#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal h ARG 2 N 0.00 0.65 0.00 0.00 -0.00 -1.78 -3.37 114.38 109.88 2qal h ARG 2 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2qal h ARG 2 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 29.82 2qal h ARG 2 CO 0.00 0.43 0.00 -0.89 0.00 0.00 0.00 179.97 179.51 2qal n ILE 3 N -4.84 0.00 0.00 2.04 5.41 -1.26 0.02 119.36 120.73 2qal n ILE 3 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2qal n ILE 3 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 2qal n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qal n ALA 4 N 0.38 1.88 0.00 -1.39 0.00 -1.26 -4.57 120.51 115.55 2qal n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qal n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qal n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 5 N 1.29 3.62 5.03 0.00 0.00 0.10 -4.95 105.19 110.28 2qal n GLY 5 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qal n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qal n ILE 6 N 0.00 0.00 -0.27 -0.61 5.41 -1.26 -4.82 119.36 117.82 2qal n ILE 6 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 2qal n ILE 6 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2qal n ILE 6 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qal n ASN 7 N 1.39 0.15 -3.42 4.38 5.03 -1.26 -4.45 115.26 117.07 2qal n ASN 7 Ca 0.00 0.14 -0.26 0.00 0.87 0.00 0.00 54.58 55.32 2qal n ASN 7 Cb 0.00 -0.19 -0.08 0.00 -1.02 0.00 0.00 39.78 38.49 2qal n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2qal n ILE 8 N 1.37 1.26 -2.07 2.41 -6.64 -1.26 -4.37 119.36 110.07 2qal n ILE 8 Ca 0.12 -4.75 -0.41 0.00 -1.77 0.00 0.00 62.75 55.93 2qal n ILE 8 Cb -0.01 -2.05 -0.02 0.00 -1.44 0.00 0.00 39.64 36.12 2qal n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2qal s PRO 9 N -1.86 4.31 0.13 6.28 0.04 -1.26 -4.74 135.00 137.90 2qal s PRO 9 Ca 0.36 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.67 2qal s PRO 9 Cb 0.12 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2qal s PRO 9 CO -0.07 -0.30 -0.03 -0.51 0.04 0.00 0.00 177.00 176.13 2qal s ASP 10 N -0.09 1.10 0.00 6.66 1.01 -1.26 -4.53 116.67 119.56 2qal s ASP 10 Ca 0.54 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.72 2qal s ASP 10 Cb -0.41 0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2qal s ASP 10 CO 0.49 -0.52 0.00 1.41 0.21 0.00 0.00 175.17 176.76 2qal n HIS 11 N -0.11 0.00 -1.37 4.23 8.25 -1.26 -4.89 115.22 120.07 2qal n HIS 11 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 2qal n HIS 11 Cb 0.62 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.76 2qal n HIS 11 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qal n LYS 12 N 0.00 0.32 -1.64 -0.41 4.76 -1.26 -4.64 118.16 115.29 2qal n LYS 12 Ca 0.00 0.13 -0.37 0.00 -2.87 0.00 0.00 58.31 55.19 2qal n LYS 12 Cb 0.00 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 31.77 2qal n LYS 12 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qal n HIS 13 N -1.72 1.03 -0.26 2.13 8.25 -1.26 -3.76 115.22 119.62 2qal n HIS 13 Ca 0.10 0.43 0.07 0.00 -0.26 0.00 0.00 57.72 58.06 2qal n HIS 13 Cb 0.48 -2.16 0.21 0.00 1.12 0.00 0.00 29.99 29.64 2qal n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qal h ALA 14 N 0.47 1.08 0.65 -1.41 0.00 0.32 0.13 119.26 120.50 2qal h ALA 14 Ca -0.49 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qal h ALA 14 Cb 1.36 0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.36 2qal h ALA 14 CO 0.51 -0.33 -0.31 0.28 0.00 0.00 0.00 179.25 179.40 2qal h VAL 15 N 0.31 0.00 -0.01 0.00 2.07 -1.83 0.21 116.25 117.00 2qal h VAL 15 Ca 0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2qal h VAL 15 Cb 