 20 CO 0.02 0.55 0.00 0.80 -0.68 0.00 0.00 178.15 178.85 1c89 n MET 21 N -4.00 0.47 -3.89 2.37 1.56 -1.08 -4.57 117.12 107.98 1c89 n MET 21 Ca -0.04 0.05 -0.35 0.00 -0.27 0.00 0.00 57.70 57.09 1c89 n MET 21 Cb 0.61 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.34 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 1c89 s MET 22 N -2.37 2.88 -0.02 2.12 -2.45 -0.84 -3.71 119.30 114.91 1c89 s MET 22 Ca 0.27 -0.96 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1c89 s MET 22 Cb 0.16 -3.14 -0.03 0.00 1.25 0.00 0.00 34.83 33.07 1c89 s MET 22 CO 0.32 -0.44 -0.08 0.15 1.05 0.00 0.00 175.02 176.03 1c89 s LYS 23 N 1.38 2.58 -1.18 4.11 -0.14 -0.93 -4.89 119.74 120.66 1c89 s LYS 23 Ca 0.00 -0.69 -0.10 0.00 -1.36 0.00 0.00 55.97 53.83 1c89 s LYS 23 Cb -0.17 -2.50 0.22 0.00 -1.68 0.00 0.00 37.83 33.70 1c89 s LYS 23 CO -0.02 0.62 1.44 0.00 -0.76 0.00 0.00 175.35 176.63 1c89 n ALA 24 N 1.77 4.46 -2.84 5.17 0.00 -1.26 0.53 120.51 128.35 1c89 n ALA 24 Ca -0.16 -4.46 -0.31 0.00 0.00 0.00 0.00 53.44 48.50 1c89 n ALA 24 Cb 0.53 -2.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.13 3.14 -0.65 0.00 2.12 -0.72 -4.59 118.70 117.87 1c89 s GLU 25 Ca 0.37 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 1c89 s GLU 25 Cb -0.01 -2.88 0.07 0.00 0.26 0.00 0.00 34.13 31.57 1c89 s GLU 25 CO -0.00 0.60 0.94 0.08 -0.54 0.00 0.00 175.26 176.34 1c89 s VAL 26 N -1.41 4.36 -0.04 3.70 1.01 -1.26 -0.33 120.40 126.44 1c89 s VAL 26 Ca 0.31 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 1c89 s VAL 26 Cb -0.12 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1c89 s VAL 26 CO 0.23 -1.43 0.40 0.68 0.00 0.00 0.00 175.10 174.99 1c89 s VAL 27 N 3.96 0.04 0.46 2.92 -7.23 -1.26 -4.96 120.40 114.33 1c89 s VAL 27 Ca 0.21 -0.33 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 1c89 s VAL 27 Cb -0.17 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1c89 s VAL 27 CO 0.10 -0.18 0.65 0.42 -0.31 0.00 0.00 175.10 175.78 1c89 s THR 28 N -1.14 3.19 0.73 5.32 -4.23 -1.26 -4.40 115.64 113.86 1c89 s THR 28 Ca -0.12 -0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1c89 s THR 28 Cb -0.04 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1c89 s THR 28 CO 0.05 -0.08 1.07 -2.16 -0.54 0.00 0.00 174.62 172.97 1c89 s PRO 29 N -4.51 2.62 -0.82 3.99 0.04 -1.26 -4.99 135.00 130.07 1c89 s PRO 29 Ca 0.53 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 1c89 s PRO 29 Cb -0.10 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1c89 s PRO 29 CO 0.36 -1.32 1.96 0.00 0.04 0.00 0.00 177.00 178.04 1c89 s MET 30 N -5.04 2.51 0.00 4.56 0.23 -1.26 -4.89 119.30 115.42 1c89 s MET 30 Ca 0.59 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.26 1c89 s MET 30 Cb -0.15 -4.87 0.00 0.00 -1.53 0.00 0.00 34.83 28.28 1c89 s MET 30 CO 0.55 -3.28 0.00 0.41 -2.03 0.00 0.00 175.02 170.68 1c89 n GLY 31 N 6.55 1.23 3.66 3.16 0.00 -1.26 -4.95 105.19 113.57 1c89 n GLY 31 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 0.28 5.35 0.26 -0.61 1.01 -0.77 -5.01 121.20 121.71 1c89 s ILE 32 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1c89 s ILE 32 Cb 0.00 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 39.02 1c89 s ILE 32 CO 0.00 0.34 0.27 -0.81 0.00 0.00 0.00 174.94 174.74 1c89 n PRO 33 N 4.33 -1.08 -0.48 2.79 -0.04 -1.26 -2.37 135.00 136.89 1c89 n PRO 33 Ca -0.15 -0.43 -0.04 0.00 -0.04 0.00 0.00 63.50 62.85 1c89 n PRO 33 Cb 0.52 -0.35 0.13 0.00 -0.04 0.00 0.00 33.50 33.76 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 -3.35 3.52 -0.26 0.55 0.00 -1.26 -4.49 120.51 115.22 1c89 n ALA 34 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1c89 n ALA 34 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1c89 n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1c89 