#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 -1.72 -2.65 1.20 4.01 -1.26 -4.99 118.16 112.75 1c89 n LYS 2 Ca 0.00 -2.03 -0.40 0.00 -0.51 0.00 0.00 58.31 55.37 1c89 n LYS 2 Cb 0.00 -1.45 -0.05 0.00 -0.51 0.00 0.00 35.03 33.01 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 -3.77 3.35 0.42 7.82 0.00 -1.26 -4.66 121.76 123.66 1c89 s ALA 3 Ca 0.76 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.51 1c89 s ALA 3 Cb -0.03 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1c89 s ALA 3 CO 0.54 0.04 0.37 0.45 0.00 0.00 0.00 175.76 177.16 1c89 s SER 4 N -0.84 5.01 -0.81 0.00 0.15 -0.38 -4.28 113.70 112.55 1c89 s SER 4 Ca 0.44 -0.77 -0.25 0.00 0.70 0.00 0.00 55.95 56.07 1c89 s SER 4 Cb -0.28 -0.56 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1c89 s SER 4 CO 0.34 -0.65 1.29 -0.69 1.20 0.00 0.00 173.24 174.74 1c89 s VAL 5 N -2.48 3.85 -0.32 4.45 1.01 -0.32 -1.87 120.40 124.72 1c89 s VAL 5 Ca 0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1c89 s VAL 5 Cb -0.03 -4.93 0.04 0.00 0.00 0.00 0.00 36.38 31.46 1c89 s VAL 5 CO 0.28 -1.84 0.05 -0.69 0.00 0.00 0.00 175.10 172.90 1c89 s VAL 6 N 5.31 3.42 0.11 2.92 1.01 0.21 -0.97 120.40 132.41 1c89 s VAL 6 Ca 0.37 -1.23 -0.35 0.00 0.00 0.00 0.00 61.98 60.76 1c89 s VAL 6 Cb -0.07 -2.94 -0.15 0.00 0.00 0.00 0.00 36.38 33.22 1c89 s VAL 6 CO 0.07 -0.14 1.48 0.00 0.00 0.00 0.00 175.10 176.52 1c89 n ALA 7 N 4.73 0.26 0.08 5.51 0.00 0.93 -2.72 120.51 129.30 1c89 n ALA 7 Ca -0.13 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 1c89 n ALA 7 Cb 0.44 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 1c89 n ALA 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1c89 h ASN 8 N 5.44 0.61 -5.19 0.00 -1.24 -1.88 0.75 115.58 114.07 1c89 h ASN 8 Ca -0.46 -0.92 -0.40 0.00 0.71 0.00 0.00 56.30 55.23 1c89 h ASN 8 Cb 1.29 -0.20 0.08 0.00 0.73 0.00 0.00 38.32 40.22 1c89 h ASN 8 CO 0.84 1.65 0.11 0.00 -1.29 0.00 0.00 177.43 178.75 1c89 n GLN 9 N -3.81 -0.07 -3.28 6.67 10.64 -1.26 -2.56 117.38 123.70 1c89 n GLN 9 Ca -0.20 -2.35 -0.39 0.00 -1.83 0.00 0.00 57.00 52.23 1c89 n GLN 9 Cb 1.00 -0.61 -0.06 0.00 -0.86 0.00 0.00 30.24 29.71 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 4.50 -0.16 2.61 0.20 -1.26 -4.04 118.68 120.52 1c89 s LEU 10 Ca 0.58 1.20 -0.04 0.00 0.69 0.00 0.00 54.13 56.56 1c89 s LEU 10 Cb -0.03 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.83 1c89 s LEU 10 CO 0.39 0.24 -0.02 -0.63 -0.29 0.00 0.00 176.35 176.04 1c89 s ILE 11 N -0.88 4.01 0.00 6.68 1.09 -0.15 -4.95 121.20 127.01 1c89 s ILE 11 Ca 0.29 -0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 1c89 s ILE 11 Cb -0.19 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 1c89 s ILE 11 CO 0.18 0.49 0.00 -0.81 -0.10 0.00 0.00 174.94 174.69 1c89 n PRO 12 N 3.57 0.94 -2.94 2.79 -0.04 -1.26 0.25 135.00 138.32 1c89 n PRO 12 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1c89 n PRO 12 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.04 4.85 -0.42 0.52 1.09 -1.26 -3.75 121.20 122.19 1c89 s ILE 13 Ca 0.00 0.45 -0.18 0.00 -1.10 0.00 0.00 60.65 59.82 1c89 s ILE 13 Cb 0.00 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1c89 s ILE 13 CO 0.00 -0.51 0.46 -0.46 -0.10 0.00 0.00 174.94 174.33 1c89 n ASN 14 N -1.31 -3.69 -3.84 3.58 6.94 -0.56 -4.85 115.26 111.52 1c89 n ASN 14 Ca 0.01 -0.33 -0.18 0.00 -0.02 0.00 0.00 54.58 54.07 1c89 n ASN 14 Cb 0.54 -1.13 -0.16 0.00 -2.36 0.00 0.00 39.78 36.67 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1c89 s THR 15 N -1.63 0.28 -0.72 5.53 2.01 -1.26 -4.79 115.64 115.06 1c89 s THR 15 Ca 0.18 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 1c89 s THR 15 Cb -0.02 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.16 1c89 s THR 15 CO 0.63 0.16 1.44 0.00 -0.69 0.00 0.00 174.62 176.16 1c89 s ALA 16 N 0.95 2.59 0.66 7.40 0.00 -1.25 -3.42 121.76 128.69 1c89 s ALA 16 Ca -0.10 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 1c89 s ALA 16 Cb -0.14 -4.28 -0.07 0.00 0.00 0.00 0.00 23.12 18.63 1c89 s ALA 16 CO -0.01 -3.47 0.46 1.28 0.00 0.00 0.00 175.76 174.02 1c89 n LEU 17 N 10.26 0.42 0.00 0.00 4.77 -1.07 -4.24 117.00 127.15 1c89 n LEU 17 Ca 0.09 0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1c89 n LEU 17 Cb 0.50 -1.