#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c89 s LYS 2 N 0.00 1.01 0.31 -3.83 1.02 -1.26 -5.00 119.74 111.99 1c89 s LYS 2 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 1c89 s LYS 2 Cb 0.00 -1.99 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 1c89 s LYS 2 CO 0.00 -2.09 1.20 0.00 -0.92 0.00 0.00 175.35 173.53 1c89 s ALA 3 N -3.66 3.43 0.21 5.17 0.00 -1.26 -4.68 121.76 120.96 1c89 s ALA 3 Ca 0.71 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.80 1c89 s ALA 3 Cb -0.05 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1c89 s ALA 3 CO 0.50 -0.41 0.17 0.45 0.00 0.00 0.00 175.76 176.48 1c89 s SER 4 N -0.73 5.57 -0.68 0.00 0.15 0.16 -3.65 113.70 114.52 1c89 s SER 4 Ca 0.47 -0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.68 1c89 s SER 4 Cb -0.35 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.52 1c89 s SER 4 CO 0.46 0.01 1.52 -0.69 1.20 0.00 0.00 173.24 175.75 1c89 s VAL 5 N -1.93 3.57 -0.29 4.45 1.01 -1.00 -2.38 120.40 123.82 1c89 s VAL 5 Ca 0.32 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1c89 s VAL 5 Cb -0.09 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.83 1c89 s VAL 5 CO 0.24 -1.45 0.00 -0.69 0.00 0.00 0.00 175.10 173.21 1c89 s VAL 6 N 7.11 3.11 0.13 2.92 1.01 -0.23 -0.17 120.40 134.27 1c89 s VAL 6 Ca 0.49 -1.25 -0.34 0.00 0.00 0.00 0.00 61.98 60.88 1c89 s VAL 6 Cb -0.10 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.41 1c89 s VAL 6 CO 0.18 -0.05 1.62 0.00 0.00 0.00 0.00 175.10 176.85 1c89 n ALA 7 N 4.67 1.33 0.08 5.51 0.00 0.42 -2.58 120.51 129.94 1c89 n ALA 7 Ca -0.14 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 1c89 n ALA 7 Cb 0.44 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 1c89 n ALA 7 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1c89 h ASN 8 N 6.40 0.61 -2.07 0.00 -1.07 -1.86 1.08 115.58 118.68 1c89 h ASN 8 Ca -0.45 -0.92 -0.47 0.00 0.07 0.00 0.00 56.30 54.53 1c89 h ASN 8 Cb 1.25 -0.20 0.08 0.00 -2.07 0.00 0.00 38.32 37.39 1c89 h ASN 8 CO 0.90 1.64 0.10 0.00 0.07 0.00 0.00 177.43 180.15 1c89 s GLN 9 N -2.53 1.65 0.02 4.14 -2.07 -1.26 -2.03 119.66 117.58 1c89 s GLN 9 Ca -0.14 -1.16 -0.19 0.00 -1.82 0.00 0.00 55.36 52.05 1c89 s GLN 9 Cb 0.04 -2.33 -0.06 0.00 -1.09 0.00 0.00 33.01 29.56 1c89 s GLN 9 CO 0.86 -1.47 0.55 -1.17 -1.32 0.00 0.00 175.29 172.74 1c89 s LEU 10 N -5.15 4.47 -0.09 2.60 0.20 -1.26 -4.16 118.68 115.29 1c89 s LEU 10 Ca 0.67 1.16 0.03 0.00 0.69 0.00 0.00 54.13 56.68 1c89 s LEU 10 Cb -0.05 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 42.84 1c89 s LEU 10 CO 0.44 0.20 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.88 1c89 s ILE 11 N -0.66 2.53 0.00 6.68 -1.09 0.15 -4.95 121.20 123.86 1c89 s ILE 11 Ca 0.29 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1c89 s ILE 11 Cb -0.18 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 1c89 s ILE 11 CO 0.17 0.56 0.00 -0.81 -1.23 0.00 0.00 174.94 173.63 1c89 n PRO 12 N 3.19 1.12 -3.29 2.79 -0.04 -1.26 0.26 135.00 137.78 1c89 n PRO 12 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 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 0.96 -0.04 0.00 0.00 175.50 176.42 1c89 s ILE 13 N 0.00 4.75 -0.93 0.52 -5.25 -1.26 -4.19 121.20 114.83 1c89 s ILE 13 Ca 0.00 -0.51 -0.10 0.00 -0.99 0.00 0.00 60.65 59.05 1c89 s ILE 13 Cb 0.00 -3.73 0.01 0.00 2.95 0.00 0.00 42.46 41.69 1c89 s ILE 13 CO 0.00 -0.47 0.65 0.59 -1.79 0.00 0.00 174.94 173.92 1c89 n ASN 14 N -1.85 -5.07 -3.83 4.36 5.03 -0.86 -4.89 115.26 108.14 1c89 n ASN 14 Ca -0.03 -0.95 -0.18 0.00 0.87 0.00 0.00 54.58 54.29 1c89 n ASN 14 Cb 0.57 -2.24 -0.16 0.00 -1.02 0.00 0.00 39.78 36.92 1c89 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1c89 s THR 15 N -3.16 0.26 -0.92 3.41 2.01 -1.26 -4.86 115.64 111.12 1c89 s THR 15 Ca 0.16 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1c89 s THR 15 Cb -0.08 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.13 1c89 s THR 15 CO 0.89 0.16 1.46 0.00 -0.69 0.00 0.00 174.62 176.44 1c89 s ALA 16 N 0.99 2.62 0.61 7.40 0.00 -1.25 -3.64 121.76 128.49 1c89 s ALA 16 Ca -0.10 -1.90 -0.18 0.00 0.00 0.00 0.00 51.96 49.78 1c89 s ALA 16 Cb -0.14 -4.45 -0.13 0.00 0.00 0.00 0.00 23.12 18.40 1c89 s ALA 16 CO -0.01 -3.63 -0.06 1.28 0.00 0.00 0.00 175.76 173.33 1c89 n LEU 17 N 9.56 -2.92 0.00 0.00 4.77 -1.05 -4.00 117.00 123.36 1c89 n LEU 17 Ca 0.25 0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 56.65 1c89 n LEU 17 Cb 0.50 