n GLU 35 N 0.02 0.00 -0.39 0.00 -0.58 -1.26 -3.74 120.64 114.69 1c89 n GLU 35 Ca 0.20 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1c89 n GLU 35 Cb 0.86 -1.19 0.14 0.00 -0.57 0.00 0.00 31.44 30.68 1c89 n GLU 35 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1c89 n GLU 36 N -1.61 2.36 -0.17 3.49 -0.58 -1.26 -4.49 120.64 118.37 1c89 n GLU 36 Ca 0.00 -1.25 -0.07 0.00 -0.42 0.00 0.00 57.16 55.42 1c89 n GLU 36 Cb 0.00 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 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 1.36 0.16 0.00 -3.67 1.08 -1.81 1.24 117.51 115.88 1c89 h ILE 37 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1c89 h ILE 37 Cb 1.23 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1c89 h ILE 37 CO 0.25 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.90 1c89 n PRO 38 N -5.42 0.15 -0.11 2.37 -0.04 -1.26 -0.46 135.00 130.22 1c89 n PRO 38 Ca 0.02 0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 1c89 n PRO 38 Cb 0.35 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.29 1.92 -1.04 3.54 3.02 0.40 -4.44 115.26 117.37 1c89 n ASN 39 Ca 0.05 0.38 0.06 0.00 -0.03 0.00 0.00 54.58 55.04 1c89 n ASN 39 Cb 0.09 -0.82 0.22 0.00 -0.61 0.00 0.00 39.78 38.66 1c89 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c89 n LEU 40 N -4.38 3.00 -4.77 3.41 -0.00 0.59 -4.94 117.00 109.92 1c89 n LEU 40 Ca -0.33 -1.51 -0.34 0.00 -0.00 0.00 0.00 56.01 53.83 1c89 n LEU 40 Cb 0.67 -0.42 0.04 0.00 -0.00 0.00 0.00 43.42 43.70 1c89 n LEU 40 CO 0.12 0.56 0.77 -0.69 -0.00 0.00 0.00 177.39 178.15 1c89 s VAL 41 N -1.66 3.08 0.00 1.47 1.01 0.39 -2.49 120.40 122.19 1c89 s VAL 41 Ca 0.32 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1c89 s VAL 41 Cb 0.20 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1c89 s VAL 41 CO 0.16 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1c89 n GLY 42 N -0.13 0.53 3.77 4.51 0.00 0.38 -4.80 105.19 109.45 1c89 n GLY 42 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1c89 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 43 N -0.49 4.04 0.27 1.61 1.00 -1.04 -3.79 119.30 120.90 1c89 s MET 43 Ca 0.00 1.74 -0.23 0.00 0.00 0.00 0.00 55.69 57.20 1c89 s MET 43 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 34.83 32.13 1c89 s MET 43 CO 0.00 -0.30 0.84 -0.65 0.00 0.00 0.00 175.02 174.91 1c89 s GLN 44 N -2.40 4.45 0.41 2.03 -0.21 -1.25 -2.70 119.66 120.00 1c89 s GLN 44 Ca 0.58 1.13 0.00 0.00 0.02 0.00 0.00 55.36 57.09 1c89 s GLN 44 Cb -0.28 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1c89 s GLN 44 CO 0.35 0.35 0.63 0.14 -2.12 0.00 0.00 175.29 174.64 1c89 s VAL 45 N -1.54 4.40 -0.77 1.09 -7.23 -1.25 -4.42 120.40 110.68 1c89 s VAL 45 Ca 0.46 -0.47 0.26 0.00 -1.81 0.00 0.00 61.98 60.42 1c89 s VAL 45 Cb -0.18 -3.62 0.15 0.00 0.56 0.00 0.00 36.38 33.29 1c89 s VAL 45 CO 0.23 -0.43 1.58 0.59 -0.31 0.00 0.00 175.10 176.76 1c89 n ASN 46 N -1.98 0.60 -3.71 4.85 4.13 -0.07 -1.74 115.26 117.35 1c89 n ASN 46 Ca -0.01 0.28 -0.10 0.00 1.68 0.00 0.00 54.58 56.43 1c89 n ASN 46 Cb 0.57 -0.25 -0.05 0.00 -1.54 0.00 0.00 39.78 38.51 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 -3.10 1.11 0.40 3.52 1.70 -1.26 -4.75 118.95 116.57 1c89 s ARG 47 Ca 0.10 -0.81 -0.27 0.00 -0.47 0.00 0.00 55.73 54.28 1c89 s ARG 47 Cb 0.14 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.89 1c89 s ARG 47 CO 0.65 -0.43 1.34 0.00 -1.08 0.00 0.00 175.30 175.78 1c89 s ALA 48 N -3.84 3.33 -0.07 7.88 0.00 -1.25 -4.49 121.76 123.32 1c89 s ALA 48 Ca 0.06 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1c89 s ALA 48 Cb 0.02 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1c89 s ALA 48 CO -0.09 -0.87 -0.06 0.08 0.00 0.00 0.00 175.76 174.82 1c89 s VAL 49 N -1.22 3.81 0.22 0.00 