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 1c89 n LEU 17 CO 0.71 -3.25 -0.08 0.35 -1.33 0.00 0.00 177.39 173.79 1c89 n THR 18 N -2.08 0.00 -0.06 -5.08 -2.24 -1.26 0.25 114.28 103.81 1c89 n THR 18 Ca 0.10 -0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 60.91 1c89 n THR 18 Cb 0.49 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1c89 n THR 18 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1c89 h LEU 19 N 0.00 0.52 -1.45 3.22 -0.00 -1.95 -2.56 115.31 113.10 1c89 h LEU 19 Ca -0.15 -0.54 -0.05 0.00 -0.00 0.00 0.00 57.88 57.14 1c89 h LEU 19 Cb 0.44 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1c89 h LEU 19 CO 0.24 0.96 -0.25 0.40 -0.00 0.00 0.00 178.44 179.80 1c89 h ILE 20 N 0.10 0.81 -0.01 1.22 5.03 -2.02 -2.06 117.51 120.58 1c89 h ILE 20 Ca 0.01 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 1c89 h ILE 20 Cb 0.86 1.60 0.00 0.00 -3.03 0.00 0.00 36.82 36.25 1c89 h ILE 20 CO 0.06 0.24 -0.08 0.23 -0.68 0.00 0.00 178.15 177.92 1c89 n MET 21 N -3.71 1.11 -3.88 2.37 2.81 -1.16 -4.73 117.12 109.93 1c89 n MET 21 Ca -0.01 -0.52 -0.36 0.00 -1.81 0.00 0.00 57.70 55.01 1c89 n MET 21 Cb 0.36 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 1c89 n MET 21 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1c89 s MET 22 N -2.24 2.93 -0.10 0.03 0.00 -0.77 -3.52 119.30 115.62 1c89 s MET 22 Ca 0.34 -0.93 -0.00 0.00 0.00 0.00 0.00 55.69 55.09 1c89 s MET 22 Cb 0.20 -3.14 -0.03 0.00 0.00 0.00 0.00 34.83 31.87 1c89 s MET 22 CO 0.42 -0.42 -0.08 0.15 0.00 0.00 0.00 175.02 175.09 1c89 s LYS 23 N 1.39 3.12 -1.19 4.11 1.02 -1.10 -4.92 119.74 122.17 1c89 s LYS 23 Ca 0.01 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 1c89 s LYS 23 Cb -0.17 -2.67 0.22 0.00 -0.52 0.00 0.00 37.83 34.69 1c89 s LYS 23 CO -0.02 0.45 1.45 0.00 -0.92 0.00 0.00 175.35 176.31 1c89 n ALA 24 N 2.87 4.43 -2.83 5.17 0.00 -1.26 0.66 120.51 129.54 1c89 n ALA 24 Ca -0.18 -4.44 -0.31 0.00 0.00 0.00 0.00 53.44 48.51 1c89 n ALA 24 Cb 0.53 -2.80 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 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 0.03 3.13 -0.68 0.00 2.12 -0.78 -4.55 118.70 117.96 1c89 s GLU 25 Ca 0.38 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.93 1c89 s GLU 25 Cb -0.01 -2.87 0.08 0.00 0.26 0.00 0.00 34.13 31.58 1c89 s GLU 25 CO -0.00 0.60 0.96 0.08 -0.54 0.00 0.00 175.26 176.36 1c89 s VAL 26 N -1.41 4.39 0.04 3.70 1.01 -1.26 -1.25 120.40 125.63 1c89 s VAL 26 Ca 0.30 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1c89 s VAL 26 Cb -0.12 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 1c89 s VAL 26 CO 0.23 -1.44 -0.01 0.68 0.00 0.00 0.00 175.10 174.56 1c89 s VAL 27 N 3.84 0.17 0.11 2.92 -7.23 -1.26 -4.98 120.40 113.97 1c89 s VAL 27 Ca 0.22 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1c89 s VAL 27 Cb -0.16 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1c89 s VAL 27 CO 0.08 -0.79 0.30 0.28 -0.31 0.00 0.00 175.10 174.66 1c89 s THR 28 N -3.05 5.27 0.79 5.32 -1.32 -1.26 -3.80 115.64 117.58 1c89 s THR 28 Ca -0.01 -0.18 -0.12 0.00 -1.21 0.00 0.00 61.69 60.17 1c89 s THR 28 Cb 0.02 -3.63 0.06 0.00 -1.51 0.00 0.00 72.50 67.44 1c89 s THR 28 CO -0.07 0.07 1.10 -2.16 -2.21 0.00 0.00 174.62 171.35 1c89 s PRO 29 N -2.64 2.17 -1.06 7.08 0.04 -1.26 -5.01 135.00 134.32 1c89 s PRO 29 Ca 0.38 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 1c89 s PRO 29 Cb -0.12 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1c89 s PRO 29 CO 0.26 -1.55 1.84 0.00 0.04 0.00 0.00 177.00 177.59 1c89 s MET 30 N -5.20 2.87 0.00 4.56 0.23 -1.25 -4.94 119.30 115.58 1c89 s MET 30 Ca 0.60 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 54.35 1c89 s MET 30 Cb -0.14 -5.23 0.00 0.00 -1.53 0.00 0.00 34.83 27.94 1c89 s MET 30 CO 0.54 -3.25 0.00 0.41 -2.03 0.00 0.00 175.02 170.69 1c89 n GLY 31 N 6.35 -3.18 3.75 3.16 0.00 -1.26 -4.88 105.19 109.13 1c89 n GLY 31 Ca 0.42 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 4.07 1.05 -0.61 1.01 -0.95 -4.89 121.20 120.88 1c89 s ILE 32 Ca 0.00 2.05 -0.16 0.00 0.00 0.00 0.00 60.65 62.54 1c89 s ILE 32 Cb 0.00 -4.29 0.22 0.00 0.01 0.00 0.00 42.46 38.40 1c89 s ILE 32 CO 0.00 0.47 1.17 -2.16 0.00 0.00 0.00 174.94 174.42 1c89 s PRO 33 N -1.26 -0.03 -0.15 2.79 0.04 -1.26 -1.17 135.00 133.95 1c89 s PRO 33 Ca 0.42 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.52 1c89 s PRO 33 Cb -0.26 -1.73 0.51 0.00 0.04 0.00 0.00 34.50 33.07 1c89 s PRO 33 CO 0.32 -2.93 1.29 0.00 0.04 0.00 0.00 177.00 175.72 1c89 n ALA 34 N -4.21 3.41 -0.16 8.56 0.00 -1.26 -4.30 120.51 122.54 1c89 n ALA 34 Ca 0.11 -1.