#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n HIS 11 N 0.00 -1.44 0.00 2.97 1.44 -1.26 -3.63 115.22 113.30 1q81 n HIS 11 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1q81 n HIS 11 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1q81 n HIS 11 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1q81 n GLU 12 N -0.77 0.00 -0.41 -1.40 2.13 -1.26 -3.96 120.64 114.97 1q81 n GLU 12 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1q81 n GLU 12 Cb 0.00 -0.15 0.30 0.00 0.27 0.00 0.00 31.44 31.85 1q81 n GLU 12 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1q81 n MET 13 N 0.00 3.08 0.00 5.31 2.81 -1.24 -4.12 117.12 122.96 1q81 n MET 13 Ca 0.00 -2.62 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 1q81 n MET 13 Cb 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1q81 n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1q81 n ARG 14 N 1.15 3.38 -2.71 0.03 5.12 -1.25 -4.50 116.66 117.88 1q81 n ARG 14 Ca 0.22 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.72 1q81 n ARG 14 Cb 0.68 -0.48 -0.03 0.00 -1.16 0.00 0.00 32.46 31.47 1q81 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1q81 s GLU 15 N -0.77 4.48 0.99 5.56 -1.05 -1.26 -4.87 118.70 121.78 1q81 s GLU 15 Ca 0.00 1.39 -0.24 0.00 -0.15 0.00 0.00 54.97 55.97 1q81 s GLU 15 Cb 0.00 -3.50 -0.18 0.00 -0.44 0.00 0.00 34.13 30.01 1q81 s GLU 15 CO 0.00 -0.19 -1.29 -2.30 0.95 0.00 0.00 175.26 172.44 1q81 n PRO 16 N 4.48 0.00 -3.57 -4.83 -0.02 -1.26 -4.56 135.00 125.23 1q81 n PRO 16 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.48 1q81 n PRO 16 Cb 0.50 -0.99 -0.04 0.00 -0.02 0.00 0.00 33.50 32.95 1q81 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1q81 s ARG 17 N -1.97 0.50 -0.09 -0.52 1.70 -1.15 -4.95 118.95 112.46 1q81 s ARG 17 Ca 0.37 -0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.41 1q81 s ARG 17 Cb 0.01 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1q81 s ARG 17 CO 0.71 -0.19 0.53 0.42 -1.08 0.00 0.00 175.30 175.70 1q81 s ILE 18 N -1.81 5.12 -0.32 4.99 1.01 -1.26 -2.77 121.20 126.15 1q81 s ILE 18 Ca 0.04 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.78 1q81 s ILE 18 Cb -0.01 -3.87 0.10 0.00 0.01 0.00 0.00 42.46 38.69 1q81 s ILE 18 CO -0.03 0.34 0.07 -0.70 0.00 0.00 0.00 174.94 174.61 1q81 s GLU 19 N 0.47 1.12 0.35 2.79 2.12 -0.82 -4.69 118.70 120.05 1q81 s GLU 19 Ca 0.29 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 54.14 1q81 s GLU 19 Cb -0.16 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.61 1q81 s GLU 19 CO 0.13 -0.95 0.00 0.36 -0.54 0.00 0.00 175.26 174.25 1q81 n LYS 20 N 4.54 -3.12 -3.72 4.30 2.85 -1.21 -4.08 118.16 117.72 1q81 n LYS 20 Ca 0.01 2.32 -0.30 0.00 -1.05 0.00 0.00 58.31 59.29 1q81 n LYS 20 Cb 0.42 -2.61 -0.15 0.00 -0.65 0.00 0.00 35.03 32.04 1q81 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q81 s VAL 21 N -2.92 0.78 -0.20 0.58 1.01 0.27 -2.52 120.40 117.40 1q81 s VAL 21 Ca 0.00 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 1q81 s VAL 21 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1q81 s VAL 21 CO 0.00 -0.66 0.98 -0.69 0.00 0.00 0.00 175.10 174.73 1q81 s VAL 22 N 1.67 4.74 -0.44 2.92 1.01 -0.87 -2.70 120.40 126.73 1q81 s VAL 22 Ca 0.09 1.93 0.01 0.00 0.00 0.00 0.00 61.98 64.01 1q81 s VAL 22 Cb -0.17 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.06 1q81 s VAL 22 CO -0.26 -0.11 0.20 0.68 0.00 0.00 0.00 175.10 175.61 1q81 s VAL 23 N 2.83 2.88 0.07 2.92 -7.23 -0.51 -0.57 120.40 120.78 1q81 s VAL 23 Ca 0.43 -2.51 0.08 0.00 -1.81 0.00 0.00 61.98 58.16 1q81 s VAL 23 Cb -0.16 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 1q81 s VAL 23 CO 0.09 -0.71 -0.18 -2.28 -0.31 0.00 0.00 175.10 171.71 1q81 s HIS 24 N 0.63 2.55 -0.55 2.82 5.04 -1.19 -2.58 115.29 122.01 1q81 s HIS 24 Ca 0.12 -0.26 -0.00 0.00 -1.54 0.00 0.00 55.06 53.38 1q81 s HIS 24 Cb -0.22 -1.42 0.14 0.00 0.04 0.00 0.00 32.58 31.12 1q81 s HIS 24 CO -0.05 0.30 0.33 -1.64 -2.34 0.00 0.00 174.74 171.34 1q81 s MET 25 N -1.68 2.25 -0.58 2.88 -1.94 -0.11 -2.55 119.30 117.57 1q81 s MET 25 Ca 0.16 -2.45 -0.25 0.00 -1.71 0.00 0.00 55.69 51.44 1q81 s MET 25 Cb -0.11 -3.55 -0.22 0.00 2.01 0.00 0.00 34.83 32.96 1q81 s MET 25 CO 0.07 -1.13 1.83 0.41 -0.01 0.00 0.00 175.02 176.19 1q81 n GLY 26 N 3.52 1.69 1.33 -0.03 0.00 -1.26 -3.72 105.19 106.72 1q81 n GLY 26 Ca 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1q81 n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1q81 n ILE 27 N 6.58 0.00 -0.87 -0.61 5.41 -1.22 -5.01 119.36 123.65 1q81 n ILE 27 Ca 0.48 -0.30 0.08 0.00 1.00 0.00 0.00 62.75 64.01 1q81 n ILE 27 Cb 0.42 -1.65 0.11 0.00 -0.71 0.00 0.00 39.64 37.81 1q81 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q81 n GLY 28 N 1.47 4.52 0.00 7.39 0.00 -1.26 -4.63 105.19 112.67 