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1c89 n LEU 17 CO 0.67 -4.55 -0.12 0.35 -1.33 0.00 0.00 177.39 172.40 1c89 n THR 18 N -1.77 0.00 -0.04 -5.08 -2.24 -1.26 0.25 114.28 104.13 1c89 n THR 18 Ca 0.07 -1.28 -0.12 0.00 -2.27 0.00 0.00 64.05 60.45 1c89 n THR 18 Cb 0.49 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 1c89 n THR 18 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1c89 h LEU 19 N 0.00 0.81 -1.24 3.22 6.46 -1.94 -2.97 115.31 119.65 1c89 h LEU 19 Ca -0.23 -0.43 -0.06 0.00 -0.12 0.00 0.00 57.88 57.04 1c89 h LEU 19 Cb 0.69 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1c89 h LEU 19 CO 0.37 1.19 -0.16 0.40 -0.62 0.00 0.00 178.44 179.62 1c89 h ILE 20 N 0.56 1.21 -0.18 4.05 5.03 -2.02 -1.74 117.51 124.42 1c89 h ILE 20 Ca 0.01 -0.95 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 1c89 h ILE 20 Cb 1.12 1.24 0.00 0.00 -3.03 0.00 0.00 36.82 36.15 1c89 h ILE 20 CO 0.11 0.30 0.00 0.23 -0.68 0.00 0.00 178.15 178.11 1c89 n MET 21 N -4.22 1.51 -3.86 2.37 2.81 -1.16 -4.71 117.12 109.87 1c89 n MET 21 Ca -0.00 -0.79 -0.36 0.00 -1.81 0.00 0.00 57.70 54.74 1c89 n MET 21 Cb 0.31 -1.26 -0.13 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.76 2.54 -0.28 0.03 1.75 -0.66 -3.44 119.30 117.48 1c89 s MET 22 Ca 0.22 -1.20 -0.05 0.00 -1.25 0.00 0.00 55.69 53.41 1c89 s MET 22 Cb 0.11 -3.26 0.02 0.00 2.84 0.00 0.00 34.83 34.54 1c89 s MET 22 CO 0.16 -0.61 0.03 0.15 -0.65 0.00 0.00 175.02 174.10 1c89 s LYS 23 N 1.31 2.98 -1.36 4.11 1.02 -1.07 -4.94 119.74 121.80 1c89 s LYS 23 Ca -0.04 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.90 1c89 s LYS 23 Cb -0.19 -3.24 0.08 0.00 -0.52 0.00 0.00 37.83 33.96 1c89 s LYS 23 CO 0.00 -0.44 1.95 0.00 -0.92 0.00 0.00 175.35 175.94 1c89 n ALA 24 N 4.79 4.73 -2.87 5.17 0.00 -1.26 -1.07 120.51 130.00 1c89 n ALA 24 Ca -0.15 -3.97 -0.26 0.00 0.00 0.00 0.00 53.44 49.06 1c89 n ALA 24 Cb 0.47 -3.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 2.96 3.15 -0.72 0.00 2.12 -1.00 -4.60 118.70 120.61 1c89 s GLU 25 Ca 0.48 -0.76 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 1c89 s GLU 25 Cb 0.09 -2.79 0.08 0.00 0.26 0.00 0.00 34.13 31.77 1c89 s GLU 25 CO -0.01 0.49 1.00 0.08 -0.54 0.00 0.00 175.26 176.28 1c89 s VAL 26 N -1.78 4.40 0.15 3.70 1.01 -1.26 0.38 120.40 126.99 1c89 s VAL 26 Ca 0.33 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1c89 s VAL 26 Cb -0.10 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1c89 s VAL 26 CO 0.26 -1.47 0.30 0.68 0.00 0.00 0.00 175.10 174.87 1c89 s VAL 27 N 3.81 0.08 0.33 2.92 -7.23 -1.26 -4.96 120.40 114.08 1c89 s VAL 27 Ca 0.24 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1c89 s VAL 27 Cb -0.14 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1c89 s VAL 27 CO 0.06 -0.35 0.47 0.42 -0.31 0.00 0.00 175.10 175.39 1c89 s THR 28 N -3.92 4.28 0.69 5.32 -4.23 -1.26 -4.25 115.64 112.27 1c89 s THR 28 Ca 0.12 -0.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.59 1c89 s THR 28 Cb 0.03 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.38 1c89 s THR 28 CO -0.04 -0.21 1.06 -2.16 -0.54 0.00 0.00 174.62 172.73 1c89 s PRO 29 N -4.18 2.91 -0.38 3.99 0.04 -1.26 -4.98 135.00 131.14 1c89 s PRO 29 Ca 0.43 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 1c89 s PRO 29 Cb -0.09 -1.99 -0.26 0.00 0.04 0.00 0.00 34.50 32.20 1c89 s PRO 29 CO 0.32 -1.12 1.74 0.00 0.04 0.00 0.00 177.00 177.98 1c89 n MET 30 N -3.06 0.75 0.00 4.56 0.00 -1.26 -4.85 117.12 113.26 1c89 n MET 30 Ca 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 57.70 56.39 1c89 n MET 30 Cb 0.53 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.08 1c89 n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c89 n GLY 31 N 4.72 -2.81 3.77 3.17 0.00 -1.26 -4.90 105.19 107.89 1c89 n GLY 31 Ca 0.47 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 4.21 0.93 -0.61 1.01 -1.05 -4.96 121.20 120.73 1c89 s ILE 32 Ca 0.00 1.85 -0.12 0.00 0.00 0.00 0.00 60.65 62.37 1c89 s ILE 32 Cb 0.00 -4.10 0.15 0.00 0.01 0.00 0.00 42.46 38.52 1c89 s ILE 32 CO 0.00 0.28 1.11 -2.16 0.00 0.00 0.00 174.94 174.17 1c89 s PRO 33 N -1.74 1.02 0.00 2.79 0.04 -1.26 -2.38 135.00 133.48 1c89 s PRO 33 Ca 0.46 0.47 0.28 0.00 0.04 0.00 0.00 61.00 62.25 1c89 s PRO 33 Cb -0.21 -1.81 1.10 0.00 0.04 0.00 0.00 34.50 33.62 1c89 s PRO 33 CO 0.26 -2.32 1.78 0.00 0.04 0.00 0.00 177.00 176.77 1c89 n ALA 34 N -3.88 2.84 -0.36 8.56 0.00 -1.24 -4.03 120.51 122.41 1c89 n ALA 34 Ca 0.06 -0.30 0.37 0.00 