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.23 1c89 n ALA 34 Cb 0.59 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 1c89 n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1c89 h GLU 35 N 2.45 0.85 -0.99 0.00 4.81 -1.94 -2.77 114.58 116.99 1c89 h GLU 35 Ca 0.01 -0.29 -0.38 0.00 -0.13 0.00 0.00 59.36 58.57 1c89 h GLU 35 Cb 1.46 -0.07 -0.23 0.00 0.63 0.00 0.00 28.75 30.54 1c89 h GLU 35 CO 0.32 0.92 0.48 -0.85 -0.73 0.00 0.00 179.01 179.15 1c89 n GLU 36 N -4.32 2.02 -0.31 1.92 0.00 -1.26 -4.64 120.64 114.04 1c89 n GLU 36 Ca 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 57.16 54.89 1c89 n GLU 36 Cb 0.33 -1.90 0.08 0.00 0.00 0.00 0.00 31.44 29.95 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1c89 h ILE 37 N 0.84 0.09 0.00 3.84 1.08 -1.77 2.14 117.51 123.73 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 2.40 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1c89 h ILE 37 CO 0.82 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.47 1c89 n PRO 38 N -5.52 0.19 -0.08 2.37 -0.04 -1.26 -1.40 135.00 129.26 1c89 n PRO 38 Ca 0.11 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1c89 n PRO 38 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.30 1.64 0.06 3.54 3.02 0.68 -4.49 115.26 118.40 1c89 n ASN 39 Ca 0.07 0.28 0.10 0.00 -0.03 0.00 0.00 54.58 54.99 1c89 n ASN 39 Cb 0.12 -0.65 0.40 0.00 -0.61 0.00 0.00 39.78 39.05 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c89 n LEU 40 N -4.11 0.30 -4.76 3.41 4.77 0.14 -4.72 117.00 112.02 1c89 n LEU 40 Ca -0.27 0.57 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 1c89 n LEU 40 Cb 0.61 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1c89 n LEU 40 CO 0.09 -0.35 0.80 -0.69 -1.33 0.00 0.00 177.39 175.91 1c89 s VAL 41 N -3.13 2.93 0.00 4.08 1.01 -0.49 -2.53 120.40 122.27 1c89 s VAL 41 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1c89 s VAL 41 Cb 0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1c89 s VAL 41 CO 0.34 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1c89 n GLY 42 N 0.23 0.17 3.75 4.51 0.00 0.70 -4.81 105.19 109.74 1c89 n GLY 42 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.21 4.54 0.03 1.61 1.00 -1.05 -3.93 119.30 120.29 1c89 s MET 43 Ca 0.00 1.86 -0.23 0.00 0.00 0.00 0.00 55.69 57.32 1c89 s MET 43 Cb 0.00 -3.22 -0.06 0.00 0.00 0.00 0.00 34.83 31.55 1c89 s MET 43 CO 0.00 0.01 0.69 -0.65 0.00 0.00 0.00 175.02 175.07 1c89 s GLN 44 N -0.69 4.42 0.61 2.03 -0.21 -1.22 -2.59 119.66 122.01 1c89 s GLN 44 Ca 0.50 0.92 -0.06 0.00 0.02 0.00 0.00 55.36 56.74 1c89 s GLN 44 Cb -0.32 -3.34 0.01 0.00 1.00 0.00 0.00 33.01 30.35 1c89 s GLN 44 CO 0.39 0.35 0.93 0.14 -2.12 0.00 0.00 175.29 174.97 1c89 s VAL 45 N -0.21 3.53 -0.20 1.09 -7.23 -1.24 -4.55 120.40 111.59 1c89 s VAL 45 Ca 0.35 0.02 0.17 0.00 -1.81 0.00 0.00 61.98 60.72 1c89 s VAL 45 Cb -0.20 -3.42 0.05 0.00 0.56 0.00 0.00 36.38 33.37 1c89 s VAL 45 CO 0.21 -0.44 1.28 -1.13 -0.31 0.00 0.00 175.10 174.70 1c89 h ASN 46 N -0.25 0.00 -5.33 4.85 -0.73 -1.78 -1.49 115.58 110.85 1c89 h ASN 46 Ca -0.45 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.61 1c89 h ASN 46 Cb 1.26 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.74 1c89 h ASN 46 CO 0.61 0.39 -0.25 0.00 -0.37 0.00 0.00 177.43 177.81 1c89 s ARG 47 N -3.03 1.44 0.38 6.67 1.70 -1.26 -4.61 118.95 120.24 1c89 s ARG 47 Ca 0.02 -1.34 -0.27 0.00 -0.47 0.00 0.00 55.73 53.67 1c89 s ARG 47 Cb 0.08 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.78 1c89 s ARG 47 CO 0.76 -0.57 1.30 0.00 -1.08 0.00 0.00 175.30 175.70 1c89 s ALA 48 N -4.05 3.34 0.08 7.88 0.00 -1.25 -4.43 121.76 123.33 1c89 s ALA 48 Ca 0.26 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.55 1c89 s ALA 48 Cb 0.01 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1c89 s ALA 48 CO 0.09 -0.75 -0.25 0.08 0.00 0.00 0.00 175.76 174.94 1c89 s VAL 49 N -1.23 2.35 1.14 0.00 1.01 0.70 -4.95 120.40 119.42 1c89 s VAL 49 Ca 0.54 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1c89 s VAL 49 Cb -0.38 -1.99 0.28 0.00 0.00 0.00 0.00 36.38 34.29 1c89 s VAL 49 CO 0.50 0.23 1.04 -0.81 0.00 0.00 0.00 175.10 176.06 1c89 n PRO 50 N 1.31 -2.88 -2.29 2.72 -0.04 -1.26 -0.98 135.00 131.58 1c89 n PRO 50 Ca -0.17 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.32 1c89 n PRO 50 Cb 0.52 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 3.51 -1.52 1.53 1.02 -1.26 -3.76 118.68 118.20 1c89 s LEU 51 Ca 0.67 1.43 -0.01 0.00 0.02 0.00 0.00 54.13 56.24 1c89 s LEU 51 Cb -0.06 -4.40 0.00 0.00 0.02 0.00 0.00 