#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s LYS 2 N 0.00 4.62 -0.12 4.33 -0.14 -1.26 -4.98 119.74 122.19 1q81 s LYS 2 Ca 0.00 1.22 -0.11 0.00 -1.36 0.00 0.00 55.97 55.72 1q81 s LYS 2 Cb 0.00 -3.28 -0.26 0.00 -1.68 0.00 0.00 37.83 32.62 1q81 s LYS 2 CO 0.00 0.53 0.40 1.15 -0.76 0.00 0.00 175.35 176.67 1q81 h THR 3 N 3.38 0.75 -2.35 2.17 2.02 -2.04 -3.46 112.91 113.38 1q81 h THR 3 Ca -0.46 -2.34 -0.54 0.00 0.77 0.00 0.00 66.41 63.84 1q81 h THR 3 Cb 1.21 2.51 0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1q81 h THR 3 CO 0.67 0.78 1.22 -3.20 0.37 0.00 0.00 175.52 175.36 1q81 n ASN 4 N -3.70 4.14 0.18 4.18 2.85 -1.26 -4.85 115.26 116.79 1q81 n ASN 4 Ca -0.30 0.91 0.04 0.00 -0.11 0.00 0.00 54.58 55.12 1q81 n ASN 4 Cb 0.98 -1.52 0.32 0.00 1.24 0.00 0.00 39.78 40.79 1q81 n ASN 4 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1q81 h PRO 5 N 10.39 0.00 0.25 1.20 0.11 -1.98 -1.94 132.00 140.03 1q81 h PRO 5 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1q81 h PRO 5 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1q81 h PRO 5 CO 0.94 0.42 -0.12 0.00 -0.21 0.00 0.00 178.00 179.02 1q81 h ARG 6 N 0.00 -0.33 -0.38 1.05 3.08 -1.99 -1.86 114.38 113.95 1q81 h ARG 6 Ca -0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.18 1q81 h ARG 6 Cb 0.89 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1q81 h ARG 6 CO 0.05 -0.09 0.34 1.25 -1.07 0.00 0.00 179.97 180.46 1q81 h LEU 7 N -1.03 0.00 -0.29 3.04 5.85 -1.96 0.16 115.31 121.08 1q81 h LEU 7 Ca -0.03 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1q81 h LEU 7 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1q81 h LEU 7 CO 0.06 0.00 -0.77 -1.28 -0.34 0.00 0.00 178.44 176.11 1q81 h SER 8 N 0.00 0.68 0.01 1.25 0.87 -1.32 -2.54 113.55 112.49 1q81 h SER 8 Ca 0.18 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1q81 h SER 8 Cb 0.86 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1q81 h SER 8 CO -0.00 1.22 -0.00 0.28 -0.53 0.00 0.00 176.83 177.79 1q81 h SER 9 N 0.38 -0.01 -0.72 6.23 0.02 0.10 -2.80 113.55 116.74 1q81 h SER 9 Ca -0.04 -0.70 0.15 0.00 -0.84 0.00 0.00 61.79 60.35 1q81 h SER 9 Cb 1.37 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.78 1q81 h SER 9 CO 0.14 0.70 -0.16 0.25 -1.14 0.00 0.00 176.83 176.63 1q81 h LEU 10 N -0.73 -0.63 -0.64 5.07 5.85 -1.08 0.45 115.31 123.60 1q81 h LEU 10 Ca -0.00 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1q81 h LEU 10 Cb 0.71 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1q81 h LEU 10 CO 0.00 -0.23 0.39 0.40 -0.34 0.00 0.00 178.44 178.66 1q81 h ILE 11 N 0.01 1.06 -0.21 4.05 2.04 -1.50 0.33 117.51 123.28 1q81 h ILE 11 Ca 0.35 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1q81 h ILE 11 Cb 0.55 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1q81 h ILE 11 CO -0.73 0.14 0.11 0.00 0.00 0.00 0.00 178.15 177.67 1q81 h ALA 12 N 1.29 0.26 -0.41 1.87 0.00 -0.03 -1.46 119.26 120.78 1q81 h ALA 12 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1q81 h ALA 12 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1q81 h ALA 12 CO -0.12 -0.30 0.21 -0.44 0.00 0.00 0.00 179.25 178.60 1q81 h ASP 13 N 0.23 0.52 -0.87 0.00 3.32 0.42 -1.14 116.42 118.91 1q81 h ASP 13 Ca 0.09 -0.11 0.16 0.00 0.02 0.00 0.00 57.03 57.18 1q81 h ASP 13 Cb 0.02 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.33 1q81 h ASP 13 CO -0.06 0.48 0.45 -0.07 -1.72 0.00 0.00 179.24 178.33 1q81 h LEU 14 N 0.52 0.54 0.88 1.55 3.38 -0.03 -0.97 115.31 121.18 1q81 h LEU 14 Ca 0.14 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1q81 h LEU 14 Cb 0.09 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1q81 h LEU 14 CO -0.02 0.21 -0.42 0.11 0.09 0.00 0.00 178.44 178.41 1q81 h LYS 15 N 0.62 -1.13 -0.99 1.13 1.57 -0.58 -1.79 116.57 115.41 1q81 h LYS 15 Ca 0.48 0.08 0.35 0.00 -1.87 0.00 0.00 60.65 59.69 1q81 h LYS 15 Cb 0.71 0.26 -0.17 0.00 0.08 0.00 0.00 32.23 33.11 1q81 h LYS 15 CO -0.38 -0.76 0.43 1.03 -0.57 0.00 0.00 179.45 179.20 1q81 h SER 16 N -1.32 0.19 0.10 0.86 0.87 -0.34 -0.25 113.55 113.67 1q81 h SER 16 Ca -0.12 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1q81 h SER 16 Cb 0.90 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1q81 h SER 16 CO 0.20 -0.33 -0.05 0.00 -0.53 0.00 0.00 176.83 176.12 1q81 h ALA 17 N 1.94 -0.14 -1.00 6.23 0.00 -1.08 -2.61 119.26 122.59 1q81 h ALA 17 Ca 0.75 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.59 1q81 h ALA 17 Cb 1.83 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 1q81 h ALA 17 CO -0.75 -0.30 0.62 0.00 0.00 0.00 0.00 179.25 178.82 1q81 h ALA 18 N 0.06 1.66 0.32 0.00 0.00 -0.17 0.68 119.26 121.80 1q81 h ALA 18 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q81 h ALA 18 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q81 h ALA 18 CO 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 1q81 h ARG 19 N 0.80 -0.41 0.00 0.00 3.08 -1.38 -3.34 114.38 113.13 1q81 h ARG 19 Ca 0.57 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.64 1q81 h ARG 19 Cb 0.84 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1q81 h ARG 19 CO -0.36 -0.27 0.00 0.43 -1.07 0.00 0.00 179.97 178.70 1q81 n SER 20 N -4.39 0.00 -4.22 7.04 7.64 -0.98 -4.67 113.62 114.03 1q81 n SER 20 Ca -0.05 0.61 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 1q81 n SER 20 Cb 0.17 -0.11 0.20 0.00 -1.01 0.00 0.00 64.21 63.46 1q81 n SER 20 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1q81 n SER 21 N -0.97 -2.40 -0.16 6.43 7.64 0.22 -4.87 113.62 119.50 1q81 n SER 21 Ca 0.00 -0.22 0.15 0.00 1.01 0.00 0.00 58.87 59.81 1q81 n SER 21 Cb 0.00 -1.01 0.69 0.00 -1.01 0.00 0.00 64.21 62.88 1q81 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q81 n GLY 22 N 1.83 -0.78 3.20 0.23 0.00 -1.26 -4.65 105.19 103.77 1q81 n GLY 22 Ca 0.02 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1q81 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 23 N 1.18 -3.41 0.00 -0.02 0.00 -1.22 -4.93 105.19 96.80 1q81 n GLY 23 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1q81 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 n ALA 24 N -2.03 0.91 -0.09 4.61 0.00 -1.26 -4.72 120.51 117.93 1q81 n ALA 24 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1q81 n ALA 24 Cb 0.51 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1q81 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1q81 h VAL 25 N 0.00 1.30 -0.49 0.00 -1.51 -1.92 -1.76 116.25 111.88 1q81 h VAL 25 Ca 0.00 -1.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1q81 h VAL 25 Cb 0.14 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.83 1q81 h VAL 25 CO 0.00 0.41 0.27 -0.50 -1.23 0.00 0.00 177.57 176.51 1q81 h TRP 26 N 0.33 0.68 -0.39 5.19 -0.00 -1.88 0.26 115.95 120.14 1q81 h TRP 26 Ca 0.05 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 58.81 1q81 h TRP 26 Cb 0.71 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1q81 h TRP 26 CO 0.07 0.51 -0.24 0.78 -0.00 0.00 0.00 178.44 179.56 1q81 h GLY 27 N 0.65 0.85 0.98 1.49 0.00 -1.76 0.73 103.07 106.00 1q81 h GLY 27 Ca 0.17 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1q81 h GLY 27 CO -0.03 0.67 0.14 -1.80 0.00 0.00 0.00 176.54 175.53 1q81 h ASP 28 N 0.68 0.28 -0.51 0.19 3.58 -0.78 -1.63 116.42 118.22 1q81 h ASP 28 Ca 0.09 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1q81 h ASP 28 Cb 0.76 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1q81 h ASP 28 CO 0.06 0.24 0.12 0.58 -2.88 0.00 0.00 179.24 177.36 1q81 h VAL 29 N 0.29 1.24 -0.64 2.25 2.07 -0.33 -2.18 116.25 118.95 1q81 h VAL 29 Ca 0.08 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.88 1q81 h VAL 29 Cb 0.01 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 1q81 h VAL 29 CO -0.02 0.31 0.03 0.00 0.02 0.00 0.00 177.57 177.92 1q81 h ALA 30 N 1.00 0.67 -0.11 1.67 0.00 -0.38 0.21 119.26 122.32 1q81 h ALA 30 Ca 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1q81 