0.00 0.00 0.00 53.44 53.57 1c89 n ALA 34 Cb 0.58 -1.28 0.74 0.00 0.00 0.00 0.00 19.45 19.48 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 0.70 0.00 -1.13 0.00 4.81 -1.92 0.66 114.58 117.70 1c89 h GLU 35 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1c89 h GLU 35 Cb 0.40 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.55 1c89 h GLU 35 CO 0.00 0.00 0.58 0.39 -0.73 0.00 0.00 179.01 179.25 1c89 n GLU 36 N -4.02 2.11 -0.02 1.92 -0.58 -1.26 -4.64 120.64 114.15 1c89 n GLU 36 Ca 0.28 -2.37 -0.10 0.00 -0.42 0.00 0.00 57.16 54.55 1c89 n GLU 36 Cb 1.37 -1.93 -0.04 0.00 -0.57 0.00 0.00 31.44 30.28 1c89 n GLU 36 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c89 h ILE 37 N 0.88 0.27 0.00 -3.67 1.08 0.03 2.44 117.51 118.55 1c89 h ILE 37 Ca 0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.94 1c89 h ILE 37 Cb 1.60 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1c89 h ILE 37 CO 1.02 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 177.67 1c89 n PRO 38 N -5.41 0.06 -0.10 2.37 -0.04 -1.26 -1.67 135.00 128.95 1c89 n PRO 38 Ca -0.02 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 1c89 n PRO 38 Cb 0.33 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.73 2.41 0.07 3.54 5.03 0.59 -4.40 115.26 120.76 1c89 n ASN 39 Ca 0.02 -0.10 0.11 0.00 0.87 0.00 0.00 54.58 55.48 1c89 n ASN 39 Cb 0.15 -0.33 0.45 0.00 -1.02 0.00 0.00 39.78 39.04 1c89 n ASN 39 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1c89 n LEU 40 N -3.11 0.42 -4.76 3.41 4.32 0.79 -4.38 117.00 113.69 1c89 n LEU 40 Ca -0.36 0.57 -0.35 0.00 -0.02 0.00 0.00 56.01 55.86 1c89 n LEU 40 Cb 0.88 -0.48 0.04 0.00 -1.62 0.00 0.00 43.42 42.24 1c89 n LEU 40 CO 0.20 -0.29 0.79 -0.69 -1.22 0.00 0.00 177.39 176.18 1c89 s VAL 41 N -3.13 2.91 -0.52 4.08 1.01 -0.67 -2.56 120.40 121.53 1c89 s VAL 41 Ca 0.08 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1c89 s VAL 41 Cb 0.12 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1c89 s VAL 41 CO 0.43 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1c89 n GLY 42 N 0.08 0.46 3.71 4.51 0.00 0.68 -4.82 105.19 109.82 1c89 n GLY 42 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.35 4.33 0.06 1.61 1.00 -1.06 -4.23 119.30 118.67 1c89 s MET 43 Ca 0.00 2.03 -0.28 0.00 0.00 0.00 0.00 55.69 57.43 1c89 s MET 43 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 34.83 31.50 1c89 s MET 43 CO 0.00 -0.42 0.91 -0.65 0.00 0.00 0.00 175.02 174.86 1c89 s GLN 44 N 1.17 4.61 0.42 2.03 1.11 -1.24 -2.51 119.66 125.24 1c89 s GLN 44 Ca 0.64 1.33 -0.00 0.00 0.01 0.00 0.00 55.36 57.33 1c89 s GLN 44 Cb -0.36 -3.40 -0.02 0.00 -1.01 0.00 0.00 33.01 28.23 1c89 s GLN 44 CO 0.30 0.16 0.65 0.14 0.01 0.00 0.00 175.29 176.55 1c89 s VAL 45 N 0.26 4.45 -1.51 1.09 -7.23 -1.24 -4.46 120.40 111.76 1c89 s VAL 45 Ca 0.46 -0.40 0.22 0.00 -1.81 0.00 0.00 61.98 60.45 1c89 s VAL 45 Cb -0.22 -3.64 -0.11 0.00 0.56 0.00 0.00 36.38 32.97 1c89 s VAL 45 CO 0.27 -0.47 1.02 0.59 -0.31 0.00 0.00 175.10 176.20 1c89 n ASN 46 N -2.02 1.48 -3.77 4.85 4.13 -1.17 -2.03 115.26 116.73 1c89 n ASN 46 Ca -0.01 -1.23 -0.10 0.00 1.68 0.00 0.00 54.58 54.93 1c89 n ASN 46 Cb 0.57 0.71 -0.06 0.00 -1.54 0.00 0.00 39.78 39.47 1c89 n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1c89 s ARG 47 N -2.74 1.06 0.32 3.52 1.70 -1.26 -4.85 118.95 116.70 1c89 s ARG 47 Ca 0.13 -0.89 -0.29 0.00 -0.47 0.00 0.00 55.73 54.21 1c89 s ARG 47 Cb 0.17 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.87 1c89 s ARG 47 CO 0.72 -0.40 1.39 0.00 -1.08 0.00 0.00 175.30 175.93 1c89 s ALA 48 N -3.86 3.55 -0.12 7.88 0.00 -1.26 -4.47 121.76 123.49 1c89 s ALA 48 Ca 0.07 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1c89 s ALA 48 Cb 0.03 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1c89 s ALA 48 CO -0.08 -0.77 -0.09 0.08 0.00 0.00 0.00 175.76 174.89 1c89 s VAL 49 N -0.83 3.43 0.28 0.00 1.01 0.74 -4.96 120.40 120.07 1c89 s VAL 49 Ca 0.53 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1c89 s VAL 49 Cb -0.42 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.59 1c89 s VAL 49 CO 0.53 0.54 0.27 -0.81 0.00 0.00 0.00 175.10 175.63 1c89 n PRO 50 N 3.12 -1.26 -2.93 2.72 -0.04 -1.26 0.31 135.00 135.65 1c89 n PRO 50 Ca -0.18 -0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 62.48 1c89 n PRO 50 Cb 0.53 -0.38 -0.06 0.00 -0.04 0.00 0.00 33.50 33.55 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 4.37 -1.35 1.53 1.02 -1.26 -3.74 118.68 119.26 1c89 