46.19 41.75 1c89 s LEU 51 CO 0.51 -0.66 0.09 0.61 0.02 0.00 0.00 176.35 176.92 1c89 n GLY 52 N -1.99 -0.50 3.74 -3.19 0.00 0.25 -4.93 105.19 98.57 1c89 n GLY 52 Ca 0.06 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.93 4.89 0.71 2.61 2.01 -0.80 -4.74 115.64 117.40 1c89 s THR 53 Ca 0.05 1.45 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 1c89 s THR 53 Cb -0.02 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1c89 s THR 53 CO 0.06 0.34 1.06 0.28 -0.69 0.00 0.00 174.62 175.68 1c89 s THR 54 N 0.19 3.90 -0.51 -0.82 -1.32 -1.26 -0.05 115.64 115.77 1c89 s THR 54 Ca 0.36 0.62 -0.28 0.00 -1.21 0.00 0.00 61.69 61.18 1c89 s THR 54 Cb -0.19 -3.36 -0.00 0.00 -1.51 0.00 0.00 72.50 67.44 1c89 s THR 54 CO 0.19 -0.81 1.60 -0.22 -2.21 0.00 0.00 174.62 173.17 1c89 s LEU 55 N -5.57 3.42 -0.13 9.08 0.20 -0.14 -4.82 118.68 120.71 1c89 s LEU 55 Ca 0.58 0.56 -0.06 0.00 0.69 0.00 0.00 54.13 55.91 1c89 s LEU 55 Cb -0.14 -3.08 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 1c89 s LEU 55 CO 0.55 -1.84 0.08 -0.04 -0.29 0.00 0.00 176.35 174.81 1c89 s MET 56 N 5.83 3.45 0.49 1.98 -1.94 -1.26 -2.23 119.30 125.62 1c89 s MET 56 Ca 0.62 -0.27 0.31 0.00 -1.71 0.00 0.00 55.69 54.64 1c89 s MET 56 Cb -0.14 -3.08 1.15 0.00 2.01 0.00 0.00 34.83 34.77 1c89 s MET 56 CO 0.27 0.62 1.89 -1.00 -0.01 0.00 0.00 175.02 176.78 1c89 h PRO 57 N 5.50 0.00 0.01 2.03 0.13 -1.94 -2.73 132.00 135.00 1c89 h PRO 57 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1c89 h PRO 57 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c89 h PRO 57 CO 0.60 0.00 -0.92 0.22 -0.23 0.00 0.00 178.00 177.67 1c89 h ASP 58 N 0.00 0.33 0.11 1.44 1.82 -1.97 -3.14 116.42 115.01 1c89 h ASP 58 Ca 0.00 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1c89 h ASP 58 Cb 0.58 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1c89 h ASP 58 CO 0.00 1.09 -0.16 0.23 -1.61 0.00 0.00 179.24 178.79 1c89 n MET 59 N -3.66 1.28 -4.81 0.28 2.81 -1.13 -4.81 117.12 107.07 1c89 n MET 59 Ca -0.05 -0.80 -0.32 0.00 -1.81 0.00 0.00 57.70 54.72 1c89 n MET 59 Cb 0.83 -1.48 -0.16 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.27 2.15 0.00 2.03 1.01 -1.04 -2.07 120.40 120.20 1c89 s VAL 60 Ca 0.29 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 60 Cb 0.20 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1c89 s VAL 60 CO 0.44 0.55 0.00 0.29 0.00 0.00 0.00 175.10 176.38 1c89 n LYS 61 N 3.90 0.00 -2.97 2.72 4.01 -1.26 -4.51 118.16 120.04 1c89 n LYS 61 Ca -0.20 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.16 1c89 n LYS 61 Cb 0.52 -0.14 -0.00 0.00 -0.51 0.00 0.00 35.03 34.90 1c89 n LYS 61 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1c89 s ASN 62 N -1.47 7.07 0.03 4.39 2.47 -1.24 -4.83 114.94 121.36 1c89 s ASN 62 Ca 0.00 -2.99 -0.25 0.00 0.42 0.00 0.00 52.86 50.04 1c89 s ASN 62 Cb 0.00 -2.39 -0.18 0.00 -1.45 0.00 0.00 41.25 37.24 1c89 s ASN 62 CO 0.00 -0.73 1.49 0.10 -3.72 0.00 0.00 177.10 174.25 1c89 h TYR 63 N 7.20 -0.02 0.00 0.43 -0.00 -1.95 -3.49 116.97 119.14 1c89 h TYR 63 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 1c89 h TYR 63 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.62 1c89 h TYR 63 CO 1.08 0.23 0.00 -0.85 -0.00 0.00 0.00 178.16 178.62 1c89 n GLU 64 N -4.98 -2.87 -0.82 0.10 0.28 -1.26 -4.00 120.64 107.09 1c89 n GLU 64 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.75 1c89 n GLU 64 Cb 0.15 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.94 1c89 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1c89 n ASP 65 N 0.92 4.90 -0.12 -1.84 8.00 -1.26 -4.32 116.55 122.83 1c89 n ASP 65 Ca 0.00 -2.30 0.14 0.00 0.71 0.00 0.00 54.79 53.35 1c89 n ASP 65 Cb 0.00 -1.13 0.61 0.00 -0.02 0.00 0.00 41.12 40.59 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 3.12 -0.94 3.96 0.44 0.00 -1.26 -4.85 105.19 105.66 1c89 n GLY 66 Ca 0.42 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.47 3.85 0.00 2.61 -4.23 -1.26 -5.11 115.64 109.03 1c89 s THR 67 Ca 0.29 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1c89 s THR 67 Cb 0.20 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1c89 s THR 67 CO 0.47 -0.27 0.00 1.07 -0.54 0.00 0.00 174.62 175.35 1c89 n THR 68 N -2.06 0.00 -1.97 3.99 5.66 -1.26 -4.94 114.28 113.70 1c89 n THR 68 Ca 0.02 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.65 1c89 n THR 68 Cb 0.58 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.39 1c89 n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1c89 