1q81 n GLY 28 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1q81 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q81 n HIS 29 N -1.26 0.00 -3.98 1.61 -0.00 -1.26 -4.95 115.22 105.38 1q81 n HIS 29 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1q81 n HIS 29 Cb 0.57 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1q81 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q81 n ALA 35 N 0.00 0.00 0.23 1.59 0.00 -1.26 -4.65 120.51 116.41 1q81 n ALA 35 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1q81 n ALA 35 Cb 0.03 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.00 1q81 n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1q81 h ASN 36 N 0.00 0.00 0.73 0.00 -1.07 -2.03 -0.47 115.58 112.74 1q81 h ASN 36 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 1q81 h ASN 36 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1q81 h ASN 36 CO 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 177.43 177.30 1q81 h ALA 37 N 1.24 1.10 -0.70 4.14 0.00 -2.01 -3.27 119.26 119.76 1q81 h ALA 37 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.88 1q81 h ALA 37 Cb 0.64 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1q81 h ALA 37 CO 0.00 0.25 0.10 0.93 0.00 0.00 0.00 179.25 180.53 1q81 h GLU 38 N 0.00 0.20 -0.62 0.00 5.08 -1.50 -2.39 114.58 115.35 1q81 h GLU 38 Ca -0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1q81 h GLU 38 Cb 0.62 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 1q81 h GLU 38 CO 0.03 0.13 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.25 1q81 h ASP 39 N 0.20 -1.65 -0.74 1.42 3.32 -1.80 0.22 116.42 117.39 1q81 h ASP 39 Ca 0.38 0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.71 1q81 h ASP 39 Cb 0.65 0.74 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 1q81 h ASP 39 CO -0.53 -0.34 0.48 0.16 -1.72 0.00 0.00 179.24 177.30 1q81 h ILE 40 N -0.22 1.15 -0.77 0.35 3.07 -1.67 -1.81 117.51 117.60 1q81 h ILE 40 Ca 0.16 -0.33 0.03 0.00 1.55 0.00 0.00 64.86 66.27 1q81 h ILE 40 Cb 0.55 0.10 -0.04 0.00 -0.27 0.00 0.00 36.82 37.16 1q81 h ILE 40 CO -0.72 0.18 0.51 -0.07 -1.05 0.00 0.00 178.15 177.00 1q81 h LEU 41 N 0.96 0.83 -1.31 0.16 3.38 -1.09 -0.32 115.31 117.93 1q81 h LEU 41 Ca 0.29 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1q81 h LEU 41 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1q81 h LEU 41 CO -0.08 0.58 0.09 1.23 0.09 0.00 0.00 178.44 180.34 1q81 h GLY 42 N 0.97 0.60 0.30 0.83 0.00 -0.13 -2.65 103.07 102.98 1q81 h GLY 42 Ca 0.30 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1q81 h GLY 42 CO -0.08 0.30 -0.71 0.83 0.00 0.00 0.00 176.54 176.88 1q81 h GLU 43 N 0.55 0.13 0.00 4.80 5.08 -1.16 0.22 114.58 124.20 1q81 h GLU 43 Ca 0.13 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1q81 h GLU 43 Cb 0.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1q81 h GLU 43 CO -0.00 1.11 0.09 0.97 -1.00 0.00 0.00 179.01 180.17 1q81 h ILE 44 N -0.69 0.00 0.00 3.13 2.10 -1.06 -3.31 117.51 117.68 1q81 h ILE 44 Ca -0.16 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.78 1q81 h ILE 44 Cb 1.38 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1q81 h ILE 44 CO 0.02 0.00 -0.27 0.35 -1.08 0.00 0.00 178.15 177.17 1q81 n THR 45 N -2.70 1.01 0.00 2.19 -2.24 -1.00 -4.93 114.28 106.61 1q81 n THR 45 Ca -0.02 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1q81 n THR 45 Cb 0.14 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1q81 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q81 n GLY 46 N 3.29 1.16 3.34 3.38 0.00 0.78 -4.95 105.19 112.18 1q81 n GLY 46 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1q81 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q81 s GLN 47 N 0.00 0.75 0.36 1.61 -2.07 -1.21 -5.02 119.66 114.07 1q81 s GLN 47 Ca 0.00 0.10 -0.24 0.00 -1.82 0.00 0.00 55.36 53.41 1q81 s GLN 47 Cb 0.00 0.34 -0.15 0.00 -1.09 0.00 0.00 33.01 32.12 1q81 s GLN 47 CO 0.00 -0.20 0.38 -1.33 -1.32 0.00 0.00 175.29 172.82 1q81 n MET 48 N 1.50 0.25 -2.37 9.60 2.81 -1.26 -4.58 117.12 123.08 1q81 n MET 48 Ca -0.19 0.09 -0.24 0.00 -1.81 0.00 0.00 57.70 55.55 1q81 n MET 48 Cb 0.56 -1.20 0.14 0.00 -0.71 0.00 0.00 33.22 32.01 1q81 n MET 48 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1q81 n PRO 49 N 0.99 -0.41 -4.14 0.03 -0.02 -1.26 -4.84 135.00 125.35 1q81 n PRO 49 Ca 0.13 -2.51 -0.15 0.00 -2.02 0.00 0.00 63.50 58.94 1q81 n PRO 49 Cb 0.36 -0.83 -0.13 0.00 -0.02 0.00 0.00 33.50 32.88 1q81 n PRO 49 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q81 s VAL 50 N -3.26 0.58 0.59 -1.45 1.01 -0.32 -4.91 120.40 112.65 1q81 s VAL 50 Ca 0.68 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1q81 s VAL 50 Cb -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1q81 s VAL 50 CO 0.46 -0.16 1.14 -0.13 0.00 0.00 0.00 175.10 176.41 