s LEU 51 Ca 0.17 1.65 -0.03 0.00 0.02 0.00 0.00 54.13 55.93 1c89 s LEU 51 Cb -0.01 -3.76 0.00 0.00 0.02 0.00 0.00 46.19 42.44 1c89 s LEU 51 CO 0.13 0.01 0.45 0.61 0.02 0.00 0.00 176.35 177.57 1c89 n GLY 52 N 0.75 -0.34 3.77 -3.19 0.00 0.36 -4.96 105.19 101.58 1c89 n GLY 52 Ca -0.01 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.06 4.68 0.91 2.61 2.01 -0.07 -4.72 115.64 118.00 1c89 s THR 53 Ca 0.22 1.45 -0.12 0.00 0.31 0.00 0.00 61.69 63.55 1c89 s THR 53 Cb -0.10 -4.02 0.14 0.00 0.01 0.00 0.00 72.50 68.53 1c89 s THR 53 CO 0.28 0.47 1.14 0.28 -0.69 0.00 0.00 174.62 176.09 1c89 s THR 54 N -0.64 2.01 -0.51 -0.82 -1.32 -1.26 0.16 115.64 113.27 1c89 s THR 54 Ca 0.33 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.61 1c89 s THR 54 Cb -0.20 -2.76 0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1c89 s THR 54 CO 0.21 -0.01 0.73 -0.22 -2.21 0.00 0.00 174.62 173.12 1c89 s LEU 55 N -6.02 4.61 -0.19 9.08 1.98 0.76 -4.71 118.68 124.19 1c89 s LEU 55 Ca 0.64 -0.63 -0.08 0.00 -2.89 0.00 0.00 54.13 51.17 1c89 s LEU 55 Cb -0.15 -2.62 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1c89 s LEU 55 CO 0.53 -0.97 0.08 -0.04 -1.89 0.00 0.00 176.35 174.06 1c89 s MET 56 N 3.07 4.03 0.23 1.98 -1.94 -1.26 -2.53 119.30 122.88 1c89 s MET 56 Ca 0.21 -0.31 0.07 0.00 -1.71 0.00 0.00 55.69 53.95 1c89 s MET 56 Cb -0.16 -3.28 0.20 0.00 2.01 0.00 0.00 34.83 33.60 1c89 s MET 56 CO 0.16 0.27 1.52 -1.00 -0.01 0.00 0.00 175.02 175.96 1c89 h PRO 57 N 6.71 0.10 -0.40 2.03 0.13 -1.96 -3.06 132.00 135.55 1c89 h PRO 57 Ca -0.38 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1c89 h PRO 57 Cb 1.16 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1c89 h PRO 57 CO 0.72 0.76 0.09 0.22 -0.23 0.00 0.00 178.00 179.56 1c89 h ASP 58 N 0.07 0.54 -0.29 1.44 3.58 -1.96 -1.72 116.42 118.07 1c89 h ASP 58 Ca -0.01 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1c89 h ASP 58 Cb 1.25 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1c89 h ASP 58 CO 0.10 0.55 0.00 0.23 -2.88 0.00 0.00 179.24 177.24 1c89 n MET 59 N -4.32 1.99 -4.92 0.28 2.81 -1.19 -4.83 117.12 106.93 1c89 n MET 59 Ca 0.02 -1.50 -0.32 0.00 -1.81 0.00 0.00 57.70 54.09 1c89 n MET 59 Cb 0.20 -1.41 -0.17 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.62 2.06 0.00 2.03 1.01 -0.65 -3.06 120.40 120.17 1c89 s VAL 60 Ca 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1c89 s VAL 60 Cb 0.18 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1c89 s VAL 60 CO 0.26 0.55 0.00 0.29 0.00 0.00 0.00 175.10 176.20 1c89 n LYS 61 N 3.82 1.72 -1.15 2.72 4.76 -1.26 -4.53 118.16 124.23 1c89 n LYS 61 Ca -0.20 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 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 0.00 2.62 0.00 4.39 5.15 -1.26 -4.82 115.26 121.34 1c89 n ASN 62 Ca 0.00 -2.67 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 1c89 n ASN 62 Cb 0.00 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 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 7.34 0.00 -2.06 1.20 0.18 -1.26 -4.84 117.16 117.72 1c89 n TYR 63 Ca 0.50 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 60.00 1c89 n TYR 63 Cb 0.40 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.45 1c89 n TYR 63 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1c89 s GLU 64 N 0.00 1.87 0.00 -3.48 -1.05 -1.26 -5.02 118.70 109.75 1c89 s GLU 64 Ca 0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1c89 s GLU 64 Cb 0.00 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 1c89 s GLU 64 CO 0.00 -1.55 0.00 -0.25 0.95 0.00 0.00 175.26 174.41 1c89 n ASP 65 N -3.19 0.00 0.00 0.83 8.00 -1.26 -4.90 116.55 116.02 1c89 n ASP 65 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1c89 n ASP 65 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 2.85 0.64 3.61 0.44 0.00 -1.26 -4.97 105.19 106.50 1c89 n GLY 66 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.78 5.13 -0.06 2.61 -4.23 -1.26 -4.98 115.64 110.07 1c89 s THR 67 Ca 0.00 0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1c89 s THR 67 Cb 0.00 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1c89 s THR 67 CO 0.00 0.13 -0.06 0.71 -0.54 0.00 0.00 174.62 174.86 1c89 h THR 68 N 5.37 0.00 -3.85 3.99 1.35 -1.93 -3.47 112.91 114.37 1c89 h THR 68 Ca -0.31 -0.48 -0.49 0.00 -0.55 0.00 0.00 66.41 64.59 1c89 h THR 68 Cb 1.15 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1c89 h THR 68 CO 0.68 0.00 0.43 -0.44 -0.25 0.00 0.00 175.52 