s SER 69 N -1.04 5.48 0.00 1.09 0.15 -1.26 -5.00 113.70 113.13 1c89 s SER 69 Ca 0.00 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1c89 s SER 69 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1c89 s SER 69 CO 0.00 -1.40 0.00 -0.81 1.20 0.00 0.00 173.24 172.23 1c89 n PRO 70 N -1.03 0.00 0.00 5.44 -0.04 -1.26 -4.81 135.00 133.30 1c89 n PRO 70 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1c89 n PRO 70 Cb 0.47 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 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 1.61 2.37 0.55 0.00 -1.26 -4.26 105.19 106.32 1c89 n GLY 71 Ca 0.00 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 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 6.52 -4.63 0.99 4.77 -1.26 -4.92 117.00 118.47 1c89 n LEU 72 Ca 0.00 -4.00 -0.43 0.00 -0.03 0.00 0.00 56.01 51.55 1c89 n LEU 72 Cb 0.00 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1c89 n LEU 72 CO 0.00 1.79 1.03 -1.59 -1.33 0.00 0.00 177.39 177.29 1c89 s LYS 73 N -0.86 3.92 0.48 3.23 -2.85 -1.26 -4.59 119.74 117.82 1c89 s LYS 73 Ca 0.61 0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 56.39 1c89 s LYS 73 Cb 0.33 -3.83 -0.09 0.00 -2.06 0.00 0.00 37.83 32.19 1c89 s LYS 73 CO -0.15 -1.11 0.96 -1.54 0.10 0.00 0.00 175.35 173.62 1c89 s SER 74 N 2.25 6.72 0.04 0.03 1.04 0.49 -4.10 113.70 120.16 1c89 s SER 74 Ca 0.50 1.58 -0.30 0.00 0.48 0.00 0.00 55.95 58.21 1c89 s SER 74 Cb -0.12 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 1c89 s SER 74 CO 0.22 -0.51 1.66 -0.69 0.98 0.00 0.00 173.24 174.91 1c89 s VAL 75 N -2.47 3.18 -0.12 5.02 1.01 -1.03 -1.71 120.40 124.28 1c89 s VAL 75 Ca 0.59 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1c89 s VAL 75 Cb -0.10 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1c89 s VAL 75 CO 0.26 -0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.51 1c89 s VAL 76 N 3.06 2.94 -0.82 2.92 1.01 0.81 0.63 120.40 130.95 1c89 s VAL 76 Ca 0.74 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1c89 s VAL 76 Cb -0.38 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1c89 s VAL 76 CO 0.32 0.54 1.62 0.00 0.00 0.00 0.00 175.10 177.57 1c89 s ALA 77 N 0.21 2.35 0.35 5.51 0.00 0.34 -0.10 121.76 130.43 1c89 s ALA 77 Ca -0.09 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.47 1c89 s ALA 77 Cb -0.15 -4.41 0.71 0.00 0.00 0.00 0.00 23.12 19.26 1c89 s ALA 77 CO 0.05 -3.87 1.95 -0.97 0.00 0.00 0.00 175.76 172.93 1c89 h ASN 78 N 11.47 0.70 -0.88 0.00 -0.00 -1.75 0.78 115.58 125.91 1c89 h ASN 78 Ca -0.07 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.67 1c89 h ASN 78 Cb 1.06 -0.15 -0.05 0.00 -0.00 0.00 0.00 38.32 39.18 1c89 h ASN 78 CO 1.29 0.46 -0.34 0.00 -0.00 0.00 0.00 177.43 178.83 1c89 s GLN 79 N -5.71 2.30 -0.12 6.67 -2.07 -1.26 -1.46 119.66 118.02 1c89 s GLN 79 Ca -0.10 -1.91 -0.05 0.00 -1.82 0.00 0.00 55.36 51.48 1c89 s GLN 79 Cb 0.19 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.94 1c89 s GLN 79 CO 0.78 -0.47 0.09 -1.17 -1.32 0.00 0.00 175.29 173.19 1c89 s LEU 80 N -4.20 4.05 -0.08 2.60 0.20 -1.22 -3.95 118.68 116.07 1c89 s LEU 80 Ca 0.37 0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.55 1c89 s LEU 80 Cb -0.02 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.77 1c89 s LEU 80 CO 0.23 0.36 -0.23 0.27 -0.29 0.00 0.00 176.35 176.69 1c89 s ILE 81 N -0.76 1.94 -1.32 6.68 -5.25 -0.88 -4.96 121.20 116.65 1c89 s ILE 81 Ca 0.13 -0.97 -0.16 0.00 -0.99 0.00 0.00 60.65 58.66 1c89 s ILE 81 Cb -0.12 -1.68 0.00 0.00 2.95 0.00 0.00 42.46 43.62 1c89 s ILE 81 CO 0.03 0.54 2.14 -0.81 -1.79 0.00 0.00 174.94 175.04 1c89 n PRO 82 N 3.40 2.61 -1.47 0.37 -0.04 -1.26 -2.34 135.00 136.27 1c89 n PRO 82 Ca -0.19 -2.51 0.03 0.00 -0.04 0.00 0.00 63.50 60.80 1c89 n PRO 82 Cb 0.53 -3.24 -0.02 0.00 -0.04 0.00 0.00 33.50 30.72 1c89 n PRO 82 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1c89 n ILE 83 N 5.39 -2.11 -3.27 0.52 2.08 -1.26 -4.83 119.36 115.89 1c89 n ILE 83 Ca 0.51 1.15 -0.10 0.00 0.56 0.00 0.00 62.75 64.88 1c89 n ILE 83 Cb 0.40 -1.89 0.01 0.00 -0.75 0.00 0.00 39.64 37.41 1c89 n ILE 83 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1c89 n ASN 84 N -2.92 -6.31 -3.47 4.38 5.03 0.40 -4.96 115.26 107.42 1c89 n ASN 84 Ca -0.02 0.27 -0.21 0.00 0.87 0.00 0.00 54.58 55.49 1c89 n ASN 84 Cb 0.46 -1.60 -0.12 0.00 -1.02 0.00 0.00 39.78 37.49 1c89 n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 85 N -1.11 -0.28 -0.87 3.41 2.01 -1.25 -4.83 