1.01 0.70 -4.92 120.40 120.01 1c89 s VAL 49 Ca 0.56 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1c89 s VAL 49 Cb -0.40 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.47 1c89 s VAL 49 CO 0.52 0.60 0.22 -0.81 0.00 0.00 0.00 175.10 175.63 1c89 n PRO 50 N 2.26 -1.14 -3.08 2.72 -0.04 -1.26 0.42 135.00 134.89 1c89 n PRO 50 Ca -0.18 -0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 62.59 1c89 n PRO 50 Cb 0.53 -0.30 -0.06 0.00 -0.04 0.00 0.00 33.50 33.63 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 4.15 -1.59 1.53 1.02 -1.26 -3.81 118.68 118.71 1c89 s LEU 51 Ca 0.14 1.39 -0.01 0.00 0.02 0.00 0.00 54.13 55.67 1c89 s LEU 51 Cb -0.01 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.22 1c89 s LEU 51 CO 0.10 -0.14 0.15 0.61 0.02 0.00 0.00 176.35 177.09 1c89 n GLY 52 N -0.03 -0.50 3.63 -3.19 0.00 0.45 -4.92 105.19 100.63 1c89 n GLY 52 Ca 0.02 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.99 4.87 0.96 2.61 2.01 -0.61 -4.73 115.64 117.76 1c89 s THR 53 Ca 0.08 1.38 -0.11 0.00 0.31 0.00 0.00 61.69 63.35 1c89 s THR 53 Cb -0.04 -4.07 0.15 0.00 0.01 0.00 0.00 72.50 68.55 1c89 s THR 53 CO 0.10 -0.08 1.00 1.07 -0.69 0.00 0.00 174.62 176.02 1c89 n THR 54 N 5.29 0.00 -2.14 -0.82 5.66 -1.26 -1.18 114.28 119.82 1c89 n THR 54 Ca 0.04 -0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 60.58 1c89 n THR 54 Cb 0.48 -0.94 -0.04 0.00 -1.55 0.00 0.00 70.33 68.29 1c89 n THR 54 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1c89 s LEU 55 N -5.80 3.25 -0.26 1.09 1.98 0.97 -4.76 118.68 115.15 1c89 s LEU 55 Ca 0.66 -0.13 -0.17 0.00 -2.89 0.00 0.00 54.13 51.60 1c89 s LEU 55 Cb -0.23 -2.54 -0.03 0.00 0.66 0.00 0.00 46.19 44.05 1c89 s LEU 55 CO 0.60 -2.34 0.46 -0.32 -1.89 0.00 0.00 176.35 172.86 1c89 s MET 56 N 6.73 4.06 0.00 1.98 1.75 -1.26 -1.85 119.30 130.70 1c89 s MET 56 Ca 0.62 0.22 0.19 0.00 -1.25 0.00 0.00 55.69 55.47 1c89 s MET 56 Cb -0.10 -3.65 0.83 0.00 2.84 0.00 0.00 34.83 34.75 1c89 s MET 56 CO 0.13 -0.31 1.62 -0.35 -0.65 0.00 0.00 175.02 175.46 1c89 n PRO 57 N 5.41 0.00 0.18 4.11 -0.04 -1.26 -2.74 135.00 140.67 1c89 n PRO 57 Ca -0.06 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1c89 n PRO 57 Cb 0.50 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.59 1c89 n PRO 57 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 58 N 0.00 0.00 -0.52 3.54 3.58 -1.96 -3.18 116.42 117.87 1c89 h ASP 58 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c89 h ASP 58 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1c89 h ASP 58 CO 0.00 0.26 0.00 0.23 -2.88 0.00 0.00 179.24 176.85 1c89 n MET 59 N -3.18 2.61 -5.26 0.28 2.81 -1.11 -4.92 117.12 108.34 1c89 n MET 59 Ca 0.03 -2.35 -0.31 0.00 -1.81 0.00 0.00 57.70 53.25 1c89 n MET 59 Cb 0.62 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 31.50 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 -1.11 2.04 0.00 2.03 1.01 -1.20 -0.89 120.40 122.27 1c89 s VAL 60 Ca 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1c89 s VAL 60 Cb 0.21 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1c89 s VAL 60 CO 0.28 0.57 0.00 0.29 0.00 0.00 0.00 175.10 176.23 1c89 n LYS 61 N 2.88 -0.04 -1.95 2.72 4.76 -1.26 -4.61 118.16 120.65 1c89 n LYS 61 Ca -0.17 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.93 1c89 n LYS 61 Cb 0.52 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.66 1c89 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c89 n ASN 62 N -1.33 3.29 0.00 4.39 5.15 -1.26 -4.86 115.26 120.64 1c89 n ASN 62 Ca 0.00 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1c89 n ASN 62 Cb 0.00 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.64 1c89 n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c89 n TYR 63 N 11.74 0.00 -0.19 1.20 0.18 -1.26 -4.97 117.16 123.86 1c89 n TYR 63 Ca 0.47 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.25 1c89 n TYR 63 Cb 0.45 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1c89 n TYR 63 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1c89 n GLU 64 N 0.00 3.14 -1.26 -3.48 -0.58 -1.26 -4.93 120.64 112.27 1c89 n GLU 64 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1c89 n GLU 64 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1c89 n ASP 65 N 0.00 6.87 -0.11 1.62 8.00 -1.26 -4.35 116.55 127.33 1c89 n ASP 65 Ca 0.00 -2.66 0.13 0.00 0.71 0.00 0.00 54.79 52.97 1c89 n ASP 65 Cb 0.00 -1.44 0.34 0.00 -0.02 0.00 0.00 41.12 40.00 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 2.61 -0.99 3.96 0.44 0.00 -1.26 -4.89 105.19 105.06 1c89 n GLY 66 Ca 0.58 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.76 3.47 0.00 2.61 -4.23 -1.26 -5.11 115.64 108.36 1c89 s THR 67 Ca 0.18 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1c89 s THR 67 Cb 0.18 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1c89 s THR 67 CO 0.60 -0.21 0.00 0.35 -0.54 0.00 0.00 174.62 174.83 1c89 n THR 68 N -2.20 0.00 -1.99 3.99 -2.24 -1.26 -4.93 114.28 105.65 1c89 n THR 68 Ca 0.04 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 1c89 n THR 68 Cb 0.58 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1c89 s SER 69 N -1.13 5.92 0.00 3.42 0.15 -1.26 -5.00 113.70 115.80 1c89 s SER 69 Ca 0.00 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.30 1c89 s SER 69 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1c89 s SER 69 CO 0.00 -1.12 0.00 -0.81 1.20 0.00 0.00 173.24 172.51 1c89 n PRO 70 N -0.38 0.00 0.00 5.44 -0.04 -1.26 -4.81 135.00 133.95 1c89 n PRO 70 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1c89 n PRO 70 Cb 0.45 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 1.65 2.42 0.55 0.00 -1.26 -4.40 105.19 106.34 1c89 n GLY 71 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 7.67 -4.66 0.99 4.77 -1.26 -4.94 117.00 119.57 1c89 n LEU 72 Ca 0.00 -4.52 -0.43 0.00 -0.03 0.00 0.00 56.01 51.03 1c89 n LEU 72 Cb 0.00 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 39.69 1c89 n LEU 72 CO 0.00 1.98 1.19 -0.54 -1.33 0.00 0.00 177.39 178.69 1c89 s LYS 73 N -0.56 4.21 0.27 3.23 1.02 -1.26 -4.01 119.74 122.64 1c89 s LYS 73 Ca 0.59 1.86 0.08 0.00 0.02 0.00 0.00 55.97 58.52 1c89 s LYS 73 Cb 0.23 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1c89 s LYS 73 CO -0.11 -0.76 0.17 -1.54 -0.92 0.00 0.00 175.35 172.19 1c89 s SER 74 N 2.48 5.25 0.15 2.83 1.04 0.31 -4.40 113.70 121.36 1c89 s SER 74 Ca 0.62 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 1c89 s SER 74 Cb -0.26 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.59 1c89 s SER 74 CO 0.20 -0.09 1.17 -0.69 0.98 0.00 0.00 173.24 174.81 1c89 s VAL 75 N -2.21 3.80 -0.00 5.02 1.01 -0.97 0.11 120.40 127.15 1c89 s VAL 75 Ca 0.34 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1c89 s VAL 75 Cb -0.07 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1c89 s VAL 75 CO 0.24 0.21 -0.10 -0.69 0.00 0.00 0.00 175.10 174.76 1c89 s VAL 76 N 0.20 0.76 -0.71 2.92 1.01 0.15 -0.75 120.40 123.97 1c89 s VAL 76 Ca 0.53 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1c89 s VAL 76 Cb -0.31 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1c89 s VAL 76 CO 0.34 0.18 1.39 0.00 0.00 0.00 0.00 175.10 177.02 1c89 s ALA 77 N -0.29 2.64 0.23 5.51 0.00 0.14 -0.50 121.76 129.49 1c89 s ALA 77 Ca 0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 1c89 s ALA 77 Cb -0.04 -4.27 0.27 0.00 0.00 0.00 0.00 23.12 19.09 1c89 s ALA 77 CO -0.00 -3.40 1.84 -0.97 0.00 0.00 0.00 175.76 173.23 1c89 h ASN 78 N 10.98 0.74 -0.89 0.00 -0.00 -1.28 -1.68 115.58 123.45 1c89 h ASN 78 Ca -0.28 0.01 -0.56 