175.93 1c89 s SER 69 N -4.45 7.17 0.00 5.36 0.01 -1.26 -5.02 113.70 115.52 1c89 s SER 69 Ca -0.05 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1c89 s SER 69 Cb 0.01 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1c89 s SER 69 CO 0.07 -0.20 0.00 -0.81 0.41 0.00 0.00 173.24 172.71 1c89 n PRO 70 N 0.79 0.00 0.00 12.44 -0.04 -1.26 -4.75 135.00 142.18 1c89 n PRO 70 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 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 2.17 0.34 2.17 0.55 0.00 -1.26 -4.16 105.19 105.00 1c89 n GLY 71 Ca 0.00 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.70 0.99 4.77 -1.26 -4.93 117.00 118.02 1c89 n LEU 72 Ca 0.00 -3.62 -0.42 0.00 -0.03 0.00 0.00 56.01 51.94 1c89 n LEU 72 Cb 0.00 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.66 1c89 n LEU 72 CO 0.00 1.78 1.21 -1.59 -1.33 0.00 0.00 177.39 177.46 1c89 s LYS 73 N 0.53 4.25 0.09 3.23 -2.85 -1.26 -2.64 119.74 121.08 1c89 s LYS 73 Ca 0.65 2.19 -0.10 0.00 -1.00 0.00 0.00 55.97 57.71 1c89 s LYS 73 Cb 0.30 -3.47 0.01 0.00 -2.06 0.00 0.00 37.83 32.61 1c89 s LYS 73 CO -0.06 -0.62 0.23 -1.54 0.10 0.00 0.00 175.35 173.46 1c89 s SER 74 N 1.87 0.05 0.15 0.03 1.04 -1.00 -4.39 113.70 111.45 1c89 s SER 74 Ca 0.69 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 56.30 1c89 s SER 74 Cb -0.37 0.36 -0.08 0.00 0.10 0.00 0.00 66.02 66.03 1c89 s SER 74 CO 0.30 -0.74 0.75 -0.69 0.98 0.00 0.00 173.24 173.84 1c89 s VAL 75 N -3.75 4.42 -0.02 5.02 1.01 0.12 -0.84 120.40 126.36 1c89 s VAL 75 Ca 0.04 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.67 1c89 s VAL 75 Cb 0.04 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1c89 s VAL 75 CO -0.11 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.78 1c89 s VAL 76 N -1.15 0.46 -1.15 2.92 1.01 -0.74 -2.25 120.40 119.50 1c89 s VAL 76 Ca 0.35 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1c89 s VAL 76 Cb -0.23 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 35.79 1c89 s VAL 76 CO 0.25 0.16 1.55 0.00 0.00 0.00 0.00 175.10 177.06 1c89 s ALA 77 N 0.32 3.10 0.60 5.51 0.00 0.78 -1.03 121.76 131.04 1c89 s ALA 77 Ca -0.04 -2.65 0.30 0.00 0.00 0.00 0.00 51.96 49.57 1c89 s ALA 77 Cb -0.07 -4.52 1.75 0.00 0.00 0.00 0.00 23.12 20.27 1c89 s ALA 77 CO -0.00 -3.38 2.15 -2.95 0.00 0.00 0.00 175.76 171.57 1c89 h ASN 78 N 8.60 0.00 -3.66 0.00 -1.07 -1.80 -1.17 115.58 116.49 1c89 h ASN 78 Ca 0.31 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.64 1c89 h ASN 78 Cb 0.94 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.19 1c89 h ASN 78 CO 1.41 0.00 -0.02 0.00 0.07 0.00 0.00 177.43 178.89 1c89 n GLN 79 N -3.72 1.44 -3.92 4.14 6.02 -1.26 -3.15 117.38 116.93 1c89 n GLN 79 Ca 0.00 -0.22 -0.35 0.00 -0.01 0.00 0.00 57.00 56.42 1c89 n GLN 79 Cb 0.25 0.02 -0.09 0.00 1.02 0.00 0.00 30.24 31.44 1c89 n GLN 79 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c89 s LEU 80 N 0.00 3.91 -0.29 1.08 0.20 -1.26 -3.70 118.68 118.63 1c89 s LEU 80 Ca 0.02 0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.98 1c89 s LEU 80 Cb -0.00 -2.00 0.07 0.00 -0.43 0.00 0.00 46.19 43.83 1c89 s LEU 80 CO 0.01 0.16 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.56 1c89 s ILE 81 N 0.43 2.10 0.79 6.68 1.09 -0.66 -4.97 121.20 126.67 1c89 s ILE 81 Ca 0.04 -1.82 -0.11 0.00 -1.10 0.00 0.00 60.65 57.66 1c89 s ILE 81 Cb -0.12 -2.35 0.07 0.00 -1.06 0.00 0.00 42.46 39.00 1c89 s ILE 81 CO -0.00 -0.24 1.09 -2.16 -0.10 0.00 0.00 174.94 173.52 1c89 s PRO 82 N 1.08 2.12 0.28 2.79 0.04 -1.26 0.27 135.00 140.32 1c89 s PRO 82 Ca -0.02 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 61.87 1c89 s PRO 82 Cb -0.19 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1c89 s PRO 82 CO -0.07 -1.68 0.05 -0.89 0.04 0.00 0.00 177.00 174.45 1c89 n ILE 83 N -3.53 0.40 -3.23 0.56 2.08 -1.26 -3.43 119.36 110.95 1c89 n ILE 83 Ca 0.08 -0.34 -0.06 0.00 0.56 0.00 0.00 62.75 62.99 1c89 n ILE 83 Cb 0.54 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.44 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 1.62 -6.42 -3.47 4.38 5.03 -0.05 -4.92 115.26 111.42 1c89 n ASN 84 Ca 0.07 0.33 -0.23 0.00 0.87 0.00 0.00 54.58 55.63 1c89 n ASN 84 Cb 0.28 -1.61 -0.12 0.00 -1.02 0.00 0.00 39.78 37.30 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 -1.07 -0.25 -0.88 3.41 2.01 -1.22 -4.80 115.64 112.83 1c89 s THR 85 Ca 0.05 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1c89 s THR 85 Cb -0.01 -0.98 -0.23 0.00 0.01 