115.64 112.71 1c89 s THR 85 Ca 0.09 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 1c89 s THR 85 Cb -0.01 -0.90 -0.22 0.00 0.01 0.00 0.00 72.50 71.38 1c89 s THR 85 CO 0.22 -0.48 2.30 0.00 -0.69 0.00 0.00 174.62 175.97 1c89 n ALA 86 N 5.29 0.65 -2.43 7.40 0.00 -1.24 -4.10 120.51 126.09 1c89 n ALA 86 Ca -0.04 -1.17 -0.40 0.00 0.00 0.00 0.00 53.44 51.82 1c89 n ALA 86 Cb 0.46 -2.91 -0.05 0.00 0.00 0.00 0.00 19.45 16.95 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 8.85 4.44 0.37 0.00 2.34 -0.58 -4.69 118.68 129.41 1c89 s LEU 87 Ca 1.08 1.52 0.08 0.00 0.06 0.00 0.00 54.13 56.87 1c89 s LEU 87 Cb -0.42 -3.33 -0.07 0.00 -0.56 0.00 0.00 46.19 41.82 1c89 s LEU 87 CO 0.28 -0.04 -0.05 0.42 -1.06 0.00 0.00 176.35 175.89 1c89 s THR 88 N 0.14 2.12 0.50 5.48 -4.23 -1.26 0.18 115.64 118.58 1c89 s THR 88 Ca 0.42 -2.13 0.34 0.00 -1.18 0.00 0.00 61.69 59.14 1c89 s THR 88 Cb -0.21 -2.77 0.54 0.00 1.34 0.00 0.00 72.50 71.41 1c89 s THR 88 CO 0.24 -0.13 1.73 0.17 -0.54 0.00 0.00 174.62 176.09 1c89 h LEU 89 N 1.94 0.13 -0.78 4.79 -0.00 -1.95 1.05 115.31 120.49 1c89 h LEU 89 Ca -0.43 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.42 1c89 h LEU 89 Cb 1.25 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.90 1c89 h LEU 89 CO 0.74 -0.02 0.14 -0.37 -0.00 0.00 0.00 178.44 178.93 1c89 h VAL 90 N 0.09 1.26 0.00 0.15 -1.51 -2.01 -2.88 116.25 111.35 1c89 h VAL 90 Ca 0.68 -0.97 -0.16 0.00 -1.23 0.00 0.00 66.70 65.02 1c89 h VAL 90 Cb 2.44 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 32.17 1c89 h VAL 90 CO -0.14 0.37 -1.03 0.24 -1.23 0.00 0.00 177.57 175.78 1c89 h MET 91 N 1.00 0.00 -6.07 5.19 2.86 0.58 -3.46 114.93 115.04 1c89 h MET 91 Ca 0.21 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.19 1c89 h MET 91 Cb 0.38 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.93 1c89 h MET 91 CO 0.01 0.47 -0.60 0.00 1.06 0.00 0.00 176.91 177.85 1c89 s MET 92 N -2.89 2.95 -0.21 1.72 0.00 0.81 -3.19 119.30 118.49 1c89 s MET 92 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 55.69 55.16 1c89 s MET 92 Cb 0.08 -2.78 0.05 0.00 0.00 0.00 0.00 34.83 32.18 1c89 s MET 92 CO 0.79 0.63 -0.11 0.15 0.00 0.00 0.00 175.02 176.48 1c89 s LYS 93 N -1.74 2.09 -0.69 3.16 1.02 0.86 -4.59 119.74 119.86 1c89 s LYS 93 Ca 0.22 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 55.00 1c89 s LYS 93 Cb -0.12 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1c89 s LYS 93 CO 0.13 -0.45 1.44 0.00 -0.92 0.00 0.00 175.35 175.55 1c89 s ALA 94 N 1.34 2.61 0.30 5.17 0.00 -1.26 -0.14 121.76 129.78 1c89 s ALA 94 Ca -0.03 -1.13 0.09 0.00 0.00 0.00 0.00 51.96 50.90 1c89 s ALA 94 Cb -0.17 -4.26 -0.06 0.00 0.00 0.00 0.00 23.12 18.63 1c89 s ALA 94 CO -0.08 -3.42 -0.10 -1.21 0.00 0.00 0.00 175.76 170.95 1c89 s GLU 95 N 6.05 1.68 -1.20 0.00 2.02 -0.69 -4.74 118.70 121.82 1c89 s GLU 95 Ca 0.45 -1.84 -0.20 0.00 0.02 0.00 0.00 54.97 53.40 1c89 s GLU 95 Cb -0.09 -1.51 0.06 0.00 0.10 0.00 0.00 34.13 32.69 1c89 s GLU 95 CO 0.17 0.14 1.64 -2.00 0.02 0.00 0.00 175.26 175.23 1c89 s GLU 96 N -3.63 3.83 0.14 1.61 -6.30 -1.26 -0.38 118.70 112.71 1c89 s GLU 96 Ca 0.30 -1.67 0.04 0.00 -2.50 0.00 0.00 54.97 51.14 1c89 s GLU 96 Cb 0.01 -5.47 -0.04 0.00 0.00 0.00 0.00 34.13 28.63 1c89 s GLU 96 CO 0.14 -2.25 -0.09 0.54 0.02 0.00 0.00 175.26 173.62 1c89 s VAL 97 N 4.55 1.04 0.33 3.70 0.11 -1.26 -4.86 120.40 124.01 1c89 s VAL 97 Ca 0.51 -2.03 0.08 0.00 -2.93 0.00 0.00 61.98 57.61 1c89 s VAL 97 Cb 0.02 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1c89 s VAL 97 CO 0.01 -0.76 0.19 -0.94 -3.33 0.00 0.00 175.10 170.28 1c89 s SER 98 N -3.14 4.92 0.99 3.54 1.04 -1.26 -4.39 113.70 115.40 1c89 s SER 98 Ca 0.16 -0.65 -0.15 0.00 0.48 0.00 0.00 55.95 55.80 1c89 s SER 98 Cb 0.03 -0.85 0.19 0.00 0.10 0.00 0.00 66.02 65.49 1c89 s SER 98 CO -0.00 -0.29 1.18 -2.16 0.98 0.00 0.00 173.24 172.94 1c89 s PRO 99 N -3.89 0.51 -1.16 4.02 0.04 -1.26 -4.89 135.00 128.37 1c89 s PRO 99 Ca 0.38 0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 1c89 s PRO 99 Cb -0.04 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1c89 s PRO 99 CO 0.24 -2.58 1.74 0.15 0.04 0.00 0.00 177.00 176.59 1c89 s LYS 100 N -5.46 3.39 0.00 4.56 -0.14 -1.26 -4.88 119.74 115.95 1c89 s LYS 100 Ca 0.68 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.89 1c89 s LYS 100 Cb -0.11 -5.37 0.00 0.00 -1.68 0.00 0.00 37.83 30.67 1c89 s LYS 100 CO 0.54 -2.76 0.00 0.41 -0.76 0.00 0.00 175.35 172.78 1c89 n GLY 101 