1q81 s ARG 51 N -1.02 3.12 -0.57 2.72 1.81 -1.26 -1.57 118.95 122.18 1q81 s ARG 51 Ca -0.04 1.58 0.04 0.00 -1.72 0.00 0.00 55.73 55.59 1q81 s ARG 51 Cb -0.07 -1.98 0.14 0.00 -0.45 0.00 0.00 34.95 32.60 1q81 s ARG 51 CO 0.00 -1.03 0.32 0.99 -0.68 0.00 0.00 175.30 174.90 1q81 s THR 52 N -1.91 2.60 0.92 0.02 2.01 0.42 -4.83 115.64 114.87 1q81 s THR 52 Ca 0.72 -3.55 -0.11 0.00 0.31 0.00 0.00 61.69 59.05 1q81 s THR 52 Cb -0.24 -2.78 0.14 0.00 0.01 0.00 0.00 72.50 69.64 1q81 s THR 52 CO 0.32 -0.86 1.09 -0.54 -0.69 0.00 0.00 174.62 173.94 1q81 s LYS 53 N -0.58 1.04 0.27 4.92 1.02 -1.22 -1.12 119.74 124.08 1q81 s LYS 53 Ca 0.19 0.93 0.08 0.00 0.02 0.00 0.00 55.97 57.20 1q81 s LYS 53 Cb -0.20 -1.78 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1q81 s LYS 53 CO -0.05 -2.42 -0.11 0.00 -0.92 0.00 0.00 175.35 171.86 1q81 s ALA 54 N -2.84 2.44 0.14 5.17 0.00 -1.18 -4.84 121.76 120.64 1q81 s ALA 54 Ca 0.64 -1.88 0.09 0.00 0.00 0.00 0.00 51.96 50.82 1q81 s ALA 54 Cb -0.19 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1q81 s ALA 54 CO 0.58 0.04 -0.16 0.15 0.00 0.00 0.00 175.76 176.37 1q81 s LYS 55 N -3.65 1.84 0.20 0.00 1.02 -1.26 -4.22 119.74 113.65 1q81 s LYS 55 Ca 0.28 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1q81 s LYS 55 Cb 0.01 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1q81 s LYS 55 CO 0.12 0.46 0.00 0.54 -0.92 0.00 0.00 175.35 175.55 1q81 n ARG 56 N 0.55 -1.53 -3.23 1.68 1.74 -1.26 -4.94 116.66 109.67 1q81 n ARG 56 Ca -0.14 1.16 -0.39 0.00 -0.77 0.00 0.00 57.85 57.71 1q81 n ARG 56 Cb 0.54 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.52 1q81 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q81 s THR 57 N -3.68 5.09 0.13 0.55 2.01 -1.26 -4.70 115.64 113.77 1q81 s THR 57 Ca 0.00 0.96 0.03 0.00 0.31 0.00 0.00 61.69 62.99 1q81 s THR 57 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1q81 s THR 57 CO 0.00 0.15 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1q81 s VAL 58 N 1.78 0.87 0.47 3.82 1.01 0.14 -4.91 120.40 123.59 1q81 s VAL 58 Ca 0.24 -1.99 0.20 0.00 0.00 0.00 0.00 61.98 60.43 1q81 s VAL 58 Cb -0.15 -1.82 0.38 0.00 0.00 0.00 0.00 36.38 34.79 1q81 s VAL 58 CO 0.09 -0.76 1.94 1.23 0.00 0.00 0.00 175.10 177.61 1q81 h GLY 59 N 2.85 0.41 -4.65 4.51 0.00 -1.98 -2.38 103.07 101.83 1q81 h GLY 59 Ca -0.36 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1q81 h GLY 59 CO 0.64 0.03 0.32 -1.84 0.00 0.00 0.00 176.54 175.69 1q81 n GLU 60 N -4.43 0.97 -2.91 4.80 0.28 -1.26 -4.47 120.64 113.63 1q81 n GLU 60 Ca 0.13 -0.53 -0.12 0.00 -0.16 0.00 0.00 57.16 56.48 1q81 n GLU 60 Cb 0.59 -1.79 -0.02 0.00 1.43 0.00 0.00 31.44 31.65 1q81 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1q81 n PHE 61 N 2.94 -1.57 -3.42 -1.84 -0.00 -1.21 -4.80 117.46 107.56 1q81 n PHE 61 Ca 0.21 0.19 -0.31 0.00 -0.00 0.00 0.00 57.45 57.54 1q81 n PHE 61 Cb 0.38 -1.14 -0.07 0.00 -0.00 0.00 0.00 39.48 38.65 1q81 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1q81 n ASP 62 N -1.60 4.20 -0.06 -2.13 2.03 -0.90 -4.77 116.55 113.33 1q81 n ASP 62 Ca 0.03 -3.39 -0.05 0.00 0.52 0.00 0.00 54.79 51.90 1q81 n ASP 62 Cb 0.44 -0.81 -0.15 0.00 -0.72 0.00 0.00 41.12 39.87 1q81 n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1q81 n ILE 63 N 1.16 1.15 -1.67 5.18 -5.35 -1.25 0.27 119.36 118.85 1q81 n ILE 63 Ca 0.28 -0.77 -0.43 0.00 -0.27 0.00 0.00 62.75 61.55 1q81 n ILE 63 Cb 0.39 -0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 37.76 1q81 n ILE 63 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1q81 n ARG 64 N -2.72 2.71 0.00 6.28 0.63 -1.26 -4.29 116.66 118.01 1q81 n ARG 64 Ca -0.23 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 1q81 n ARG 64 Cb 1.00 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1q81 n ARG 64 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1q81 n GLU 65 N 6.74 0.00 -2.22 -0.14 2.13 -1.26 -4.53 120.64 121.37 1q81 n GLU 65 Ca 0.20 0.06 -0.43 0.00 0.66 0.00 0.00 57.16 57.65 1q81 n GLU 65 Cb 0.37 -0.82 -0.02 0.00 0.27 0.00 0.00 31.44 31.24 1q81 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1q81 s GLY 66 N -0.59 1.42 -0.29 8.31 0.00 -1.26 -3.13 107.32 111.77 1q81 s GLY 66 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 44.72 45.01 1q81 s GLY 66 CO 0.00 2.82 1.17 0.51 0.00 0.00 0.00 173.10 177.60 1q81 s ASP 67 N 3.25 -0.29 -0.23 1.64 -4.77 -1.26 -4.94 116.67 110.07 1q81 s ASP 67 Ca 0.65 0.53 -0.29 0.00 -3.30 0.00 0.00 52.55 50.14 1q81 s ASP 67 Cb -0.25 0.74 -0.03 0.00 -1.09 0.00 0.00 42.92 42.30 1q81 s ASP 67 CO 0.25 -0.09 1.77 -2.84 0.70 0.00 0.00 175.17 174.96 1q81 s PRO 68 N 0.52 3.60 -0.21 2.11 0.02 -1.26 -3.24 135.00 136.54 1q81 s PRO 68 Ca 0.00 1.70 0.18 0.00 0.02 0.00 0.00 61.00 62.90 1q81 s PRO 68 Cb -0.04 -4.13 0.47 0.00 0.02 0.00 0.00 34.50 30.81 