0.00 0.00 72.50 71.30 1c89 s THR 85 CO 0.13 -0.58 2.29 0.00 -0.69 0.00 0.00 174.62 175.77 1c89 n ALA 86 N 5.28 0.70 -2.47 7.40 0.00 -1.26 -4.15 120.51 126.01 1c89 n ALA 86 Ca -0.04 -1.14 -0.37 0.00 0.00 0.00 0.00 53.44 51.89 1c89 n ALA 86 Cb 0.44 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.96 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 8.11 4.44 0.00 0.00 2.34 -1.04 -4.71 118.68 127.82 1c89 s LEU 87 Ca 1.10 0.98 0.02 0.00 0.06 0.00 0.00 54.13 56.29 1c89 s LEU 87 Cb -0.46 -2.77 -0.01 0.00 -0.56 0.00 0.00 46.19 42.40 1c89 s LEU 87 CO 0.30 0.27 0.07 0.35 -1.06 0.00 0.00 176.35 176.28 1c89 n THR 88 N 1.52 0.00 -0.34 5.48 -2.24 -1.26 0.16 114.28 117.60 1c89 n THR 88 Ca -0.11 -1.83 0.34 0.00 -2.27 0.00 0.00 64.05 60.18 1c89 n THR 88 Cb 0.52 0.55 0.72 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.08 0.30 3.22 -0.00 -1.95 -0.25 115.31 116.71 1c89 h LEU 89 Ca -0.27 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.61 1c89 h LEU 89 Cb 0.95 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1c89 h LEU 89 CO 0.44 0.01 -0.26 0.58 -0.00 0.00 0.00 178.44 179.21 1c89 h VAL 90 N 0.06 0.00 0.00 0.15 2.07 -2.01 -2.77 116.25 113.76 1c89 h VAL 90 Ca 0.59 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.06 1c89 h VAL 90 Cb 2.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1c89 h VAL 90 CO -0.06 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 177.49 1c89 h MET 91 N -0.54 0.00 -5.65 1.57 2.86 -1.75 -3.41 114.93 108.00 1c89 h MET 91 Ca -0.04 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.01 1c89 h MET 91 Cb 0.46 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 1c89 h MET 91 CO -0.01 0.28 0.04 -1.64 1.06 0.00 0.00 176.91 176.64 1c89 s MET 92 N -3.94 4.23 -0.37 1.72 -1.94 -0.18 -3.57 119.30 115.25 1c89 s MET 92 Ca -0.01 0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 54.47 1c89 s MET 92 Cb 0.12 -3.55 0.08 0.00 2.01 0.00 0.00 34.83 33.49 1c89 s MET 92 CO 0.66 -0.15 0.15 0.15 -0.01 0.00 0.00 175.02 175.83 1c89 s LYS 93 N 1.60 2.37 -0.75 2.03 -0.14 -0.20 -4.63 119.74 120.02 1c89 s LYS 93 Ca 0.27 -1.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.14 1c89 s LYS 93 Cb -0.16 -3.52 -0.01 0.00 -1.68 0.00 0.00 37.83 32.46 1c89 s LYS 93 CO 0.11 -0.86 1.72 0.00 -0.76 0.00 0.00 175.35 175.56 1c89 s ALA 94 N 1.29 2.22 -0.01 5.17 0.00 -1.26 -1.79 121.76 127.37 1c89 s ALA 94 Ca 0.02 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.87 1c89 s ALA 94 Cb -0.22 -4.38 -0.02 0.00 0.00 0.00 0.00 23.12 18.51 1c89 s ALA 94 CO -0.01 -3.97 -0.22 -1.21 0.00 0.00 0.00 175.76 170.35 1c89 s GLU 95 N 6.56 1.74 -0.80 0.00 0.41 -0.02 -4.80 118.70 121.79 1c89 s GLU 95 Ca 0.59 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 54.11 1c89 s GLU 95 Cb -0.09 -1.69 0.03 0.00 -1.78 0.00 0.00 34.13 30.60 1c89 s GLU 95 CO 0.11 0.46 1.37 -1.21 -0.49 0.00 0.00 175.26 175.51 1c89 s GLU 96 N -0.55 3.23 0.18 1.61 8.01 -1.26 -2.36 118.70 127.56 1c89 s GLU 96 Ca 0.08 -0.39 -0.11 0.00 0.01 0.00 0.00 54.97 54.56 1c89 s GLU 96 Cb -0.08 -4.49 -0.00 0.00 -4.31 0.00 0.00 34.13 25.24 1c89 s GLU 96 CO -0.01 -2.23 0.35 0.54 0.01 0.00 0.00 175.26 173.92 1c89 s VAL 97 N 5.88 0.05 0.03 2.63 0.11 -1.08 -4.83 120.40 123.19 1c89 s VAL 97 Ca 0.40 -1.27 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1c89 s VAL 97 Cb -0.06 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1c89 s VAL 97 CO 0.09 -0.23 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.67 1c89 s SER 98 N -2.95 4.94 0.55 3.54 1.04 -1.26 -3.11 113.70 116.44 1c89 s SER 98 Ca 0.16 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 1c89 s SER 98 Cb 0.02 -1.21 -0.06 0.00 0.10 0.00 0.00 66.02 64.87 1c89 s SER 98 CO 0.00 0.24 1.03 -2.16 0.98 0.00 0.00 173.24 173.34 1c89 s PRO 99 N -1.78 3.60 -0.17 4.02 0.04 -1.26 -4.75 135.00 134.71 1c89 s PRO 99 Ca 0.21 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 1c89 s PRO 99 Cb -0.11 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1c89 s PRO 99 CO 0.12 -0.58 0.43 -1.59 0.04 0.00 0.00 177.00 175.43 1c89 s LYS 100 N -3.88 4.24 0.00 4.56 -2.85 -1.18 -4.93 119.74 115.71 1c89 s LYS 100 Ca 0.63 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1c89 s LYS 100 Cb -0.14 -3.49 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 1c89 s LYS 100 CO 0.31 0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.21 1c89 n GLY 101 N 3.63 1.01 3.63 0.59 0.00 -1.26 -5.01 105.19 107.78 1c89 n GLY 101 