0.79 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2qal h VAL 15 CO -0.51 0.00 0.03 -0.29 0.02 0.00 0.00 177.57 176.82 2qal h ILE 16 N -0.97 0.23 0.03 4.57 2.10 -1.83 -2.55 117.51 119.09 2qal h ILE 16 Ca -0.09 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.70 2qal h ILE 16 Cb 0.67 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 2qal h ILE 16 CO 0.15 0.00 -0.79 0.00 -1.08 0.00 0.00 178.15 176.42 2qal h ALA 17 N 1.95 0.12 -0.99 0.18 0.00 -0.61 -3.35 119.26 116.57 2qal h ALA 17 Ca 0.01 -0.89 0.24 0.00 0.00 0.00 0.00 54.91 54.27 2qal h ALA 17 Cb 0.06 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2qal h ALA 17 CO -0.00 0.45 0.64 -0.07 0.00 0.00 0.00 179.25 180.27 2qal h LEU 18 N -0.81 0.44 -2.15 0.00 3.38 -0.17 0.32 115.31 116.31 2qal h LEU 18 Ca -0.20 0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2qal h LEU 18 Cb 1.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2qal h LEU 18 CO -0.05 0.13 0.27 0.71 0.09 0.00 0.00 178.44 179.59 2qal h THR 19 N 0.42 0.43 -0.10 0.22 1.35 -1.63 0.17 112.91 113.77 2qal h THR 19 Ca 0.54 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.43 2qal h THR 19 Cb 1.35 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2qal h THR 19 CO -0.24 0.00 0.14 0.28 -0.25 0.00 0.00 175.52 175.44 2qal h SER 20 N 0.00 0.00 -2.10 5.36 0.02 -0.55 -3.40 113.55 112.88 2qal h SER 20 Ca 0.11 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.53 2qal h SER 20 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2qal h SER 20 CO -0.00 0.00 1.44 -0.63 -1.14 0.00 0.00 176.83 176.49 2qal s ILE 21 N -4.52 3.22 -0.99 3.27 1.01 0.59 -4.81 121.20 118.97 2qal s ILE 21 Ca -0.05 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.60 2qal s ILE 21 Cb 0.14 -3.40 -0.28 0.00 0.01 0.00 0.00 42.46 38.94 2qal s ILE 21 CO 0.50 -0.32 2.40 -1.22 0.00 0.00 0.00 174.94 176.31 2qal n TYR 22 N 12.58 0.29 0.00 3.97 0.53 -1.26 -1.96 117.16 131.30 2qal n TYR 22 Ca 0.28 0.17 0.00 0.00 -1.02 0.00 0.00 57.90 57.33 2qal n TYR 22 Cb 0.49 -1.40 0.00 0.00 -1.03 0.00 0.00 39.34 37.41 2qal n TYR 22 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qal n GLY 23 N 5.97 -0.03 3.00 2.72 0.00 -1.26 -0.44 105.19 115.15 2qal n GLY 23 Ca 0.66 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 2qal n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qal s VAL 24 N -0.85 0.51 0.53 1.61 -7.23 -0.83 -4.95 120.40 109.18 2qal s VAL 24 Ca 0.00 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2qal s VAL 24 Cb 0.00 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.47 2qal s VAL 24 CO 0.00 -0.00 0.03 -0.83 -0.31 0.00 0.00 175.10 173.99 2qal s GLY 25 N -0.54 3.05 0.35 2.32 0.00 -1.26 -4.59 107.32 106.65 2qal s GLY 25 Ca -0.01 -0.17 0.25 0.00 0.00 0.00 0.00 44.72 44.80 2qal s GLY 25 CO 0.00 -2.20 1.29 0.28 0.00 0.00 0.00 173.10 172.47 2qal n LYS 26 N -1.35 -0.03 0.11 2.90 4.76 -1.26 -1.10 118.16 122.19 2qal n LYS 26 Ca -0.20 1.05 -0.05 0.00 -2.87 0.00 0.00 58.31 56.25 2qal n LYS 26 Cb 0.67 -2.04 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 2qal n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2qal h THR 27 N 0.00 0.00 -0.75 -0.18 2.02 -1.98 -1.34 112.91 110.67 2qal h THR 27 Ca 0.72 -0.19 0.11 0.00 0.77 0.00 0.00 66.41 67.82 2qal h THR 27 Cb 2.