1q81 s PRO 68 CO -0.11 -1.54 1.16 -0.89 -0.33 0.00 0.00 177.00 175.29 1q81 n ILE 69 N 6.82 1.47 0.00 2.83 5.41 -0.27 -4.31 119.36 131.30 1q81 n ILE 69 Ca 0.21 -2.92 0.00 0.00 1.00 0.00 0.00 62.75 61.05 1q81 n ILE 69 Cb 0.45 0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.79 1q81 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q81 n GLY 70 N -0.47 3.36 3.14 7.39 0.00 -1.25 -3.39 105.19 113.97 1q81 n GLY 70 Ca 0.18 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 1q81 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 71 N -2.07 0.90 0.16 4.61 0.00 -1.24 0.16 121.76 124.27 1q81 s ALA 71 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1q81 s ALA 71 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1q81 s ALA 71 CO 0.00 -0.13 0.03 -1.59 0.00 0.00 0.00 175.76 174.07 1q81 s LYS 72 N -2.96 1.05 -0.11 0.00 -2.85 -0.61 -0.93 119.74 113.33 1q81 s LYS 72 Ca 0.04 -1.51 -0.05 0.00 -1.00 0.00 0.00 55.97 53.46 1q81 s LYS 72 Cb -0.01 -0.07 0.06 0.00 -2.06 0.00 0.00 37.83 35.74 1q81 s LYS 72 CO -0.02 -0.19 0.24 0.08 0.10 0.00 0.00 175.35 175.56 1q81 s VAL 73 N -3.81 -0.27 -0.50 1.79 1.01 -1.06 -1.17 120.40 116.39 1q81 s VAL 73 Ca 0.25 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1q81 s VAL 73 Cb 0.07 -0.40 0.12 0.00 0.00 0.00 0.00 36.38 36.17 1q81 s VAL 73 CO 0.04 0.10 0.42 0.42 0.00 0.00 0.00 175.10 176.08 1q81 s THR 74 N 2.00 4.83 -0.12 3.92 -4.23 -1.26 -1.43 115.64 119.34 1q81 s THR 74 Ca -0.02 -1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 58.74 1q81 s THR 74 Cb -0.11 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.60 1q81 s THR 74 CO -0.08 -0.78 0.61 -0.76 -0.54 0.00 0.00 174.62 173.06 1q81 s LEU 75 N 1.52 4.25 0.08 4.79 1.43 -1.10 -4.84 118.68 124.81 1q81 s LEU 75 Ca 0.04 0.96 0.10 0.00 -1.03 0.00 0.00 54.13 54.19 1q81 s LEU 75 Cb -0.28 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1q81 s LEU 75 CO 0.02 -0.13 -0.26 -0.13 0.23 0.00 0.00 176.35 176.09 1q81 s ARG 76 N 1.09 1.68 7.02 1.70 0.52 -1.26 -0.57 118.95 129.12 1q81 s ARG 76 Ca 0.31 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1q81 s ARG 76 Cb -0.16 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1q81 s ARG 76 CO 0.13 0.49 0.00 -0.25 0.02 0.00 0.00 175.30 175.69 1q81 n ASP 77 N 1.41 0.00 -0.11 0.23 8.00 -1.26 -3.18 116.55 121.64 1q81 n ASP 77 Ca -0.17 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.27 1q81 n ASP 77 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1q81 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1q81 h GLU 78 N 0.00 0.31 -1.32 -1.24 5.08 -1.98 -0.83 114.58 114.59 1q81 h GLU 78 Ca 0.00 -0.02 0.38 0.00 -1.00 0.00 0.00 59.36 58.72 1q81 h GLU 78 Cb 0.00 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1q81 h GLU 78 CO 0.00 0.20 0.95 0.52 -1.00 0.00 0.00 179.01 179.68 1q81 h MET 79 N 0.31 0.02 0.11 2.33 2.86 -1.93 0.23 114.93 118.87 1q81 h MET 79 Ca 0.17 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 1q81 h MET 79 Cb 0.13 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.80 1q81 h MET 79 CO -0.16 0.01 -0.76 0.00 1.06 0.00 0.00 176.91 177.06 1q81 h ALA 80 N 1.35 -0.04 0.74 6.32 0.00 -1.28 -3.23 119.26 123.12 1q81 h ALA 80 Ca 0.64 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1q81 h ALA 80 Cb 2.50 0.14 0.01 0.00 0.00 0.00 0.00 17.79 20.44 1q81 h ALA 80 CO -0.03 0.38 -0.35 0.93 0.00 0.00 0.00 179.25 180.17 1q81 h GLU 81 N -0.48 -0.95 0.00 0.00 5.08 -0.35 -0.29 114.58 117.59 1q81 h GLU 81 Ca -0.14 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1q81 h GLU 81 Cb 1.55 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1q81 h GLU 81 CO 0.11 -0.63 0.43 0.39 -1.00 0.00 0.00 179.01 178.30 1q81 n GLU 82 N -4.86 0.07 -0.11 2.33 1.02 0.54 0.11 120.64 119.74 1q81 n GLU 82 Ca -0.12 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.36 1q81 n GLU 82 Cb 0.39 -2.15 -0.08 0.00 -0.02 0.00 0.00 31.44 29.58 1q81 n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q81 n PHE 83 N -1.96 0.58 0.23 -0.32 7.35 -1.00 -4.26 117.46 118.08 1q81 n PHE 83 Ca -0.01 0.25 0.17 0.00 -0.76 0.00 0.00 57.45 57.10 1q81 n PHE 83 Cb 0.44 -0.93 0.85 0.00 0.35 0.00 0.00 39.48 40.19 1q81 n PHE 83 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1q81 h LEU 84 N -1.00 0.00 -1.09 -2.13 3.38 0.15 -1.35 115.31 113.26 1q81 h LEU 84 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1q81 h LEU 84 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1q81 h LEU 84 CO -0.21 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1q81 n GLN 85 N -3.78 0.48 0.00 1.13 6.02 0.84 -1.71 117.38 120.36 1q81 n GLN 85 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1q81 n GLN 85 Cb 0.28 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1q81 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1q81 n THR 