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 0.61 3.99 0.56 -0.61 1.01 0.13 -4.86 121.20 122.02 1c89 s ILE 102 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1c89 s ILE 102 Cb 0.00 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1c89 s ILE 102 CO 0.00 0.58 1.08 -2.16 0.00 0.00 0.00 174.94 174.44 1c89 s PRO 103 N -0.92 3.38 -0.27 2.79 0.04 -1.26 0.10 135.00 138.87 1c89 s PRO 103 Ca 0.13 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1c89 s PRO 103 Cb -0.11 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.51 1c89 s PRO 103 CO 0.03 -0.78 2.30 -1.13 0.04 0.00 0.00 177.00 177.45 1c89 n SER 104 N -1.58 6.20 0.01 6.66 3.41 -1.26 -4.26 113.62 122.80 1c89 n SER 104 Ca 0.10 -2.95 -0.13 0.00 -0.26 0.00 0.00 58.87 55.64 1c89 n SER 104 Cb 0.52 -1.13 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 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 1.83 0.11 -0.11 4.33 5.08 -1.97 -3.37 114.58 120.48 1c89 h GLU 105 Ca 0.26 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1c89 h GLU 105 Cb 0.94 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1c89 h GLU 105 CO 0.63 0.82 0.00 0.39 -1.00 0.00 0.00 179.01 179.85 1c89 n GLU 106 N -3.25 1.19 -0.33 2.33 1.02 -1.26 -4.63 120.64 115.71 1c89 n GLU 106 Ca -0.17 -1.35 0.09 0.00 -0.02 0.00 0.00 57.16 55.71 1c89 n GLU 106 Cb 1.04 -1.18 0.26 0.00 -0.02 0.00 0.00 31.44 31.53 1c89 n GLU 106 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c89 h ILE 107 N 1.64 0.76 -0.60 -3.67 1.08 -1.81 0.22 117.51 115.14 1c89 h ILE 107 Ca 0.00 -0.26 0.17 0.00 -0.39 0.00 0.00 64.86 64.39 1c89 h ILE 107 Cb 0.48 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1c89 h ILE 107 CO 0.00 0.14 0.76 -1.28 -0.69 0.00 0.00 178.15 177.08 1c89 h SER 108 N 0.75 0.00 0.11 1.72 0.87 -1.85 0.60 113.55 115.75 1c89 h SER 108 Ca 0.51 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.70 1c89 h SER 108 Cb 0.69 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1c89 h SER 108 CO -0.35 0.00 -2.21 1.17 -0.53 0.00 0.00 176.83 174.91 1c89 n LYS 109 N -3.39 0.69 -0.36 2.24 4.81 0.74 -4.20 118.16 118.69 1c89 n LYS 109 Ca 0.12 0.17 0.06 0.00 -0.87 0.00 0.00 58.31 57.80 1c89 n LYS 109 Cb 0.97 -1.62 0.22 0.00 0.02 0.00 0.00 35.03 34.63 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 -3.19 3.03 -4.73 3.14 4.77 0.52 -4.92 117.00 115.62 1c89 n LEU 110 Ca -0.35 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 53.69 1c89 n LEU 110 Cb 1.05 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1c89 n LEU 110 CO 0.37 0.58 1.11 -0.69 -1.33 0.00 0.00 177.39 177.42 1c89 s VAL 111 N -1.64 2.90 -0.27 4.08 1.01 0.18 -1.87 120.40 124.79 1c89 s VAL 111 Ca 0.32 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1c89 s VAL 111 Cb 0.20 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1c89 s VAL 111 CO 0.17 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1c89 n GLY 112 N 2.96 0.58 3.79 4.51 0.00 0.43 -4.90 105.19 112.56 1c89 n GLY 112 Ca 0.10 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1c89 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c89 s MET 113 N -1.55 3.85 -0.06 1.61 1.00 -0.78 -4.34 119.30 119.03 1c89 s MET 113 Ca 0.00 1.50 -0.23 0.00 0.00 0.00 0.00 55.69 56.96 1c89 s MET 113 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 34.83 32.52 1c89 s MET 113 CO 0.00 -0.41 0.67 -0.65 0.00 0.00 0.00 175.02 174.63 1c89 s GLN 114 N -2.93 4.42 0.45 2.03 -0.21 -1.26 -2.51 119.66 119.65 1c89 s GLN 114 Ca 0.64 0.82 -0.10 0.00 0.02 0.00 0.00 55.36 56.75 1c89 s GLN 114 Cb -0.21 -3.43 -0.06 0.00 1.00 0.00 0.00 33.01 30.31 1c89 s GLN 114 CO 0.25 0.12 0.82 0.54 -2.12 0.00 0.00 175.29 174.91 1c89 s VAL 115 N 0.63 4.77 -0.61 1.09 0.11 -1.26 -4.81 120.40 120.32 1c89 s VAL 115 Ca 0.36 0.63 0.21 0.00 -2.93 0.00 0.00 61.98 60.25 1c89 s VAL 115 Cb -0.18 -3.77 -0.27 0.00 -1.53 0.00 0.00 36.38 30.63 1c89 s VAL 115 CO 0.17 -0.67 0.72 -3.20 -3.33 0.00 0.00 175.10 168.80 1c89 n ASN 116 N -1.66 0.62 -4.38 3.54 5.15 -1.26 -0.87 115.26 116.40 1c89 n ASN 116 Ca 0.03 -0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 53.20 1c89 n ASN 116 Cb 0.54 1.39 -0.10 0.00 -0.53 0.00 0.00 39.78 41.08 1c89 n ASN 116 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1c89 s ARG 117 N -3.18 1.41 0.52 1.20 3.52 -1.26 -4.57 118.95 116.59 1c89 s ARG 117 Ca 0.02 -1.61 -0.19 0.00 -0.13 0.00 0.00 55.73 53.82 1c89 s ARG 117 Cb 0.15 -1.32 -0.07 0.00 -1.56 0.00 0.00 34.95 32.15 1c89 s ARG 117 CO 0.87 0.24 1.05 