h ALA 30 Cb 0.34 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1q81 h ALA 30 CO 0.00 -0.38 0.01 0.93 0.00 0.00 0.00 179.25 179.81 1q81 h GLU 31 N 0.14 0.18 -0.44 0.00 5.08 -1.02 -1.30 114.58 117.22 1q81 h GLU 31 Ca 0.34 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1q81 h GLU 31 Cb 0.56 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1q81 h GLU 31 CO -0.53 0.39 0.17 -0.09 -1.00 0.00 0.00 179.01 177.96 1q81 h ARG 32 N -0.06 0.34 -0.44 2.33 9.65 -0.68 -0.70 114.38 124.81 1q81 h ARG 32 Ca 0.03 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1q81 h ARG 32 Cb 0.31 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 1q81 h ARG 32 CO 0.00 0.22 0.30 -0.07 2.80 0.00 0.00 179.97 183.23 1q81 h LEU 33 N 0.35 0.28 -0.92 3.80 3.38 -0.44 0.27 115.31 122.03 1q81 h LEU 33 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1q81 h LEU 33 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1q81 h LEU 33 CO -0.19 0.18 -0.25 -0.33 0.09 0.00 0.00 178.44 177.94 1q81 h GLU 34 N 0.31 0.00 -7.31 1.13 5.08 0.05 -3.45 114.58 110.39 1q81 h GLU 34 Ca 0.20 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.06 1q81 h GLU 34 Cb 0.38 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.78 1q81 h GLU 34 CO -0.04 0.25 0.26 0.15 -1.00 0.00 0.00 179.01 178.62 1q81 s LYS 35 N -3.54 1.43 0.12 2.33 1.02 0.96 -4.92 119.74 117.14 1q81 s LYS 35 Ca 0.01 1.00 -0.35 0.00 0.02 0.00 0.00 55.97 56.65 1q81 s LYS 35 Cb 0.10 -1.82 -0.17 0.00 -0.52 0.00 0.00 37.83 35.43 1q81 s LYS 35 CO 0.65 -2.17 1.22 -2.30 -0.92 0.00 0.00 175.35 171.83 1q81 n PRO 36 N -3.86 1.02 -0.33 -1.68 -0.02 -1.26 -4.80 135.00 124.08 1q81 n PRO 36 Ca 0.08 0.37 0.28 0.00 -2.02 0.00 0.00 63.50 62.20 1q81 n PRO 36 Cb 0.54 -1.92 0.52 0.00 -0.02 0.00 0.00 33.50 32.62 1q81 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 h ARG 37 N 3.83 0.11 -0.09 -0.52 3.08 -1.91 0.85 114.38 119.73 1q81 h ARG 37 Ca -0.46 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.61 1q81 h ARG 37 Cb 1.35 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1q81 h ARG 37 CO 0.73 0.07 0.07 0.07 -1.07 0.00 0.00 179.97 179.83 1q81 h ARG 38 N 0.11 0.00 0.00 0.04 0.11 -2.01 -0.90 114.38 111.73 1q81 h ARG 38 Ca 0.79 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.87 1q81 h ARG 38 Cb 1.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.04 1q81 h ARG 38 CO -0.73 0.00 -0.29 1.79 0.10 0.00 0.00 179.97 180.85 1q81 h THR 39 N 0.00 0.00 -4.25 0.08 1.35 0.40 -3.47 112.91 107.02 1q81 h THR 39 Ca 0.04 -0.61 -0.52 0.00 -0.55 0.00 0.00 66.41 64.78 1q81 h THR 39 Cb 0.17 1.43 0.18 0.00 -1.73 0.00 0.00 68.15 68.20 1q81 h THR 39 CO -0.00 0.00 0.24 -1.00 -0.25 0.00 0.00 175.52 174.51 1q81 s HIS 40 N -3.16 1.88 0.32 4.73 3.76 -0.35 -4.96 115.29 117.51 1q81 s HIS 40 Ca 0.08 1.71 -0.22 0.00 -0.15 0.00 0.00 55.06 56.48 1q81 s HIS 40 Cb 0.11 -3.26 -0.10 0.00 1.11 0.00 0.00 32.58 30.45 1q81 s HIS 40 CO 0.67 -2.57 0.86 0.00 -0.85 0.00 0.00 174.74 172.85 1q81 s ALA 41 N -2.72 3.24 -0.28 -1.40 0.00 -1.13 -4.94 121.76 114.53 1q81 s ALA 41 Ca 0.65 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 1q81 s ALA 41 Cb -0.21 -3.02 0.10 0.00 0.00 0.00 0.00 23.12 19.98 1q81 s ALA 41 CO 0.58 0.23 0.12 -1.21 0.00 0.00 0.00 175.76 175.47 1q81 s GLU 42 N -2.40 0.30 -0.06 0.00 2.02 -1.25 0.30 118.70 117.61 1q81 s GLU 42 Ca 0.51 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.94 1q81 s GLU 42 Cb -0.15 -1.40 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 1q81 s GLU 42 CO 0.20 -0.98 -0.21 0.08 0.02 0.00 0.00 175.26 174.37 1q81 s VAL 43 N 2.00 1.75 0.51 2.63 1.01 -0.77 -4.95 120.40 122.58 1q81 s VAL 43 Ca 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1q81 s VAL 43 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1q81 s VAL 43 CO -0.32 0.49 0.79 0.20 0.00 0.00 0.00 175.10 176.26 1q81 s ASN 44 N 0.11 5.87 0.22 3.32 0.01 -1.26 -0.46 114.94 122.76 1q81 s ASN 44 Ca -0.08 