0.00 -0.00 0.00 0.00 56.30 55.48 1c89 h ASN 78 Cb 1.07 -0.14 -0.05 0.00 -0.00 0.00 0.00 38.32 39.20 1c89 h ASN 78 CO 1.27 0.49 -0.34 -1.58 -0.00 0.00 0.00 177.43 177.27 1c89 s GLN 79 N -6.09 2.31 -0.21 6.67 0.74 -1.26 -2.69 119.66 119.14 1c89 s GLN 79 Ca -0.13 -1.89 -0.09 0.00 0.05 0.00 0.00 55.36 53.31 1c89 s GLN 79 Cb 0.17 -2.16 -0.04 0.00 1.10 0.00 0.00 33.01 32.08 1c89 s GLN 79 CO 0.78 -0.48 0.10 -1.17 -0.55 0.00 0.00 175.29 173.98 1c89 s LEU 80 N -4.21 3.94 0.07 3.68 0.20 -1.23 -4.06 118.68 117.06 1c89 s LEU 80 Ca 0.38 0.09 0.09 0.00 0.69 0.00 0.00 54.13 55.38 1c89 s LEU 80 Cb -0.02 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 1c89 s LEU 80 CO 0.23 0.12 -0.24 0.27 -0.29 0.00 0.00 176.35 176.44 1c89 s ILE 81 N 0.69 1.96 0.51 6.68 -4.36 -0.55 -4.89 121.20 121.24 1c89 s ILE 81 Ca 0.05 -1.42 -0.20 0.00 -0.26 0.00 0.00 60.65 58.83 1c89 s ILE 81 Cb -0.13 -1.71 -0.07 0.00 1.25 0.00 0.00 42.46 41.80 1c89 s ILE 81 CO 0.01 0.21 1.06 -2.16 0.24 0.00 0.00 174.94 174.31 1c89 s PRO 82 N -1.46 3.65 0.46 0.37 0.04 -1.26 -1.90 135.00 134.90 1c89 s PRO 82 Ca 0.10 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1c89 s PRO 82 Cb -0.10 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1c89 s PRO 82 CO 0.03 -0.57 -0.11 -0.89 0.04 0.00 0.00 177.00 175.50 1c89 n ILE 83 N -1.12 0.00 -3.00 0.56 5.41 -1.25 -3.66 119.36 116.30 1c89 n ILE 83 Ca 0.10 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.31 1c89 n ILE 83 Cb 0.52 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.46 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1c89 n ASN 84 N 2.31 -7.65 -3.52 4.38 4.13 0.29 -4.97 115.26 110.23 1c89 n ASN 84 Ca 0.07 0.21 -0.21 0.00 1.68 0.00 0.00 54.58 56.33 1c89 n ASN 84 Cb 0.43 -5.02 -0.14 0.00 -1.54 0.00 0.00 39.78 33.52 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c89 s THR 85 N -2.71 -0.25 -0.82 3.41 2.01 -1.24 -4.83 115.64 111.20 1c89 s THR 85 Ca 0.15 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.76 1c89 s THR 85 Cb -0.04 -0.69 -0.19 0.00 0.01 0.00 0.00 72.50 71.59 1c89 s THR 85 CO 0.77 -0.28 2.17 0.00 -0.69 0.00 0.00 174.62 176.59 1c89 n ALA 86 N 5.30 0.51 -1.99 7.40 0.00 -1.25 -4.10 120.51 126.38 1c89 n ALA 86 Ca -0.06 -1.38 -0.36 0.00 0.00 0.00 0.00 53.44 51.64 1c89 n ALA 86 Cb 0.49 -2.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 10.44 4.33 0.00 0.00 2.34 -1.02 -4.69 118.68 130.08 1c89 s LEU 87 Ca 0.92 1.56 0.02 0.00 0.06 0.00 0.00 54.13 56.69 1c89 s LEU 87 Cb -0.28 -3.75 -0.01 0.00 -0.56 0.00 0.00 46.19 41.60 1c89 s LEU 87 CO 0.21 -0.01 0.08 0.35 -1.06 0.00 0.00 176.35 175.92 1c89 n THR 88 N 0.64 0.00 -0.02 5.48 -2.24 -1.26 0.16 114.28 117.04 1c89 n THR 88 Ca -0.01 -1.29 0.23 0.00 -2.27 0.00 0.00 64.05 60.71 1c89 n THR 88 Cb 0.51 0.47 0.61 0.00 -2.10 0.00 0.00 70.33 69.81 1c89 n THR 88 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1c89 h LEU 89 N 0.00 0.00 0.53 3.22 -0.00 -1.96 0.08 115.31 117.19 1c89 h LEU 89 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.68 1c89 h LEU 89 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1c89 h LEU 89 CO 0.27 0.00 -0.32 0.58 -0.00 0.00 0.00 178.44 178.97 1c89 h VAL 90 N 0.00 0.00 -0.00 0.15 2.07 -2.00 -2.84 116.25 113.63 1c89 h VAL 90 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1c89 h VAL 90 Cb 1.