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 2qal h THR 27 CO -0.43 0.00 0.50 -0.09 0.37 0.00 0.00 175.52 175.87 2qal h ARG 28 N -0.49 0.60 -0.13 6.66 1.12 -1.65 -1.78 114.38 118.70 2qal h ARG 28 Ca -0.03 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.63 2qal h ARG 28 Cb 0.23 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2qal h ARG 28 CO 0.05 0.40 -0.59 1.03 -3.11 0.00 0.00 179.97 177.75 2qal h SER 29 N 0.62 0.75 0.43 -3.80 0.87 -1.21 -2.03 113.55 109.18 2qal h SER 29 Ca 0.35 -0.63 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 2qal h SER 29 Cb 0.53 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2qal h SER 29 CO -0.13 1.25 -0.43 0.50 -0.53 0.00 0.00 176.83 177.50 2qal h LYS 30 N 0.29 0.00 0.10 2.24 3.64 -0.75 -3.20 116.57 118.89 2qal h LYS 30 Ca -0.04 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 2qal h LYS 30 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2qal h LYS 30 CO 0.12 0.43 -0.71 0.00 -2.27 0.00 0.00 179.45 177.01 2qal h ALA 31 N 1.57 -0.02 -1.02 5.00 0.00 -1.38 -3.33 119.26 120.08 2qal h ALA 31 Ca -0.00 -0.72 0.27 0.00 0.00 0.00 0.00 54.91 54.46 2qal h ALA 31 Cb 0.76 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2qal h ALA 31 CO 0.06 0.36 0.70 0.97 0.00 0.00 0.00 179.25 181.33 2qal h ILE 32 N -0.54 0.52 0.00 0.00 2.10 -1.38 -0.06 117.51 118.16 2qal h ILE 32 Ca -0.14 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.73 2qal h ILE 32 Cb 1.49 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 2qal h ILE 32 CO 0.09 0.04 0.00 0.18 -1.08 0.00 0.00 178.15 177.38 2qal n LEU 33 N -4.42 0.02 -0.17 2.19 4.77 -1.21 -1.29 117.00 116.88 2qal n LEU 33 Ca 0.23 0.92 -0.01 0.00 -0.03 0.00 0.00 56.01 57.12 2qal n LEU 33 Cb 0.96 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 2qal n LEU 33 CO 0.33 -0.47 0.87 0.00 -1.33 0.00 0.00 177.39 176.78 2qal h ALA 34 N -2.00 0.55 -0.64 -1.18 0.00 -1.46 1.44 119.26 115.97 2qal h ALA 34 Ca 0.00 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2qal h ALA 34 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qal h ALA 34 CO 0.00 -0.36 0.45 0.00 0.00 0.00 0.00 179.25 179.34 2qal h ALA 35 N 1.46 2.41 0.00 0.00 0.00 -1.06 -0.42 119.26 121.64 2qal h ALA 35 Ca 0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 2qal h ALA 35 Cb 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2qal h ALA 35 CO -0.42 -0.59 -1.86 0.00 0.00 0.00 0.00 179.25 176.39 2qal n ALA 36 N -2.61 1.67 0.00 0.00 0.00 0.56 -5.00 120.51 115.13 2qal n ALA 36 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2qal n ALA 36 Cb 0.62 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2qal n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 37 N 1.56 0.88 3.13 0.00 0.00 0.46 -4.98 105.19 106.24 2qal n GLY 37 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2qal n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qal s ILE 38 N -1.55 1.14 0.00 -0.61 -1.09 0.09 -4.95 121.20 114.23 2qal s ILE 38 Ca 0.00 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 2qal s ILE 38 Cb 0.00 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 2qal s ILE 38 CO 0.00 0.22 0.00 0.00 -1.23 0.00 0.00 174.94 173.93 2qal n ALA 39 N 2.44 0.00 -0.10 9.38 0.00 -1.26 -3.26 120.51 127.71 2qal n ALA 39 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2qal n ALA 39 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 2qal n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qal n GLU 40 N -1.34 0.42 0.28 0.00 -0.58 -1.26 -4.53 120.64 113.63 2qal n GLU 40 Ca 0.00 0.19 0.15 0.00 -0.42 0.00 0.00 57.16 57.08 2qal n GLU 40 Cb 0.00 -1.21 0.83 0.00 -0.57 0.00 0.00 31.44 30.49 2qal n GLU 40 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2qal h ASP 41 N -0.72 0.00 -1.71 1.62 3.45 -1.96 -3.00 116.42 114.10 2qal h ASP 41 Ca -0.51 0.00 -0.69 0.00 0.43 0.00 0.00 57.03 56.26 2qal h ASP 41 Cb 1.44 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 40.25 2qal h ASP 41 CO -0.31 0.07 0.71 1.33 -1.57 0.00 0.00 179.24 179.47 2qal n VAL 42 N -3.49 0.17 -2.61 -1.35 0.24 -1.26 -4.52 118.33 105.50 2qal n VAL 42 Ca -0.02 