0.65 -0.07 0.00 -0.71 0.00 0.00 52.86 52.64 1q81 s ASN 44 Cb -0.14 -1.82 0.32 0.00 0.41 0.00 0.00 41.25 40.02 1q81 s ASN 44 CO 0.04 -0.80 1.78 -0.07 -1.51 0.00 0.00 177.10 176.54 1q81 h LEU 45 N 0.13 0.46 -1.42 0.60 3.38 -0.99 -2.37 115.31 115.10 1q81 h LEU 45 Ca -0.46 0.06 0.42 0.00 0.09 0.00 0.00 57.88 57.98 1q81 h LEU 45 Cb 1.24 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1q81 h LEU 45 CO 0.60 0.27 0.84 1.23 0.09 0.00 0.00 178.44 181.47 1q81 h GLY 46 N 0.60 1.26 0.01 0.83 0.00 -1.67 0.20 103.07 104.30 1q81 h GLY 46 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1q81 h GLY 46 CO -0.26 -0.36 -0.00 -0.09 0.00 0.00 0.00 176.54 175.83 1q81 h ARG 47 N 0.11 -0.00 -0.76 4.80 2.43 -1.74 -3.11 114.38 116.12 1q81 h ARG 47 Ca 0.80 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 60.07 1q81 h ARG 47 Cb 2.48 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.96 1q81 h ARG 47 CO -0.39 0.97 0.39 0.82 -1.51 0.00 0.00 179.97 180.25 1q81 h ILE 48 N -0.99 0.84 -0.95 1.20 2.04 -1.03 0.18 117.51 118.81 1q81 h ILE 48 Ca -0.00 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1q81 h ILE 48 Cb 0.97 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1q81 h ILE 48 CO 0.00 0.12 0.62 -0.08 0.00 0.00 0.00 178.15 178.80 1q81 h GLU 49 N 0.64 1.16 -0.23 2.37 4.57 -0.83 -1.61 114.58 120.66 1q81 h GLU 49 Ca 0.38 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.36 1q81 h GLU 49 Cb 0.41 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1q81 h GLU 49 CO -0.28 0.77 -0.38 -0.09 -1.18 0.00 0.00 179.01 177.85 1q81 h ARG 50 N 1.20 0.52 -0.04 1.92 2.43 -0.60 -3.36 114.38 116.44 1q81 h ARG 50 Ca 0.38 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1q81 h ARG 50 Cb -0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1q81 h ARG 50 CO -0.12 0.81 0.00 0.66 -1.51 0.00 0.00 179.97 179.81 1q81 n TYR 51 N -4.04 0.05 -3.01 2.20 4.02 -0.69 -5.04 117.16 110.64 1q81 n TYR 51 Ca -0.01 -0.16 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 1q81 n TYR 51 Cb 0.49 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.81 1q81 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q81 s ALA 52 N -0.55 3.71 -0.13 -0.72 0.00 -0.62 -5.08 121.76 118.37 1q81 s ALA 52 Ca 0.06 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1q81 s ALA 52 Cb 0.04 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1q81 s ALA 52 CO 0.05 -0.33 0.31 1.14 0.00 0.00 0.00 175.76 176.94 1q81 s GLN 53 N -4.54 0.30 0.24 0.00 -2.07 -1.26 -4.99 119.66 107.34 1q81 s GLN 53 Ca 0.47 0.60 -0.27 0.00 -1.82 0.00 0.00 55.36 54.34 1q81 s GLN 53 Cb -0.10 -0.03 -0.16 0.00 -1.09 0.00 0.00 33.01 31.63 1q81 s GLN 53 CO 0.38 -0.14 0.60 0.39 -1.32 0.00 0.00 175.29 175.21 1q81 n GLU 54 N 4.00 0.32 -1.04 9.60 1.02 -1.26 -1.76 120.64 131.51 1q81 n GLU 54 Ca -0.22 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1q81 n GLU 54 Cb 0.55 -1.21 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 1q81 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q81 n ASP 55 N 1.82 -3.81 -3.81 1.62 8.00 -1.26 -4.98 116.55 114.13 1q81 n ASP 55 Ca 0.15 0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.39 1q81 n ASP 55 Cb 0.28 -1.42 -0.15 0.00 -0.02 0.00 0.00 41.12 39.80 1q81 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1q81 s GLU 56 N -0.99 0.97 0.05 -1.24 2.12 -0.72 -4.95 118.70 113.94 1q81 s GLU 56 Ca 0.00 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.02 1q81 s GLU 56 Cb 0.00 -2.