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1c89 h VAL 90 CO -0.00 0.00 -0.07 0.23 0.02 0.00 0.00 177.57 177.75 1c89 n MET 91 N -4.40 0.51 -3.58 1.57 2.81 -0.65 -4.64 117.12 108.74 1c89 n MET 91 Ca -0.10 -0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.29 1c89 n MET 91 Cb 0.33 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 1c89 n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1c89 s MET 92 N -2.56 2.71 -0.29 0.03 1.00 -0.07 -0.92 119.30 119.19 1c89 s MET 92 Ca 0.28 -1.34 -0.05 0.00 0.00 0.00 0.00 55.69 54.58 1c89 s MET 92 Cb 0.20 -3.80 0.02 0.00 0.00 0.00 0.00 34.83 31.25 1c89 s MET 92 CO 0.48 -0.89 0.04 0.15 0.00 0.00 0.00 175.02 174.81 1c89 s LYS 93 N 1.48 2.89 -0.71 2.03 -0.14 0.35 -4.58 119.74 121.07 1c89 s LYS 93 Ca 0.03 -0.98 -0.26 0.00 -1.36 0.00 0.00 55.97 53.40 1c89 s LYS 93 Cb -0.22 -3.28 -0.00 0.00 -1.68 0.00 0.00 37.83 32.65 1c89 s LYS 93 CO 0.04 -0.49 1.67 0.00 -0.76 0.00 0.00 175.35 175.81 1c89 s ALA 94 N 1.42 2.33 0.23 5.17 0.00 -1.25 -0.67 121.76 128.98 1c89 s ALA 94 Ca 0.01 -1.06 0.10 0.00 0.00 0.00 0.00 51.96 51.00 1c89 s ALA 94 Cb -0.18 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.56 1c89 s ALA 94 CO 0.01 -3.79 -0.17 -1.83 0.00 0.00 0.00 175.76 169.97 1c89 s GLU 95 N 6.52 1.46 -0.54 0.00 -1.05 0.30 -4.60 118.70 120.79 1c89 s GLU 95 Ca 0.56 -1.64 -0.27 0.00 -0.15 0.00 0.00 54.97 53.47 1c89 s GLU 95 Cb -0.10 -1.40 -0.02 0.00 -0.44 0.00 0.00 34.13 32.17 1c89 s GLU 95 CO 0.15 0.25 1.85 -2.00 0.95 0.00 0.00 175.26 176.46 1c89 s GLU 96 N -3.50 2.79 -0.07 -4.83 -6.30 -1.26 0.11 118.70 105.64 1c89 s GLU 96 Ca 0.25 0.83 0.02 0.00 -2.50 0.00 0.00 54.97 53.56 1c89 s GLU 96 Cb -0.03 -4.34 0.02 0.00 0.00 0.00 0.00 34.13 29.77 1c89 s GLU 96 CO 0.10 -2.53 -0.11 0.08 0.02 0.00 0.00 175.26 172.83 1c89 s VAL 97 N 8.61 1.05 -0.10 3.70 1.01 -1.26 -4.90 120.40 128.52 1c89 s VAL 97 Ca 0.71 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1c89 s VAL 97 Cb -0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1c89 s VAL 97 CO 0.24 0.34 -0.06 -0.94 0.00 0.00 0.00 175.10 174.69 1c89 s SER 98 N 0.89 4.70 0.48 3.32 1.04 -1.26 -1.66 113.70 121.21 1c89 s SER 98 Ca -0.10 -0.05 -0.21 0.00 0.48 0.00 0.00 55.95 56.06 1c89 s SER 98 Cb -0.15 -1.39 -0.08 0.00 0.10 0.00 0.00 66.02 64.50 1c89 s SER 98 CO 0.01 0.30 1.06 -2.16 0.98 0.00 0.00 173.24 173.43 1c89 s PRO 99 N -0.43 3.81 0.02 4.02 0.04 -1.26 -5.09 135.00 136.10 1c89 s PRO 99 Ca 0.07 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1c89 s PRO 99 Cb -0.12 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1c89 s PRO 99 CO 0.02 -0.44 1.26 -1.59 0.04 0.00 0.00 177.00 176.29 1c89 s LYS 100 N -3.10 4.37 0.00 4.56 -2.85 -0.66 -4.99 119.74 117.07 1c89 s LYS 100 Ca 0.66 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 57.44 1c89 s LYS 100 Cb -0.19 -3.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 1c89 s LYS 100 CO 0.23 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.69 1c89 n GLY 101 N 3.38 1.64 3.43 0.59 0.00 -1.25 -4.93 105.19 108.04 1c89 n GLY 101 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 0.09 3.84 0.70 -0.61 1.01 -0.41 -4.80 121.20 121.04 1c89 s ILE 102 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1c89 s ILE 102 Cb 0.00 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1c89 s ILE 102 CO 0.00 0.44 1.08 -2.16 0.00 0.00 0.00 174.94 174.29 1c89 s PRO 103 N 0.99 2.73 -0.07 2.79 0.04 -1.26 -2.29 135.00 137.93 1c89 s PRO 103 Ca 0.01 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1c89 s PRO 103 Cb -0.14 -1.96 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 1c89 s PRO 103 CO 0.01 -1.27 3.51 -1.13 0.04 0.00 0.00 177.00 178.16 1c89 n SER 104 N -3.04 5.24 -0.06 6.66 3.41 -1.26 -4.40 113.62 120.17 1c89 n SER 104 Ca 0.09 -2.46 -0.03 0.00 -0.26 0.00 0.00 58.87 56.20 1c89 n SER 104 Cb 0.53 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 1c89 n SER 104 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1c89 h GLU 105 N 3.18 0.00 -0.47 4.33 5.08 -1.97 -3.38 114.58 121.35 1c89 h GLU 105 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1c89 h GLU 105 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1c89 h GLU 105 CO 0.31 