86 N 0.31 0.00 0.09 5.09 -2.24 -0.72 -4.89 114.28 111.92 1q81 n THR 86 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1q81 n THR 86 Cb 0.13 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1q81 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q81 h ALA 87 N 0.00 -0.81 -0.99 6.98 0.00 -0.67 -3.11 119.26 120.66 1q81 h ALA 87 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1q81 h ALA 87 Cb 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 1q81 h ALA 87 CO 0.00 -0.79 -0.34 -0.07 0.00 0.00 0.00 179.25 178.05 1q81 h LEU 88 N -0.29 -1.25 -1.06 0.00 3.38 -1.61 0.32 115.31 114.80 1q81 h LEU 88 Ca -0.02 0.31 0.26 0.00 0.09 0.00 0.00 57.88 58.51 1q81 h LEU 88 Cb 0.18 0.71 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 1q81 h LEU 88 CO 0.04 -0.30 0.61 -0.65 0.09 0.00 0.00 178.44 178.22 1q81 h PRO 89 N -0.00 0.51 0.00 1.13 0.11 -1.75 0.46 132.00 132.46 1q81 h PRO 89 Ca 0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1q81 h PRO 89 Cb 0.64 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1q81 h PRO 89 CO -1.00 0.34 0.00 1.28 -0.21 0.00 0.00 178.00 178.41 1q81 n LEU 90 N -4.86 0.00 -4.47 2.35 4.77 0.11 -4.76 117.00 110.15 1q81 n LEU 90 Ca 0.27 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.97 1q81 n LEU 90 Cb 0.79 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1q81 n LEU 90 CO 0.17 0.00 -0.50 0.00 -1.33 0.00 0.00 177.39 175.73 1q81 s ALA 91 N -2.00 2.63 0.00 -1.18 0.00 0.16 -5.05 121.76 116.32 1q81 s ALA 91 Ca 0.38 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1q81 s ALA 91 Cb 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1q81 s ALA 91 CO 0.29 0.52 -0.10 0.39 0.00 0.00 0.00 175.76 176.85 1q81 n GLU 92 N 0.55 0.16 -0.29 0.00 1.02 -1.26 -4.96 120.64 115.86 1q81 n GLU 92 Ca -0.14 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.95 1q81 n GLU 92 Cb 0.54 -0.73 0.01 0.00 -0.02 0.00 0.00 31.44 31.24 1q81 n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1q81 n LEU 93 N -3.65 -1.32 0.00 -4.62 4.77 -1.26 -4.90 117.00 106.02 1q81 n LEU 93 Ca -0.04 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1q81 n LEU 93 Cb 0.15 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1q81 n LEU 93 CO 0.06 -1.25 0.00 0.00 -1.33 0.00 0.00 177.39 174.87 1q81 n ALA 94 N -0.86 0.00 -1.16 -1.18 0.00 -1.24 -4.82 120.51 111.25 1q81 n ALA 94 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1q81 n ALA 94 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 1q81 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q81 n THR 95 N -0.13 -1.04 0.00 0.00 -2.24 -1.26 -4.18 114.28 105.42 1q81 n THR 95 Ca 0.00 0.62 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1q81 n THR 95 Cb 0.00 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1q81 n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1q81 n SER 96 N -2.86 0.00 -0.93 3.42 3.41 -1.26 -4.21 113.62 111.18 1q81 n SER 96 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1q81 n SER 96 Cb 0.28 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1q81 n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1q81 n GLN 97 N 0.00 1.13 -4.40 4.33 7.27 -1.26 -4.81 117.38 119.64 1q81 n GLN 97 Ca 0.00 -0.19 -0.28 0.00 0.07 0.00 0.00 57.00 56.59 1q81 n GLN 97 Cb 0.00 -1.21 -0.13 0.00 2.41 0.00 0.00 30.24 31.31 1q81 n GLN 97 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1q81 s PHE 98 N -0.47 2.31 0.88 3.69 0.40 -1.26 -4.19 117.98 119.35 1q81 s PHE 98 Ca 0.04 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 1q81 s PHE 98 Cb 0.03 -1.22 0.12 0.00 0.51 0.00 0.00 43.02 42.46 1q81 s PHE 98 CO 0.01 0.39 1.09 0.34 0.70 0.00 0.00 175.22 177.75 1q81 s ASP 99 N -2.26 3.60 0.00 1.36 2.15 0.31 -4.91 116.67 116.92 1q81 s ASP 99 Ca 0.16 1.47 0.28 0.00 0.43 0.00 0.00 52.55 54.88 1q81 s ASP 99 Cb -0.09 -2.15 0.98 0.00 -0.30 0.00 0.00 42.92 41.36 1q81 s ASP 99 CO 0.07 -2.56 1.73 0.47 -0.17 0.00 0.00 175.17 174.71 1q81 n ASP 100 N -3.83 0.38 -0.85 -0.34 9.92 -1.26 -3.07 116.55 117.51 1q81 n ASP 100 Ca 0.07 -0.20 0.07 0.00 -0.53 0.00 0.00 54.79 54.21 1q81 n ASP 100 Cb 0.55 -0.08 0.21 0.00 -0.64 0.00 0.00 41.12 41.16 1q81 n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1q81 n THR 101 N -1.26 1.19 -1.63 -3.53 -1.04 -1.26 -4.28 114.28 102.48 1q81 n THR 101 Ca 0.09 -1.