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.03 1q81 s GLU 56 CO 0.00 -0.83 1.97 2.41 -0.54 0.00 0.00 175.26 178.26 1q81 n THR 57 N 4.79 0.74 -2.56 -1.70 -1.04 -0.87 -4.53 114.28 109.11 1q81 n THR 57 Ca -0.05 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1q81 n THR 57 Cb 0.43 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.60 1q81 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q81 s VAL 58 N 4.31 4.47 -0.24 12.58 1.01 0.75 -0.35 120.40 142.93 1q81 s VAL 58 Ca 0.88 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 64.63 1q81 s VAL 58 Cb -0.43 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1q81 s VAL 58 CO 0.42 0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1q81 s VAL 59 N 1.56 2.67 -0.40 2.92 1.01 0.25 0.84 120.40 129.24 1q81 s VAL 59 Ca 0.54 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1q81 s VAL 59 Cb -0.24 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.86 1q81 s VAL 59 CO 0.25 0.21 0.23 -0.69 0.00 0.00 0.00 175.10 175.10 1q81 s VAL 60 N 1.29 4.18 -0.09 2.92 1.01 -0.16 -1.09 120.40 128.45 1q81 s VAL 60 Ca -0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 1q81 s VAL 60 Cb -0.17 -3.51 -0.22 0.00 0.00 0.00 0.00 36.38 32.48 1q81 s VAL 60 CO -0.06 -0.44 3.13 -0.81 0.00 0.00 0.00 175.10 176.93 1q81 n PRO 61 N 4.90 1.80 0.00 2.72 -0.04 -1.26 -3.67 135.00 139.45 1q81 n PRO 61 Ca -0.10 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1q81 n PRO 61 Cb 0.43 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1q81 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q81 n GLY 62 N 2.65 2.27 3.42 0.55 0.00 -1.26 -2.84 105.19 109.97 1q81 n GLY 62 Ca 0.39 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1q81 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q81 s LYS 63 N 4.67 1.51 -0.14 1.61 2.20 0.15 -1.45 119.74 128.29 1q81 s LYS 63 Ca 0.00 -1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 54.18 1q81 s LYS 63 Cb 0.00 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 1q81 s LYS 63 CO 0.00 0.43 -0.10 0.08 -0.36 0.00 0.00 175.35 175.40 1q81 s VAL 64 N -1.37 3.36 0.07 4.02 1.01 0.01 -1.84 120.40 125.66 1q81 s VAL 64 Ca 0.18 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1q81 s VAL 64 Cb -0.09 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1q81 s VAL 64 CO 0.08 0.51 0.06 -0.76 0.00 0.00 0.00 175.10 174.99 1q81 s LEU 65 N 0.38 3.73 -0.15 3.92 1.43 0.40 -1.57 118.68 126.81 1q81 s LEU 65 Ca -0.08 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1q81 s LEU 65 Cb -0.15 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.79 1q81 s LEU 65 CO 0.04 0.19 1.90 0.61 0.23 0.00 0.00 176.35 179.32 1q81 n GLY 66 N 0.59 3.20 3.77 -3.19 0.00 -1.26 -2.32 105.19 105.98 1q81 n GLY 66 Ca -0.10 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1q81 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q81 s SER 67 N 1.01 6.65 0.00 1.61 0.01 -1.26 -4.81 113.70 116.91 1q81 s SER 67 Ca 0.15 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1q81 s SER 67 Cb 0.12 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1q81 s SER 67 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1q81 n GLY 68 N 2.75 -3.47 3.44 3.44 0.00 -1.26 -2.02 105.19 108.07 1q81 n GLY 68 Ca -0.11 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1q81 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 69 N -0.83 3.04 -0.19 1.61 1.01 -1.26 -4.61 120.40 119.18 1q81 s VAL 69 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1q81 s VAL 69 Cb 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1q81 s VAL 69 CO 0.00 0.57 -0.14 -0.22 0.00 0.00 0.00 175.10 175.31 1q81 s LEU 70 N -0.40 2.23 -0.12 3.92 2.96 -1.26 -4.36 118.68 121.64 1q81 s LEU 70 Ca 0.04 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1q81 s LEU 70 Cb -0.12 -1.34 -0.08 0.00 0.50 0.00 0.00 46.19 45.15 1q81 s LEU 70 CO 0.02 -0.08 -0.10 0.00 -1.32 0.00 0.00 176.35 174.87 1q81 n GLN 71 N 4.65 0.49 -1.50 1.98 6.02 -1.26 -4.80 117.38 122.96 1q81 n GLN 71 Ca -0.17 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.50 1q81 n GLN 71 Cb 0.48 -1.25 0.03 0.00 1.02 0.00 0.00 30.24 30.53 1q81 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q81 n LYS 72 N -2.82 0.64 -3.07 -1.09 5.02 -1.26 -4.86 118.16 110.71 1q81 n LYS 72 Ca -0.21 0.24 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 1q81 n LYS 72 Cb 0.74 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1q81 