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 61.82 2qal n VAL 42 Cb 0.20 -1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 31.42 2qal n VAL 42 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qal s LYS 43 N 2.00 3.87 0.41 7.34 3.01 -1.26 0.61 119.74 135.71 2qal s LYS 43 Ca 0.90 0.78 0.27 0.00 -1.01 0.00 0.00 55.97 56.91 2qal s LYS 43 Cb -0.95 -3.84 1.38 0.00 -1.01 0.00 0.00 37.83 33.41 2qal s LYS 43 CO 0.53 -1.18 1.61 -0.84 0.51 0.00 0.00 175.35 175.98 2qal h ILE 44 N 6.03 0.10 0.02 2.17 -0.00 -1.83 0.37 117.51 124.36 2qal h ILE 44 Ca -0.22 -0.03 -0.00 0.00 -0.00 0.00 0.00 64.86 64.61 2qal h ILE 44 Cb 1.06 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 2qal h ILE 44 CO 1.09 0.02 -0.01 0.77 -0.00 0.00 0.00 178.15 180.02 2qal h SER 45 N 0.08 -0.02 0.46 2.16 4.64 -1.86 -3.17 113.55 115.85 2qal h SER 45 Ca 0.83 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 2qal h SER 45 Cb 2.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.52 2qal h SER 45 CO -0.53 0.46 -0.26 1.05 -0.87 0.00 0.00 176.83 176.68 2qal h GLU 46 N -0.50 0.00 -6.17 4.77 -0.00 -0.86 -3.45 114.58 108.37 2qal h GLU 46 Ca -0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 59.36 58.77 2qal h GLU 46 Cb 0.48 0.00 0.18 0.00 -0.00 0.00 0.00 28.75 29.41 2qal h GLU 46 CO 0.00 0.26 -0.98 1.28 -0.00 0.00 0.00 179.01 179.57 2qal n LEU 47 N -3.83 -2.49 -4.91 3.06 4.77 0.94 -4.96 117.00 109.59 2qal n LEU 47 Ca -0.02 0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 56.30 2qal n LEU 47 Cb 0.35 -0.95 0.11 0.00 -2.33 0.00 0.00 43.42 40.61 2qal n LEU 47 CO 0.35 -4.37 0.81 -0.44 -1.33 0.00 0.00 177.39 172.41 2qal s SER 48 N -1.08 4.19 0.00 -1.43 0.01 -1.26 -4.92 113.70 109.21 2qal s SER 48 Ca 0.59 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2qal s SER 48 Cb -0.45 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2qal s SER 48 CO 0.64 -2.10 0.51 1.21 0.41 0.00 0.00 173.24 173.92 2qal n GLU 49 N -3.42 0.00 -0.55 12.44 4.07 -1.26 -1.61 120.64 130.30 2qal n GLU 49 Ca 0.10 0.37 0.44 0.00 -0.06 0.00 0.00 57.16 58.01 2qal n GLU 49 Cb 0.61 -1.01 0.74 0.00 -0.06 0.00 0.00 31.44 31.71 2qal n GLU 49 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2qal h GLY 50 N 0.00 0.64 1.27 8.31 0.00 -1.98 0.80 103.07 112.11 2qal h GLY 50 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qal h GLY 50 CO 0.00 -0.21 0.00 -1.06 0.00 0.00 0.00 176.54 175.27 2qal n GLN 51 N -4.33 0.22 0.00 4.80 6.02 -0.64 -1.73 117.38 121.72 2qal n GLN 51 Ca 0.40 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2qal n GLN 51 Cb 1.69 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 31.45 2qal n GLN 51 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2qal n ILE 52 N -1.14 0.00 0.47 5.09 0.13 0.27 -4.71 119.36 119.48 2qal n ILE 52 Ca 0.06 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.52 2qal n ILE 52 Cb 0.05 -0.24 -0.09 0.00 -0.84 0.00 0.00 39.64 38.52 2qal n ILE 52 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 2qal h ASP 53 N 0.00 -1.02 -0.87 9.51 3.45 -0.73 -3.05 116.42 123.71 2qal h ASP 53 Ca 0.00 0.03 0.19 0.00 0.43 0.00 0.00 57.03 57.69 2qal h ASP 53 Cb 0.43 0.26 -0.11 0.00 -0.56 0.00 0.00 39.33 39.35 2qal h ASP 53 CO 0.00 -0.68 0.40 0.71 -1.57 0.00 0.00 179.24 178.10 2qal h THR 54 N -1.29 0.56 0.00 0.35 1.35 -1.79 -2.62 112.91 109.47 2qal h THR 54 Ca -0.12 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2qal h THR 54 Cb 0.92 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 2qal h THR 54 CO 0.20 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.74 2qal n LEU 55 N -4.99 0.00 -0.27 3.87 4.77 -1.16 -0.04 117.00 119.18 2qal n LEU 55 Ca 0.20 0.90 -0.05 0.00 -0.03 