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 1q81 n THR 101 Cb 0.32 0.40 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 1q81 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q81 n GLY 102 N 0.63 0.59 3.83 3.41 0.00 -1.17 -4.35 105.19 108.12 1q81 n GLY 102 Ca 0.16 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1q81 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q81 s ASN 103 N -2.86 4.35 -0.29 1.61 0.02 -1.26 -4.22 114.94 112.29 1q81 s ASN 103 Ca 0.00 -1.52 -0.25 0.00 -1.02 0.00 0.00 52.86 50.07 1q81 s ASN 103 Cb 0.00 0.58 0.14 0.00 0.02 0.00 0.00 41.25 41.99 1q81 s ASN 103 CO 0.00 -1.00 1.13 0.72 0.02 0.00 0.00 177.10 177.97 1q81 s PHE 104 N -2.86 -0.37 -0.10 2.20 -0.12 -1.21 0.12 117.98 115.64 1q81 s PHE 104 Ca 0.15 0.91 0.03 0.00 -0.05 0.00 0.00 56.93 57.97 1q81 s PHE 104 Cb -0.01 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1q81 s PHE 104 CO 0.09 -0.18 -0.22 0.45 -0.05 0.00 0.00 175.22 175.32 1q81 s SER 105 N 0.18 2.90 0.12 1.98 0.15 -1.26 -1.84 113.70 115.94 1q81 s SER 105 Ca 0.04 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.21 1q81 s SER 105 Cb -0.05 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.89 1q81 s SER 105 CO -0.09 0.12 -0.11 0.72 1.20 0.00 0.00 173.24 175.09 1q81 s PHE 106 N 0.50 1.20 0.00 3.44 -0.71 -0.69 -4.98 117.98 116.74 1q81 s PHE 106 Ca -0.16 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.05 1q81 s PHE 106 Cb -0.17 -0.63 0.00 0.00 -1.21 0.00 0.00 43.02 41.01 1q81 s PHE 106 CO 0.06 0.06 0.00 0.41 -1.34 0.00 0.00 175.22 174.40 1q81 n GLY 107 N 0.24 0.27 0.00 1.99 0.00 -1.26 -1.41 105.19 105.01 1q81 n GLY 107 Ca -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1q81 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q81 n LEU 128 N 0.00 0.00 -4.87 0.99 0.00 -1.26 -4.94 117.00 106.92 1q81 n LEU 128 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1q81 n LEU 128 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1q81 n LEU 128 CO 0.00 0.00 -0.15 -1.81 0.00 0.00 0.00 177.39 175.43 1q81 s ASP 129 N 0.00 5.84 -0.27 1.96 1.01 -1.06 -5.04 116.67 119.11 1q81 s ASP 129 Ca 0.00 -0.06 -0.01 0.00 0.71 0.00 0.00 52.55 53.18 1q81 s ASP 129 Cb 0.00 -1.60 0.15 0.00 1.01 0.00 0.00 42.92 42.48 1q81 s ASP 129 CO 0.00 0.01 0.44 -0.69 0.21 0.00 0.00 175.17 175.14 1q81 s VAL 130 N -1.89 -0.72 0.06 -1.27 1.01 -0.50 -3.19 120.40 113.89 1q81 s VAL 130 Ca 0.33 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1q81 s VAL 130 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1q81 s VAL 130 CO 0.26 -0.11 0.08 -0.89 0.00 0.00 0.00 175.10 174.43 1q81 s THR 131 N 2.63 4.59 -0.23 3.92 2.01 0.26 -1.70 115.64 127.12 1q81 s THR 131 Ca 0.14 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1q81 s THR 131 Cb -0.15 -3.18 0.06 0.00 0.01 0.00 0.00 72.50 69.24 1q81 s THR 131 CO -0.20 0.19 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.16 1q81 s VAL 132 N -1.34 1.60 -0.14 3.82 1.01 -0.76 -2.06 120.40 122.54 1q81 s VAL 132 Ca 0.28 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1q81 s VAL 132 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1q81 s VAL 132 CO 0.20 -0.02 0.63 0.21 0.00 0.00 0.00 175.10 176.11 1q81 s ASN 133 N 1.37 6.79 0.03 3.32 3.04 -1.05 -3.31 114.94 125.14 1q81 s ASN 133 Ca -0.05 0.96 0.08 0.00 0.04 0.00 0.00 52.86 53.89 1q81 s ASN 133 Cb -0.18 -2.36 -0.03 0.00 -1.54 0.00 0.00 41.25 37.14 1q81 s ASN 133 CO -0.07 -0.17 -0.25 -0.76 -3.04 0.00 0.00 177.10 172.82 1q81 s LEU 134 N 1.29 2.13 0.02 3.21 1.43 -1.26 -1.94 118.68 123.57 1q81 s LEU 134 Ca 0.31 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 1q81 s LEU 134 Cb -0.16 -1.21 0.10 0.00 0.03 0.00 0.00 46.19 44.94 1q81 s LEU 134 CO 0.13 0.25 0.92 0.54 0.23 0.00 0.00 176.35 178.42 1q81 s VAL 135 N -0.74 0.00 0.38 -1.59 0.11 -1.12 -4.81 120.40 112.64 1q81 s VAL 135 Ca 0.10 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 1q81 s VAL 135 Cb -0.10 -1.22 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1q81 s VAL 135 CO 0.01 0.00 0.69 0.00 -3.33 0.00 0.00 175.10 172.47 1q81 s ARG 136 N -3.12 3.68 0.07 1.54 1.70 -1.26 -2.94 118.95 118.63 1q81 s ARG 136 Ca 0.07 0.25 0.01 0.00 -0.47 0.00 0.00 55.73 55.59 1q81 s ARG 136 Cb -0.01 -2.48 0.18 0.00 -0.57 0.00 0.00 34.95 32.07 1q81 s ARG 136 CO -0.07 0.03 0.33 -2.30 -1.08 0.00 0.00 175.30 172.21 1q81 n PRO 137 N -1.34 -0.02 -0.75 3.89 -0.02 -1.26 -2.91 135.00 132.60 1q81 n PRO 137 Ca 0.01 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 1q81 n PRO 137 Cb 0.54 -0.50 0.06 0.00 -0.02 0.00 0.00 33.50 33.58 1q81 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q81 n GLY 138 N -1.10 3.67 0.17 -1.23 0.00 -1.26 -4.52 105.19 100.93 1q81 n GLY 138 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.28 1q81 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1q81 h TYR 139 N 0.97 0.00 -0.82 1.61 3.20 -1.93 -3.15 116.97 116.85 1q81 h TYR 139 Ca 0.30 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.36 1q81 h TYR 139 Cb 1.43 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 1q81 h TYR 139 CO 0.80 0.43 0.55 -0.09 -1.64 0.00 0.00 178.16 178.22 1q81 h ARG 140 N 0.00 0.31 -1.01 1.82 2.43 -1.91 0.18 114.38 116.20 1q81 h ARG 140 Ca -0.00 -0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.38 1q81 h ARG 140 Cb 0.79 -0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 1q81 h ARG 140 CO 0.06 0.20 0.62 0.28 -1.51 0.00 0.00 179.97 179.62 1q81 h VAL 141 N 0.32 0.58 0.00 0.20 2.07 -1.88 0.23 116.25 117.77 1q81 h VAL 141 Ca 0.41 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1q81 h VAL 141 Cb 1.13 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1q81 h VAL 141 CO -0.12 0.10 -0.48 0.00 0.02 0.00 0.00 177.57 177.09 1q81 h ALA 142 N 1.67 0.77 -0.01 1.67 0.00 -0.65 -1.71 119.26 121.00 1q81 h ALA 142 Ca 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1q81 h ALA 142 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1q81 h ALA 142 CO -0.38 0.09 -0.15 1.63 0.00 0.00 0.00 179.25 180.44 1q81 n LYS 143 N -2.94 1.44 -2.11 0.00 4.76 0.07 -4.69 118.16 114.68 1q81 n LYS 143 Ca 0.02 -1.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.17 1q81 n LYS 143 Cb 0.57 -1.22 0.18 0.00 -1.84 0.00 0.00 35.03 32.71 1q81 n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1q81 s ARG 144 N -1.42 0.77 -0.20 1.97 1.70 0.60 -5.05 118.95 117.33 1q81 s ARG 144 Ca 0.13 -0.66 -0.19 0.00 -0.47 0.00 0.00 55.73 54.54 1q81 s ARG 144 Cb 0.11 -1.96 -0.16 0.00 -0.57 0.00 0.00 34.95 32.37 1q81 s ARG 144 CO 0.26 -2.25 0.12 -0.25 -1.08 0.00 0.00 175.30 172.09 1q81 n ASP 145 N -3.57 1.86 -4.73 -2.89 10.43 -1.26 -4.62 116.55 111.76 1q81 n ASP 145 Ca 0.16 0.45 -0.41 0.00 2.57 0.00 0.00 54.79 57.57 1q81 n ASP 145 Cb 0.60 -0.94 -0.04 0.00 1.84 0.00 0.00 41.12 42.57 1q81 n ASP 145 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1q81 s LYS 146 N -2.35 4.57 -1.08 -1.24 1.02 -1.26 -4.02 119.74 115.38 1q81 s LYS 146 Ca -0.27 1.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.93 1q81 s LYS 146 Cb 0.06 -3.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1q81 s LYS 146 CO 0.52 0.18 0.22 0.00 -0.92 0.00 0.00 175.35 175.35 1q81 n ALA 147 N 3.09 -0.92 -1.13 5.17 0.00 -1.26 -4.91 120.51 120.55 1q81 n ALA 147 Ca 0.01 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 1q81 n ALA 147 Cb 0.50 -2.03 0.11 0.00 0.00 0.00 0.00 19.45 18.03 1q81 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q81 n SER 148 N -2.01 0.22 -3.70 0.00 3.41 -1.26 -4.99 113.62 105.29 1q81 n SER 148 Ca -0.08 0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 58.96 1q81 n SER 148 Cb 0.57 -1.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.03 1q81 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1q81 s ARG 149 N -3.72 0.67 0.25 4.33 6.06 -0.64 -4.98 118.95 120.92 1q81 s ARG 149 Ca 0.70 0.25 -0.30 0.00 -2.50 0.00 0.00 55.73 53.88 1q81 s ARG 149 Cb -0.30 0.31 -0.09 0.00 0.06 0.00 0.00 34.95 34.93 1q81 s ARG 149 CO 0.54 -0.15 1.28 0.45 -2.50 0.00 0.00 175.30 174.91 1q81 s SER 150 N -0.62 6.92 0.06 -2.12 0.15 -1.26 -3.32 113.70 113.51 1q81 s SER 150 Ca -0.07 2.46 -0.31 0.00 0.70 0.00 0.00 55.95 58.73 1q81 s SER 150 Cb -0.03 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1q81 s SER 150 CO 0.04 -0.47 1.34 -0.63 1.20 0.00 0.00 173.24 174.72 1q81 s ILE 151 N -0.41 3.66 0.63 6.45 -1.09 -1.26 -4.98 121.20 124.20 1q81 s ILE 151 Ca 0.53 1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 59.91 1q81 s ILE 151 Cb -0.37 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1q81 s ILE 151 CO 0.42 0.05 0.86 -2.65 -1.23 0.00 0.00 174.94 172.40 1q81 n PRO 152 N 4.48 0.72 -0.02 2.79 -0.02 -1.26 -4.78 135.00 136.91 1q81 n PRO 152 Ca 0.11 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1q81 n PRO 152 Cb 0.44 -2.08 0.48 0.00 -0.02 0.00 0.00 33.50 32.32 1q81 n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1q81 h THR 153 N 0.25 0.99 -0.44 3.45 1.35 -1.96 -1.57 112.91 114.98 1q81 h THR 153 Ca -0.48 -0.15 -0.13 0.00 -0.55 0.00 0.00 66.41 65.10 1q81 h THR 153 Cb 1.37 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1q81 h THR 153 CO 0.49 0.08 -0.24 0.11 -0.25 0.00 0.00 175.52 175.71 1q81 h LYS 154 N 0.43 0.94 -0.00 4.72 6.56 -2.03 -2.88 116.57 124.31 1q81 h LYS 154 Ca 0.21 -0.42 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 1q81 h LYS 154 Cb 0.26 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1q81 h LYS 154 CO -0.05 1.08 -0.02 1.58 -2.06 0.00 0.00 179.45 179.98 1q81 n HIS 155 N -4.14 0.00 -1.64 -1.35 -0.00 -0.74 -4.84 115.22 102.50 1q81 n HIS 155 Ca -0.01 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.87 1q81 n HIS 155 Cb 0.46 -0.07 0.06 0.00 -0.12 0.00 0.00 29.99 30.33 1q81 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1q81 s ARG 156 N -2.16 2.65 -0.12 1.57 1.81 -0.67 -4.73 118.95 117.30 1q81 s ARG 156 Ca 0.40 0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 55.00 1q81 s ARG 156 Cb 0.21 -1.98 -0.05 0.00 -0.45 0.00 0.00 34.95 32.69 1q81 s ARG 156 CO 0.40 -1.24 0.35 -1.17 -0.68 0.00 0.00 175.30 172.95 1q81 s LEU 157 N -5.57 4.29 0.20 2.53 2.96 -1.26 -5.03 