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.83 1c89 n GLU 106 N -4.70 3.64 -0.29 2.33 1.02 -1.26 -4.61 120.64 116.77 1c89 n GLU 106 Ca -0.04 -2.83 0.10 0.00 -0.02 0.00 0.00 57.16 54.36 1c89 n GLU 106 Cb 0.15 -1.88 0.26 0.00 -0.02 0.00 0.00 31.44 29.94 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 3.05 0.51 -0.99 -3.67 6.09 -1.81 0.22 117.51 120.92 1c89 h ILE 107 Ca 0.00 -0.13 0.27 0.00 -1.37 0.00 0.00 64.86 63.63 1c89 h ILE 107 Cb 1.48 0.10 -0.13 0.00 0.47 0.00 0.00 36.82 38.74 1c89 h ILE 107 CO 0.26 0.07 0.55 -1.28 -3.07 0.00 0.00 178.15 174.68 1c89 h SER 108 N 0.38 0.56 1.30 2.19 0.87 -1.89 1.72 113.55 118.69 1c89 h SER 108 Ca 0.50 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 61.12 1c89 h SER 108 Cb 0.90 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1c89 h SER 108 CO -0.51 0.01 -0.48 0.50 -0.53 0.00 0.00 176.83 175.82 1c89 h LYS 109 N 0.47 0.00 -0.27 2.24 3.64 -0.95 -3.17 116.57 118.52 1c89 h LYS 109 Ca 0.66 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1c89 h LYS 109 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1c89 h LYS 109 CO -0.53 0.48 0.00 1.28 -2.27 0.00 0.00 179.45 178.41 1c89 n LEU 110 N -3.30 3.21 -4.76 5.20 4.77 0.24 -4.91 117.00 117.45 1c89 n LEU 110 Ca 0.01 -1.38 -0.41 0.00 -0.03 0.00 0.00 56.01 54.21 1c89 n LEU 110 Cb 0.68 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1c89 n LEU 110 CO 0.40 0.66 1.07 -0.69 -1.33 0.00 0.00 177.39 177.49 1c89 s VAL 111 N -1.52 2.60 -1.23 4.08 1.01 0.52 -1.81 120.40 124.06 1c89 s VAL 111 Ca 0.33 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1c89 s VAL 111 Cb 0.20 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1c89 s VAL 111 CO 0.29 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1c89 n GLY 112 N 1.58 1.25 3.82 4.51 0.00 0.42 -4.93 105.19 111.85 1c89 n GLY 112 Ca 0.04 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.90 4.19 -0.17 1.61 0.00 -0.75 -4.43 119.30 116.85 1c89 s MET 113 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 55.69 56.55 1c89 s MET 113 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 34.83 32.61 1c89 s MET 113 CO 0.00 -0.03 0.66 -0.65 0.00 0.00 0.00 175.02 175.00 1c89 s GLN 114 N -3.22 4.26 0.40 3.16 -0.21 -1.26 -2.43 119.66 120.35 1c89 s GLN 114 Ca 0.61 0.70 -0.15 0.00 0.02 0.00 0.00 55.36 56.54 1c89 s GLN 114 Cb -0.09 -3.56 -0.08 0.00 1.00 0.00 0.00 33.01 30.28 1c89 s GLN 114 CO 0.14 -0.20 0.83 0.54 -2.12 0.00 0.00 175.29 174.48 1c89 s VAL 115 N 1.77 4.63 -2.67 1.09 0.11 -1.26 -4.77 120.40 119.30 1c89 s VAL 115 Ca 0.31 1.01 0.23 0.00 -2.93 0.00 0.00 61.98 60.60 1c89 s VAL 115 Cb -0.16 -3.66 0.32 0.00 -1.53 0.00 0.00 36.38 31.35 1c89 s VAL 115 CO 0.11 -0.39 1.33 -3.20 -3.33 0.00 0.00 175.10 169.63 1c89 n ASN 116 N -0.89 3.26 -4.52 3.54 5.15 -1.22 -0.54 115.26 120.04 1c89 n ASN 116 Ca 0.04 -1.99 -0.25 0.00 -0.60 0.00 0.00 54.58 51.78 1c89 n ASN 116 Cb 0.54 -0.14 -0.10 0.00 -0.53 0.00 0.00 39.78 39.54 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c89 s ARG 117 N -1.69 1.82 0.11 1.20 1.81 -1.26 -4.72 118.95 116.22 1c89 s ARG 117 Ca 0.34 -2.04 -0.23 0.00 -1.72 0.00 0.00 55.73 52.09 1c89 s ARG 117 Cb 0.21 -1.19 -0.07 0.00 -0.45 0.00 0.00 34.95 33.45 1c89 s ARG 117 CO 0.31 -0.16 0.68 0.00 -0.68 0.00 0.00 175.30 175.45 1c89 s ALA 118 N -3.04 3.50 -0.04 2.13 0.00 -1.26 -3.89 121.76 119.16 1c89 s ALA 118 Ca 0.33 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.57 1c89 s ALA 118 Cb 0.08 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1c89 s ALA 118 CO 0.16 0.32 -0.24 0.08 0.00 0.00 0.00 175.76 176.08 1c89 s VAL 119 N -1.03 2.21 0.00 0.00 1.01 -0.80 -4.90 120.40 116.90 1c89 s VAL 119 Ca 0.33 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1c89 s VAL 119 Cb -0.21 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1c89 