0.00 -0.81 0.00 0.00 175.30 176.65 1c89 s ALA 118 N -2.70 2.82 0.03 6.12 0.00 -1.26 -4.03 121.76 122.73 1c89 s ALA 118 Ca 0.23 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1c89 s ALA 118 Cb -0.03 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1c89 s ALA 118 CO 0.09 -0.50 -0.15 0.08 0.00 0.00 0.00 175.76 175.28 1c89 s VAL 119 N -2.08 1.17 0.00 0.00 1.01 0.76 -4.82 120.40 116.44 1c89 s VAL 119 Ca 0.67 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1c89 s VAL 119 Cb -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1c89 s VAL 119 CO 0.25 0.09 0.00 -1.22 0.00 0.00 0.00 175.10 174.22 1c89 n TYR 120 N 2.06 -1.88 0.00 5.22 4.01 -1.26 -1.66 117.16 123.65 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 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -4.43 7.72 7.99 -1.24 -4.00 117.00 123.04 1c89 n LEU 121 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.83 1c89 n LEU 121 Cb 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.15 1c89 n LEU 121 CO 0.00 0.00 1.73 0.47 -1.51 0.00 0.00 177.39 178.08 1c89 n ASP 122 N 0.00 -0.95 -4.43 -1.43 9.92 -0.50 -4.52 116.55 114.63 1c89 n ASP 122 Ca 0.00 -0.92 -0.29 0.00 -0.53 0.00 0.00 54.79 53.05 1c89 n ASP 122 Cb 0.00 -0.76 -0.12 0.00 -0.64 0.00 0.00 41.12 39.59 1c89 n ASP 122 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1c89 s GLN 123 N 7.02 1.57 -0.01 -1.24 0.74 -0.85 -4.38 119.66 122.51 1c89 s GLN 123 Ca 1.02 -1.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.84 1c89 s GLN 123 Cb -0.57 -1.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 1c89 s GLN 123 CO 0.38 0.46 1.05 0.99 -0.55 0.00 0.00 175.29 177.62 1c89 s THR 124 N -1.14 4.64 -0.16 -0.34 2.01 -1.26 -0.16 115.64 119.23 1c89 s THR 124 Ca 0.16 1.90 -0.29 0.00 0.31 0.00 0.00 61.69 63.77 1c89 s THR 124 Cb -0.10 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1c89 s THR 124 CO 0.08 0.11 1.12 -0.22 -0.69 0.00 0.00 174.62 175.02 1c89 s LEU 125 N 1.29 4.18 0.22 4.42 2.96 -0.95 -4.90 118.68 125.89 1c89 s LEU 125 Ca 0.53 1.57 0.08 0.00 -0.22 0.00 0.00 54.13 56.10 1c89 s LEU 125 Cb -0.23 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1c89 s LEU 125 CO 0.26 -0.64 0.00 0.00 -1.32 0.00 0.00 176.35 174.66 1c89 s MET 126 N 2.89 2.36 0.24 1.98 0.23 -1.26 0.18 119.30 125.91 1c89 s MET 126 Ca 0.50 -1.26 0.10 0.00 -1.03 0.00 0.00 55.69 54.00 1c89 s MET 126 Cb -0.19 -2.26 0.22 0.00 -1.53 0.00 0.00 34.83 31.06 1c89 s MET 126 CO 0.13 0.41 1.53 -1.00 -2.03 0.00 0.00 175.02 174.06 1c89 h PRO 127 N 2.26 0.00 0.00 3.16 0.13 -1.95 -2.99 132.00 132.61 1c89 h PRO 127 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1c89 h PRO 127 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c89 h PRO 127 CO 0.59 0.70 0.00 -0.25 -0.23 0.00 0.00 178.00 178.81 1c89 n ASP 128 N -3.66 0.00 -0.09 1.44 9.92 -1.26 -3.42 116.55 119.48 1c89 n ASP 128 Ca -0.01 -1.10 -0.23 0.00 -0.53 0.00 0.00 54.79 52.93 1c89 n ASP 128 Cb 0.70 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.06 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 -0.82 0.64 -2.75 -1.24 0.00 -1.13 -4.86 117.12 106.96 1c89 n MET 129 Ca 0.13 0.32 -0.42 0.00 -0.00 0.00 0.00 57.70 57.73 1c89 n MET 129 Cb 0.06 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.62 1c89 n MET 129 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1c89 s VAL 130 N -2.49 4.79 -0.34 1.12 1.01 -1.22 -4.43 120.40 118.85 1c89 s VAL 130 Ca -0.31 1.91 0.25 0.00 0.00 0.00 0.00 61.98 63.83 1c89 s VAL 130 Cb 0.09 -4.26 0.35 0.00 0.00 0.00 0.00 36.38 32.56 1c89 s VAL 130 CO 0.62 -0.03 1.68 0.11 0.00 0.00 0.00 175.10 177.48 1c89 h LYS 131 N 7.25 0.00 -0.60 2.72 1.79 -1.89 -3.06 116.57 122.79 1c89 h LYS 131 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1c89 h LYS 131 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1c89 h LYS 131 CO 0.88 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.34 1c89 n ASN 132 N -3.10 3.28 -4.59 0.86 4.13 -1.26 -4.88 115.26 109.70 1c89 n ASN 132 Ca 0.03 -2.28 -0.42 0.00 1.68 0.00 0.00 54.58 53.59 1c89 n ASN 132 Cb 0.49 -0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1c89 n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1c89 s TYR 133 N -1.71 2.03 -1.25 3.10 5.04 -1.16 -5.14 117.35 118.26 1c89 s TYR 133 Ca 0.34 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1c89 s TYR 133 Cb 0.22 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1c89 s TYR 133 CO 0.17 -2.50 0.31 -0.85 -1.34 0.00 0.00 175.55 171.34