N 6.03 0.80 3.33 -3.33 0.00 -1.25 -4.90 105.19 105.87 1c89 n GLY 101 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 3.80 1.11 -0.61 1.01 -0.06 -4.78 121.20 121.67 1c89 s ILE 102 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 1c89 s ILE 102 Cb 0.00 -2.91 0.25 0.00 0.01 0.00 0.00 42.46 39.81 1c89 s ILE 102 CO 0.00 0.16 1.17 -2.16 0.00 0.00 0.00 174.94 174.12 1c89 s PRO 103 N 1.49 -0.48 -0.25 2.79 0.04 -1.26 -2.47 135.00 134.86 1c89 s PRO 103 Ca 0.03 -0.13 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 1c89 s PRO 103 Cb -0.17 -1.69 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1c89 s PRO 103 CO 0.01 -3.21 2.17 -1.13 0.04 0.00 0.00 177.00 174.88 1c89 n SER 104 N -4.39 6.19 0.03 6.66 3.41 -1.26 -4.38 113.62 119.88 1c89 n SER 104 Ca 0.13 -2.92 -0.19 0.00 -0.26 0.00 0.00 58.87 55.63 1c89 n SER 104 Cb 0.59 -1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 1c89 n SER 104 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1c89 h GLU 105 N 1.60 0.53 -0.03 4.33 4.11 -1.95 -3.36 114.58 119.82 1c89 h GLU 105 Ca 0.24 -0.60 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1c89 h GLU 105 Cb 0.94 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1c89 h GLU 105 CO 0.60 1.23 0.00 0.39 0.07 0.00 0.00 179.01 181.29 1c89 n GLU 106 N -4.04 0.19 -0.34 1.06 1.02 -1.26 -4.67 120.64 112.60 1c89 n GLU 106 Ca -0.11 -0.94 0.20 0.00 -0.02 0.00 0.00 57.16 56.29 1c89 n GLU 106 Cb 0.79 -1.10 0.42 0.00 -0.02 0.00 0.00 31.44 31.53 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 0.92 0.46 -1.06 -3.67 6.09 -1.79 0.51 117.51 118.97 1c89 h ILE 107 Ca 0.00 -0.17 0.29 0.00 -1.37 0.00 0.00 64.86 63.61 1c89 h ILE 107 Cb 0.26 -0.08 -0.06 0.00 0.47 0.00 0.00 36.82 37.41 1c89 h ILE 107 CO 0.00 0.09 0.74 -1.28 -3.07 0.00 0.00 178.15 174.63 1c89 h SER 108 N 0.50 0.16 0.36 2.19 0.87 -1.83 0.66 113.55 116.47 1c89 h SER 108 Ca 0.68 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.26 1c89 h SER 108 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1c89 h SER 108 CO -0.52 0.03 -1.34 1.17 -0.53 0.00 0.00 176.83 175.64 1c89 n LYS 109 N -4.36 0.45 -0.36 2.24 4.81 0.17 -4.09 118.16 117.02 1c89 n LYS 109 Ca 0.24 -0.04 0.08 0.00 -0.87 0.00 0.00 58.31 57.72 1c89 n LYS 109 Cb 1.04 -1.61 0.26 0.00 0.02 0.00 0.00 35.03 34.74 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 -2.16 3.73 -4.75 3.14 4.77 0.14 -4.96 117.00 116.91 1c89 n LEU 110 Ca -0.00 -2.22 -0.41 0.00 -0.03 0.00 0.00 56.01 53.34 1c89 n LEU 110 Cb 0.49 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1c89 n LEU 110 CO 0.42 0.81 1.13 -0.69 -1.33 0.00 0.00 177.39 177.73 1c89 s VAL 111 N -1.41 2.55 -0.96 4.08 1.01 0.18 -1.70 120.40 124.15 1c89 s VAL 111 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1c89 s VAL 111 Cb 0.23 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1c89 s VAL 111 CO 0.21 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1c89 n GLY 112 N 2.17 1.07 3.80 4.51 0.00 0.48 -4.91 105.19 112.32 1c89 n GLY 112 Ca 0.07 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.72 3.17 -0.19 1.61 0.00 -0.69 -4.28 119.30 116.21 1c89 s MET 113 Ca 0.00 1.19 -0.15 0.00 0.00 0.00 0.00 55.69 56.73 1c89 s MET 113 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 34.83 32.77 1c89 s MET 113 CO 0.00 -0.93 0.34 -0.65 0.00 0.00 0.00 175.02 173.78 1c89 s GLN 114 N -4.23 4.20 0.27 3.16 -0.21 -1.26 -1.53 119.66 120.05 1c89 s GLN 114 Ca 0.63 0.12 -0.14 0.00 0.02 0.00 0.00 55.36 56.00 1c89 s GLN 114 Cb -0.16 -3.49 -0.08 0.00 1.00 0.00 0.00 33.01 30.27 1c89 s GLN 114 CO 0.40 0.08 0.66 0.54 -2.12 0.00 0.00 175.29 174.85 1c89 s VAL 115 N 0.97 4.76 -2.70 1.09 0.11 -1.26 -4.82 120.40 118.54 1c89 s VAL 115 Ca 0.17 0.83 0.23 0.00 -2.93 0.00 0.00 61.98 60.28 1c89 s VAL 115 Cb -0.14 -3.65 0.30 0.00 -1.53 0.00 0.00 36.38 31.36 1c89 s VAL 115 CO 0.06 -0.06 1.32 -3.20 -3.33 0.00 0.00 175.10 169.89 1c89 n ASN 116 N -0.06 3.21 -4.43 3.54 2.85 -1.26 -0.45 115.26 118.66 1c89 n ASN 116 Ca 0.01 -1.99 -0.21 0.00 -0.11 0.00 0.00 54.58 52.28 1c89 n ASN 116 Cb 0.53 -0.12 -0.10 0.00 1.24 0.00 0.00 39.78 41.32 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1c89 s ARG 117 N -1.72 1.55 0.02 1.20 3.52 -1.25 -4.71 118.95 117.55 1c89 s ARG 117 Ca 0.33 -1.77 -0.24 0.00 -0.13 0.00 0.00 55.73 53.92 1c89 s ARG 117 Cb 0.21 -1.23 -0.05 0.00 -1.56 0.00 0.00 34.95 32.32 1c89 s ARG 117 CO 0.30 0.08 0.73 0.00 -0.81 0.00 0.00 175.30 175.61 1c89 s ALA 118 N -2.95 3.38 0.22 6.12 