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1q81 n ASP 73 N 0.46 5.55 -4.62 4.39 2.03 -1.24 -4.53 116.55 118.59 1q81 n ASP 73 Ca 0.12 -3.09 -0.23 0.00 0.52 0.00 0.00 54.79 52.10 1q81 n ASP 73 Cb 0.46 -1.43 -0.08 0.00 -0.72 0.00 0.00 41.12 39.35 1q81 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1q81 s VAL 74 N -0.57 3.36 -0.34 5.18 -7.23 -1.26 -4.63 120.40 114.91 1q81 s VAL 74 Ca 0.35 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1q81 s VAL 74 Cb -0.04 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1q81 s VAL 74 CO -0.02 -0.35 0.19 -0.89 -0.31 0.00 0.00 175.10 173.72 1q81 s THR 75 N -2.28 4.74 -0.16 5.32 2.01 -1.26 -2.63 115.64 121.37 1q81 s THR 75 Ca 0.31 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.70 1q81 s THR 75 Cb -0.07 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1q81 s THR 75 CO 0.19 -0.04 0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 1q81 s VAL 76 N 1.62 5.41 -0.28 3.82 1.01 -0.94 -0.18 120.40 130.85 1q81 s VAL 76 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1q81 s VAL 76 Cb -0.18 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.79 1q81 s VAL 76 CO 0.07 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 1q81 s ALA 77 N -0.12 2.44 0.32 5.51 0.00 0.25 -0.65 121.76 129.51 1q81 s ALA 77 Ca 0.12 -1.89 0.04 0.00 0.00 0.00 0.00 51.96 50.23 1q81 s ALA 77 Cb -0.12 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1q81 s ALA 77 CO 0.01 -1.38 0.04 0.00 0.00 0.00 0.00 175.76 174.44 1q81 s ALA 78 N 1.15 2.35 0.17 0.00 0.00 -1.05 -0.99 121.76 123.38 1q81 s ALA 78 Ca -0.01 -2.04 -0.10 0.00 0.00 0.00 0.00 51.96 49.81 1q81 s ALA 78 Cb -0.19 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1q81 s ALA 78 CO -0.08 -0.28 1.60 0.28 0.00 0.00 0.00 175.76 177.28 1q81 h VAL 79 N 2.14 1.27 -2.71 0.00 2.07 -1.32 -2.98 116.25 114.72 1q81 h VAL 79 Ca -0.41 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 65.99 1q81 h VAL 79 Cb 1.24 0.94 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1q81 h VAL 79 CO 0.69 0.43 0.33 -0.62 0.02 0.00 0.00 177.57 178.42 1q81 s ASP 80 N -6.55 -0.35 -0.01 0.57 2.15 -1.20 -4.86 116.67 106.41 1q81 s ASP 80 Ca -0.12 -0.26 0.02 0.00 0.43 0.00 0.00 52.55 52.62 1q81 s ASP 80 Cb 0.13 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1q81 s ASP 80 CO 0.85 -0.99 -0.08 -0.36 -0.17 0.00 0.00 175.17 174.42 1q81 s PHE 81 N -3.57 0.76 0.47 -5.34 0.40 -1.26 -0.81 117.98 108.63 1q81 s PHE 81 Ca 0.07 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 1q81 s PHE 81 Cb -0.02 -0.52 -0.07 0.00 0.51 0.00 0.00 43.02 42.91 1q81 s PHE 81 CO -0.03 -0.05 1.27 -1.54 0.70 0.00 0.00 175.22 175.56 1q81 s SER 82 N 0.01 5.93 0.32 1.36 1.04 -0.61 -4.75 113.70 117.00 1q81 s SER 82 Ca 0.00 2.55 0.09 0.00 0.48 0.00 0.00 55.95 59.07 1q81 s SER 82 Cb -0.05 -2.62 0.85 0.00 0.10 0.00 0.00 66.02 64.29 1q81 s SER 82 CO -0.00 -1.10 1.76 1.23 0.98 0.00 0.00 173.24 176.11 1q81 h GLY 83 N 2.05 1.76 0.91 7.32 0.00 -1.99 0.70 103.07 113.82 1q81 h GLY 83 Ca -0.50 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 46.52 1q81 h GLY 83 CO 0.60 -0.15 0.04 -0.84 0.00 0.00 0.00 176.54 176.20 1q81 h THR 84 N 0.64 0.97 0.76 4.70 2.02 -1.96 -1.64 112.91 118.41 1q81 h THR 84 Ca 0.61 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.72 1q81 h THR 84 Cb 1.10 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1q81 h THR 84 CO -0.41 0.02 -0.49 0.00 0.37 0.00 0.00 175.52 175.01 1q81 h ALA 85 N 1.07 -1.24 -0.34 6.16 0.00 -1.17 0.54 119.26 124.28 1q81 h ALA 85 Ca 0.05 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1q81 h ALA 85 Cb 0.03 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1q81 h ALA 85 CO -0.05 -1.22 0.37 1.49 0.00 0.00 0.00 179.25 179.84 1q81 h GLU 86 N -1.18 0.00 0.11 0.00 4.81 -1.36 0.36 114.58 117.32 1q81 h GLU 86 Ca -0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1q81 h GLU 86 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1q81 