118.68 116.80 1q81 s LEU 157 Ca 0.59 0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 55.08 1q81 s LEU 157 Cb -0.13 -2.47 -0.06 0.00 0.50 0.00 0.00 46.19 44.02 1q81 s LEU 157 CO 0.54 0.12 0.48 0.20 -1.32 0.00 0.00 176.35 176.37 1q81 s ASN 158 N 0.21 6.54 0.28 3.68 -0.87 -1.26 -3.22 114.94 120.30 1q81 s ASN 158 Ca 0.20 0.75 -0.02 0.00 -1.57 0.00 0.00 52.86 52.22 1q81 s ASN 158 Cb -0.14 -2.16 0.61 0.00 -0.02 0.00 0.00 41.25 39.54 1q81 s ASN 158 CO 0.07 -0.04 1.61 -0.65 -2.57 0.00 0.00 177.10 175.52 1q81 h PRO 159 N 2.53 0.08 0.63 -0.60 0.11 -1.75 0.62 132.00 133.63 1q81 h PRO 159 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1q81 h PRO 159 Cb 1.17 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1q81 h PRO 159 CO 0.70 0.05 -0.30 0.00 -0.21 0.00 0.00 178.00 178.24 1q81 h ALA 160 N 1.84 -0.85 -0.21 -0.75 0.00 -1.93 -1.09 119.26 116.26 1q81 h ALA 160 Ca 0.51 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1q81 h ALA 160 Cb 0.99 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1q81 h ALA 160 CO -0.77 -0.95 0.31 -0.44 0.00 0.00 0.00 179.25 177.40 1q81 h ASP 161 N -0.91 0.00 0.04 0.00 3.32 -1.48 -1.29 116.42 116.09 1q81 h ASP 161 Ca -0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1q81 h ASP 161 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1q81 h ASP 161 CO 0.14 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.64 1q81 h ALA 162 N 1.57 -0.05 -0.51 3.45 0.00 -0.49 -3.10 119.26 120.13 1q81 h ALA 162 Ca 0.10 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1q81 h ALA 162 Cb 0.72 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1q81 h ALA 162 CO -0.00 -0.09 -0.20 0.28 0.00 0.00 0.00 179.25 179.25 1q81 h VAL 163 N -0.94 0.37 -0.13 0.00 2.07 -0.07 -1.86 116.25 115.70 1q81 h VAL 163 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1q81 h VAL 163 Cb 0.63 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1q81 h VAL 163 CO 0.01 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.34 1q81 h ALA 164 N 1.32 -0.26 -0.23 1.67 0.00 -1.54 0.59 119.26 120.83 1q81 h ALA 164 Ca 0.24 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1q81 h ALA 164 Cb 0.45 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1q81 h ALA 164 CO -0.57 -0.72 -0.18 0.35 0.00 0.00 0.00 179.25 178.13 1q81 h PHE 165 N -0.33 -0.45 0.01 0.00 3.57 -1.28 -0.79 116.94 117.67 1q81 h PHE 165 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1q81 h PHE 165 Cb 0.48 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1q81 h PHE 165 CO -0.35 -0.25 -0.00 0.82 -2.23 0.00 0.00 178.31 176.29 1q81 h ILE 166 N -0.18 1.48 -1.02 1.41 2.04 -1.18 -3.14 117.51 116.93 1q81 h ILE 166 Ca 0.13 -1.52 0.28 0.00 1.00 0.00 0.00 64.86 64.76 1q81 h ILE 166 Cb 0.37 2.50 -0.13 0.00 -0.74 0.00 0.00 36.82 38.82 1q81 h ILE 166 CO -0.33 0.39 0.60 -0.08 0.00 0.00 0.00 178.15 178.73 1q81 h GLU 167 N -0.67 0.44 -1.28 2.37 4.81 0.24 0.76 114.58 121.24 1q81 h GLU 167 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1q81 h GLU 167 Cb 0.65 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1q81 h GLU 167 CO 0.00 0.29 0.00 0.45 -0.73 0.00 0.00 179.01 179.02 1q81 n SER 168 N -4.92 2.56 -2.85 1.04 2.88 -0.31 -3.84 113.62 108.18 1q81 n SER 168 Ca 0.29 -1.64 -0.11 0.00 -1.33 0.00 0.00 58.87 56.08 1q81 n SER 168 Cb 0.88 -0.44 0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1q81 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q81 n THR 169 N 0.70 -0.08 -1.73 2.46 -1.04 0.26 -5.01 114.28 109.84 1q81 n THR 169 Ca 0.00 -2.21 0.00 0.00 -2.04 0.00 0.00 64.05 59.80 1q81 n THR 169 Cb 0.40 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 1q81 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1q81 n TYR 170 N 0.76 0.00 -3.60 -1.42 4.02 -1.25 -5.02 117.16 110.64 1q81 n TYR 170 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1q81 n TYR 170 Cb 0.66 -1.79 0.00 0.00 -0.02 0.00 0.00 39.34 38.20 1q81 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1q81 n ASP 171 N -0.91 0.00 -3.99 7.72 5.68 -1.25 -4.92 116.55 118.89 1q81 n ASP 171 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 1q81 n ASP 171 Cb 0.44 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.30 1q81 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1q81 s VAL 172 N -3.00 0.21 0.00 2.12 1.01 -1.26 -4.77 120.40 114.71 1q81 s VAL 172 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1q81 s VAL 172 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1q81 s VAL 172 CO 0.00 -0.40 0.00 -1.84 0.00 0.00 0.00 175.10 172.86 1q81 n GLU 173 N 1.76 0.46 0.00 2.72 0.28 -1.26 -4.94 120.64 119.67 1q81 n GLU 173 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1q81 n GLU 173 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1q81 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25