0.00 -1.26 -4.07 121.76 123.20 1c89 s ALA 118 Ca 0.29 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.56 1c89 s ALA 118 Cb 0.02 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1c89 s ALA 118 CO 0.12 0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.99 1c89 s VAL 119 N 0.04 3.49 0.00 0.00 1.01 -0.99 -4.91 120.40 119.05 1c89 s VAL 119 Ca 0.37 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1c89 s VAL 119 Cb -0.20 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1c89 s VAL 119 CO 0.21 -0.22 0.00 -1.22 0.00 0.00 0.00 175.10 173.87 1c89 n TYR 120 N -0.42 -0.80 0.00 5.22 4.01 -1.26 -2.06 117.16 121.84 1c89 n TYR 120 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1c89 n TYR 120 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 -4.37 7.72 7.99 -1.25 -3.44 117.00 123.65 1c89 n LEU 121 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 1c89 n LEU 121 Cb 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.18 1c89 n LEU 121 CO 0.00 -0.14 1.55 0.47 -1.51 0.00 0.00 177.39 177.76 1c89 n ASP 122 N 0.00 -0.91 -4.47 -1.43 8.00 0.13 -4.37 116.55 113.49 1c89 n ASP 122 Ca 0.00 -1.11 -0.26 0.00 0.71 0.00 0.00 54.79 54.13 1c89 n ASP 122 Cb 0.00 -0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 40.17 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 6.83 1.70 0.24 -1.24 0.74 -0.36 -3.65 119.66 123.93 1c89 s GLN 123 Ca 0.83 -1.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 1c89 s GLN 123 Cb -0.43 -1.92 -0.09 0.00 1.10 0.00 0.00 33.01 31.67 1c89 s GLN 123 CO 0.30 0.40 0.98 0.99 -0.55 0.00 0.00 175.29 177.40 1c89 s THR 124 N -1.83 3.95 0.03 -0.34 2.01 -1.26 0.13 115.64 118.32 1c89 s THR 124 Ca 0.24 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.88 1c89 s THR 124 Cb -0.08 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1c89 s THR 124 CO 0.12 0.46 1.20 -0.22 -0.69 0.00 0.00 174.62 175.49 1c89 s LEU 125 N -1.20 4.35 0.08 4.42 2.96 0.21 -4.82 118.68 124.68 1c89 s LEU 125 Ca 0.42 1.96 0.09 0.00 -0.22 0.00 0.00 54.13 56.38 1c89 s LEU 125 Cb -0.27 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1c89 s LEU 125 CO 0.34 -0.49 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.60 1c89 s MET 126 N 1.34 1.46 0.00 1.98 -1.94 -1.26 -0.88 119.30 120.00 1c89 s MET 126 Ca 0.58 -1.15 0.21 0.00 -1.71 0.00 0.00 55.69 53.62 1c89 s MET 126 Cb -0.28 -1.73 1.04 0.00 2.01 0.00 0.00 34.83 35.87 1c89 s MET 126 CO 0.28 0.43 1.65 -0.35 -0.01 0.00 0.00 175.02 177.01 1c89 n PRO 127 N 1.42 0.30 0.07 2.03 -0.04 -1.26 -2.78 135.00 134.74 1c89 n PRO 127 Ca -0.18 0.09 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1c89 n PRO 127 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1c89 n PRO 127 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1c89 h ASP 128 N 0.00 0.00 0.94 3.54 3.58 -2.00 -3.33 116.42 119.15 1c89 h ASP 128 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1c89 h ASP 128 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1c89 h ASP 128 CO 0.00 0.61 -1.13 0.00 -2.88 0.00 0.00 179.24 175.83 1c89 h MET 129 N 0.00 0.00 -5.51 0.28 -0.00 -1.95 -3.45 114.93 104.31 1c89 h MET 129 Ca -0.10 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 59.00 1c89 h MET 129 Cb 1.55 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 33.04 1c89 h MET 129 CO 0.06 0.27 -0.07 0.08 -0.00 0.00 0.00 176.91 177.26 1c89 s VAL 130 N -3.01 5.12 -0.22 -0.10 1.01 -1.22 -3.91 120.40 118.06 1c89 s VAL 130 Ca -0.01 0.90 0.22 0.00 0.00 0.00 0.00 61.98 63.10 1c89 s VAL 130 Cb 0.08 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1c89 s VAL 130 CO 0.79 0.18 1.01 2.29 0.00 0.00 0.00 175.10 179.38 1c89 n LYS 131 N 4.78 0.61 -0.34 2.72 2.85 -1.26 -3.80 118.16 123.72 1c89 n LYS 131 Ca -0.05 0.11 0.09 0.00 -1.05 0.00 0.00 58.31 57.40 1c89 n LYS 131 Cb 0.50 -1.81 0.26 0.00 -0.65 0.00 0.00 35.03 33.33 1c89 n LYS 131 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1c89 n ASN 132 N -2.66 3.23 -4.77 -5.58 0.23 -1.26 -4.95 115.26 99.50 1c89 n ASN 132 Ca -0.00 -2.09 -0.41 0.00 -0.53 0.00 0.00 54.58 51.55 1c89 n ASN 132 Cb 0.56 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 37.84 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1c89 s TYR 133 N -1.38 2.67 -2.46 -2.53 5.04 -1.25 -5.16 117.35 112.29 1c89 s TYR 133 Ca 0.38 1.11 0.28 0.00 -2.44 0.00 0.00 57.07 56.41 1c89 s TYR 133 Cb 0.21 -4.00 1.12 0.00 0.35 0.00 0.00 41.96 39.65 1c89 s TYR 133 CO 0.24 -3.00 1.79 0.39 -1.34 0.00 0.00 175.55 173.63