h GLU 86 CO 0.08 0.00 -0.05 1.15 -0.73 0.00 0.00 179.01 179.46 1q81 h THR 87 N 0.00 0.58 -0.92 0.32 2.02 -0.53 -2.65 112.91 111.73 1q81 h THR 87 Ca 0.16 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.18 1q81 h THR 87 Cb 0.91 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 1q81 h THR 87 CO -0.00 0.18 0.60 0.11 0.37 0.00 0.00 175.52 176.77 1q81 h LYS 88 N -0.98 1.00 0.02 6.66 1.57 -0.16 -2.87 116.57 121.80 1q81 h LYS 88 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1q81 h LYS 88 Cb 0.40 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1q81 h LYS 88 CO 0.02 0.66 -0.01 0.82 -0.57 0.00 0.00 179.45 180.38 1q81 h ILE 89 N 1.03 1.19 0.00 1.86 2.04 -0.42 -2.76 117.51 120.46 1q81 h ILE 89 Ca 0.40 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1q81 h ILE 89 Cb 0.23 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1q81 h ILE 89 CO -0.16 0.16 0.00 0.47 0.00 0.00 0.00 178.15 178.62 1q81 n ASP 90 N -4.97 0.00 0.20 1.72 8.00 -1.00 0.48 116.55 120.98 1q81 n ASP 90 Ca -0.08 0.41 0.10 0.00 0.71 0.00 0.00 54.79 55.93 1q81 n ASP 90 Cb 0.16 -0.44 0.18 0.00 -0.02 0.00 0.00 41.12 41.00 1q81 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1q81 h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.30 -3.35 115.11 113.41 1q81 h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1q81 h GLN 91 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1q81 h GLN 91 CO 0.00 0.14 0.00 1.33 -0.67 0.00 0.00 178.83 179.63 1q81 n VAL 92 N -3.15 0.00 0.00 -0.54 0.24 -0.60 -5.10 118.33 109.18 1q81 n VAL 92 Ca 0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1q81 n VAL 92 Cb 0.57 1.61 0.00 0.00 -1.47 0.00 0.00 33.84 34.54 1q81 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q81 n GLY 93 N 0.05 3.24 3.46 7.63 0.00 0.18 -3.62 105.19 116.13 1q81 n GLY 93 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1q81 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q81 s GLU 94 N 3.87 0.54 -0.15 1.61 2.12 -1.08 -4.46 118.70 121.15 1q81 s GLU 94 Ca 0.00 1.06 -0.16 0.00 0.36 0.00 0.00 54.97 56.22 1q81 s GLU 94 Cb 0.00 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1q81 s GLU 94 CO 0.00 -0.17 0.40 0.00 -0.54 0.00 0.00 175.26 174.95 1q81 s ALA 95 N 1.74 3.53 -0.01 6.30 0.00 -1.26 -2.22 121.76 129.84 1q81 s ALA 95 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1q81 s ALA 95 Cb -0.08 -2.56 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 1q81 s ALA 95 CO -0.16 -0.02 -0.06 0.08 0.00 0.00 0.00 175.76 175.59 1q81 s VAL 96 N 0.70 0.53 0.39 0.00 1.01 0.18 -4.98 120.40 118.23 1q81 s VAL 96 Ca 0.21 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 1q81 s VAL 96 Cb -0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 1q81 s VAL 96 CO 0.07 0.16 1.22 -0.94 0.00 0.00 0.00 175.10 175.62 1q81 s SER 97 N 0.01 6.53 0.55 3.32 1.04 -1.26 -2.54 113.70 121.35 1q81 s SER 97 Ca 0.00 2.48 0.23 0.00 0.48 0.00 0.00 55.95 59.14 1q81 s SER 97 Cb -0.05 -2.63 1.52 0.00 0.10 0.00 0.00 66.02 64.97 1q81 s SER 97 CO -0.00 -0.68 2.19 -0.07 0.98 0.00 0.00 173.24 175.66 1q81 h LEU 98 N 2.82 0.00 -1.19 2.42 4.07 -1.83 0.40 115.31 122.00 1q81 h LEU 98 Ca -0.49 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 1q81 h LEU 98 Cb 1.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 1q81 h LEU 98 CO 0.63 0.02 -0.07 -0.33 -1.08 0.00 0.00 178.44 177.61 1q81 h GLU 99 N 0.00 0.47 0.05 1.13 3.07 -1.90 -0.75 114.58 116.66 1q81 h GLU 99 Ca -0.00 -0.12 -0.26 0.00 -0.50 0.00 0.00 59.36 58.48 1q81 h GLU 99 Cb 0.03 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1q81 h GLU 99 CO 0.00 0.55 -1.09 1.96 -1.40 0.00 0.00 179.01 179.03 1q81 h GLN 100 N 0.45 0.51 0.16 2.33 4.20 -1.31 -3.16 115.11 118.29 1q81 h GLN 100 Ca 0.09 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 1q81 h GLN 100 Cb 0.40 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1q81 h GLN 100 CO 0.02 1.25 -0.08 0.00 -0.67 0.00 0.00 178.83 179.35 