s VAL 119 CO 0.23 0.58 0.00 -1.22 0.00 0.00 0.00 175.10 174.68 1c89 n TYR 120 N 2.64 -1.35 0.00 5.22 4.01 -1.26 -1.48 117.16 124.94 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 -4.34 7.72 7.99 -1.26 -3.51 117.00 123.60 1c89 n LEU 121 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 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 1.49 -0.90 -1.51 0.00 0.00 177.39 176.47 1c89 n ASP 122 N 0.00 -0.95 -4.42 -1.43 5.68 -0.68 -4.56 116.55 110.18 1c89 n ASP 122 Ca 0.00 -1.17 -0.29 0.00 -0.50 0.00 0.00 54.79 52.82 1c89 n ASP 122 Cb 0.00 -0.82 -0.13 0.00 -1.14 0.00 0.00 41.12 39.03 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1c89 s GLN 123 N 6.71 1.61 -0.01 0.11 2.00 -0.90 -4.70 119.66 124.48 1c89 s GLN 123 Ca 0.76 -1.25 -0.30 0.00 -2.00 0.00 0.00 55.36 52.57 1c89 s GLN 123 Cb -0.38 -1.99 -0.04 0.00 0.80 0.00 0.00 33.01 31.40 1c89 s GLN 123 CO 0.27 0.47 1.11 0.99 -0.50 0.00 0.00 175.29 177.63 1c89 s THR 124 N -1.05 4.44 0.17 -0.34 2.01 -1.26 0.26 115.64 119.87 1c89 s THR 124 Ca 0.15 1.74 -0.31 0.00 0.31 0.00 0.00 61.69 63.59 1c89 s THR 124 Cb -0.10 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1c89 s THR 124 CO 0.07 0.08 1.41 -0.22 -0.69 0.00 0.00 174.62 175.27 1c89 s LEU 125 N 1.52 4.38 0.29 4.42 2.96 0.07 -4.89 118.68 127.44 1c89 s LEU 125 Ca 0.54 2.47 0.11 0.00 -0.22 0.00 0.00 54.13 57.04 1c89 s LEU 125 Cb -0.24 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1c89 s LEU 125 CO 0.25 -0.66 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.41 1c89 s MET 126 N 0.51 1.75 0.40 1.98 -1.94 -1.26 -1.28 119.30 119.45 1c89 s MET 126 Ca 0.63 -1.78 0.21 0.00 -1.71 0.00 0.00 55.69 53.03 1c89 s MET 126 Cb -0.39 -1.78 0.69 0.00 2.01 0.00 0.00 34.83 35.36 1c89 s MET 126 CO 0.35 0.29 1.73 -1.00 -0.01 0.00 0.00 175.02 176.38 1c89 h PRO 127 N 2.19 0.00 -0.00 2.03 0.13 -1.95 -2.85 132.00 131.55 1c89 h PRO 127 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c89 h PRO 127 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1c89 h PRO 127 CO 0.62 0.31 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 1c89 n ASP 128 N -3.39 0.00 -0.02 1.44 9.92 -1.26 -3.18 116.55 120.07 1c89 n ASP 128 Ca 0.00 -1.71 0.06 0.00 -0.53 0.00 0.00 54.79 52.62 1c89 n ASP 128 Cb 0.51 -0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1c89 n ASP 128 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1c89 n MET 129 N -0.64 0.66 -2.68 -1.24 1.56 -1.08 -4.95 117.12 108.75 1c89 n MET 129 Ca 0.07 -0.12 -0.27 0.00 -0.27 0.00 0.00 57.70 57.11 1c89 n MET 129 Cb 0.03 -1.55 0.01 0.00 2.15 0.00 0.00 33.22 33.86 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 -3.28 4.63 0.00 1.12 1.01 -1.19 -3.38 120.40 119.31 1c89 s VAL 130 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1c89 s VAL 130 Cb 0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1c89 s VAL 130 CO 0.88 -0.72 0.17 0.29 0.00 0.00 0.00 175.10 175.73 1c89 n LYS 131 N -2.27 0.00 -3.32 2.72 5.02 -1.26 -4.52 118.16 114.53 1c89 n LYS 131 Ca 0.01 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1c89 n LYS 131 Cb 0.56 -0.68 -0.01 0.00 -0.02 0.00 0.00 35.03 34.88 1c89 n LYS 131 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c89 n ASN 132 N -0.52 5.43 -4.75 4.39 2.85 -1.26 -5.04 115.26 116.35 1c89 n ASN 132 Ca 0.00 -3.15 -0.36 0.00 -0.11 0.00 0.00 54.58 50.96 1c89 n ASN 132 Cb 0.00 -1.27 0.05 0.00 1.24 0.00 0.00 39.78 39.80 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1c89 s TYR 133 N -1.68 2.31 -1.35 1.20 5.04 -1.26 -5.24 117.35 116.37 1c89 s TYR 133 Ca 0.31 1.53 0.11 0.00 -2.44 0.00 0.00 57.07 56.57 1c89 s TYR 133 Cb -0.05 -3.49 0.09 0.00 0.35 0.00 0.00 41.96 38.86 1c89 s TYR 133 CO -0.05 -2.33 0.84 -0.85 -1.34 0.00 0.00 175.55 171.83