1q81 h ALA 101 N 0.52 -0.22 -1.09 3.87 0.00 -0.99 -0.26 119.26 121.09 1q81 h ALA 101 Ca -0.13 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.03 1q81 h ALA 101 Cb 1.75 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1q81 h ALA 101 CO 0.20 -0.61 0.76 0.82 0.00 0.00 0.00 179.25 180.42 1q81 h ILE 102 N -0.24 0.47 0.14 0.00 2.04 -1.20 -0.03 117.51 118.69 1q81 h ILE 102 Ca -0.02 -0.05 -0.32 0.00 1.00 0.00 0.00 64.86 65.47 1q81 h ILE 102 Cb 0.18 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1q81 h ILE 102 CO 0.04 0.02 -1.60 -0.08 0.00 0.00 0.00 178.15 176.53 1q81 h GLU 103 N 0.14 0.30 -0.00 2.37 4.81 -1.22 -3.10 114.58 117.88 1q81 h GLU 103 Ca 0.56 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1q81 h GLU 103 Cb 1.92 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.50 1q81 h GLU 103 CO -0.11 1.18 -0.15 0.09 -0.73 0.00 0.00 179.01 179.30 1q81 n ASN 104 N -3.50 0.33 -2.75 1.04 3.02 -0.22 -4.51 115.26 108.67 1q81 n ASN 104 Ca -0.19 -0.22 -0.04 0.00 -0.03 0.00 0.00 54.58 54.10 1q81 n ASN 104 Cb 1.06 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 40.11 1q81 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1q81 n ASN 105 N -1.21 -3.18 0.00 6.41 5.15 -0.12 -5.01 115.26 117.29 1q81 n ASN 105 Ca 0.11 -2.74 0.11 0.00 -0.60 0.00 0.00 54.58 51.46 1q81 n ASN 105 Cb 0.30 1.65 0.56 0.00 -0.53 0.00 0.00 39.78 41.76 1q81 n ASN 105 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1q81 n PRO 106 N 2.76 0.28 0.00 1.20 -0.04 -1.17 -2.50 135.00 135.53 1q81 n PRO 106 Ca 0.16 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1q81 n PRO 106 Cb 0.58 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.76 1q81 n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q81 n GLU 107 N -1.31 1.33 -3.64 0.54 4.71 -1.26 -3.85 120.64 117.16 1q81 n GLU 107 Ca 0.10 -0.98 -0.26 0.00 -0.01 0.00 0.00 57.16 56.01 1q81 n GLU 107 Cb 0.19 -1.48 0.03 0.00 -1.01 0.00 0.00 31.44 29.17 1q81 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1q81 n GLY 108 N 1.35 -1.09 3.60 0.62 0.00 -1.04 -3.41 105.19 105.20 1q81 n GLY 108 Ca 0.12 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 1q81 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q81 s SER 109 N -3.29 4.49 -1.30 1.61 1.04 -1.26 -4.69 113.70 110.30 1q81 s SER 109 Ca 0.30 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 1q81 s SER 109 Cb -0.11 -0.89 -0.00 0.00 0.10 0.00 0.00 66.02 65.12 1q81 s SER 109 CO 0.86 0.17 0.61 1.41 0.98 0.00 0.00 173.24 177.27 1q81 n HIS 110 N 0.62 -1.80 -4.71 5.02 8.25 -1.26 -4.86 115.22 116.47 1q81 n HIS 110 Ca -0.13 0.69 -0.25 0.00 -0.26 0.00 0.00 57.72 57.77 1q81 n HIS 110 Cb 0.52 -3.85 -0.15 0.00 1.12 0.00 0.00 29.99 27.64 1q81 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q81 s VAL 111 N -3.73 1.54 -0.12 1.59 0.11 -1.26 -2.04 120.40 116.48 1q81 s VAL 111 Ca 0.14 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1q81 s VAL 111 Cb -0.05 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1q81 s VAL 111 CO 0.86 0.27 -0.18 -0.60 -3.33 0.00 0.00 175.10 172.11 1q81 s ARG 112 N -0.89 3.21 -0.24 1.54 6.06 0.52 -4.93 118.95 124.23 1q81 s ARG 112 Ca 0.07 -0.78 -0.19 0.00 -2.50 0.00 0.00 55.73 52.32 1q81 s ARG 112 Cb -0.08 -2.49 -0.02 0.00 0.06 0.00 0.00 34.95 32.42 1q81 s ARG 112 CO 0.01 0.17 0.58 0.08 -2.50 0.00 0.00 175.30 173.64 1q81 s VAL 113 N 0.41 5.03 -0.07 7.11 1.01 -1.26 0.85 120.40 133.49 1q81 s VAL 113 Ca -0.14 1.04 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1q81 s VAL 113 Cb -0.17 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1q81 s VAL 113 CO 0.06 0.08 -0.22 -0.63 0.00 0.00 0.00 175.10 174.40 1q81 s ILE 114 N 2.19 1.82 0.00 2.22 -1.09 -0.25 -4.93 121.20 121.16 1q81 s ILE 114 Ca 0.25 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1q81 s ILE 114 Cb -0.16 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1q81 s ILE 114 CO 0.09 0.51 0.00 -2.11 -1.23 0.00 0.00 174.94 172.20