0.00 0.00 56.01 57.02 2qal n LEU 55 Cb 0.57 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2qal n LEU 55 CO 0.16 -0.40 0.59 0.03 -1.33 0.00 0.00 177.39 176.44 2qal h ARG 56 N 0.00 -0.12 -0.84 3.23 3.08 -1.47 0.25 114.38 118.51 2qal h ARG 56 Ca 0.00 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2qal h ARG 56 Cb 0.00 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 2qal h ARG 56 CO 0.00 -0.08 0.40 0.22 -1.07 0.00 0.00 179.97 179.44 2qal h ASP 57 N -0.12 0.43 0.48 7.04 3.58 -1.02 -1.76 116.42 125.05 2qal h ASP 57 Ca 0.25 0.11 -0.30 0.00 0.42 0.00 0.00 57.03 57.51 2qal h ASP 57 Cb 0.56 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2qal h ASP 57 CO -0.79 0.14 -1.39 -0.08 -2.88 0.00 0.00 179.24 174.23 2qal h GLU 58 N 0.53 0.33 0.00 0.28 4.81 0.13 -3.23 114.58 117.44 2qal h GLU 58 Ca 0.48 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2qal h GLU 58 Cb 0.76 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2qal h GLU 58 CO -0.42 1.25 0.00 1.55 -0.73 0.00 0.00 179.01 180.67 2qal n VAL 59 N -3.56 0.95 0.31 0.32 3.14 0.71 -2.09 118.33 118.12 2qal n VAL 59 Ca -0.13 0.36 0.20 0.00 -2.96 0.00 0.00 64.34 61.81 2qal n VAL 59 Cb 1.05 -1.29 1.03 0.00 -1.06 0.00 0.00 33.84 33.57 2qal n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qal h ALA 60 N 2.22 1.07 -1.88 1.55 0.00 -1.35 -3.25 119.26 117.62 2qal h ALA 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qal h ALA 60 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qal h ALA 60 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 2qal n LYS 61 N -3.20 0.00 -1.85 0.00 4.76 -0.89 -4.76 118.16 112.22 2qal n LYS 61 Ca -0.02 0.19 -0.37 0.00 -2.87 0.00 0.00 58.31 55.24 2qal n LYS 61 Cb 0.14 -1.12 0.05 0.00 -1.84 0.00 0.00 35.03 32.27 2qal n LYS 61 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2qal s PHE 62 N -1.56 2.21 0.39 2.13 5.36 -1.23 -4.97 117.98 120.31 2qal s PHE 62 Ca 0.00 1.49 -0.25 0.00 -0.96 0.00 0.00 56.93 57.21 2qal s PHE 62 Cb 0.00 -3.62 -0.09 0.00 -0.34 0.00 0.00 43.02 38.97 2qal s PHE 62 CO 0.00 -2.66 1.07 0.08 -1.46 0.00 0.00 175.22 172.26 2qal s VAL 63 N -1.46 3.59 0.27 3.12 1.01 -1.26 -4.98 120.40 120.69 2qal s VAL 63 Ca 0.80 1.28 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2qal s VAL 63 Cb -0.35 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2qal s VAL 63 CO 0.38 0.06 0.33 1.33 0.00 0.00 0.00 175.10 177.20 2qal n VAL 64 N 0.08 0.00 0.00 2.92 0.24 -1.26 -4.84 118.33 115.47 2qal n VAL 64 Ca 0.04 -1.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 2qal n VAL 64 Cb 0.49 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2qal n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qal n GLU 65 N -0.46 0.00 0.00 7.34 -0.58 0.42 -2.60 120.64 124.77 2qal n GLU 65 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2qal n GLU 65 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2qal n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qal n GLY 66 N 0.00 -3.02 0.25 0.62 0.00 -1.26 -1.87 105.19 99.91 2qal n GLY 66 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.43 2qal n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qal n ASP 67 N -1.85 -0.23 0.00 1.61 8.00 -1.11 0.88 116.55 123.85 2qal n ASP 67 Ca 0.00 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2qal n ASP 67 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2qal n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qal n LEU 68 N -5.12 0.00 0.20 0.64 4.77 -1.07 0.53 117.00 116.94 2qal n LEU 68 Ca 0.12 0.99 0.17 0.00 -0.03 0.00 0.00 56.01 57.26 2qal n LEU 68 Cb 0.39 -0.49 0.69 0.00 -2.33 0.00 0.00 43.42 41.68 2qal n LEU 68 CO -0.08 -0.49 1.15 0.03 -1.33 0.00 0.00 177.39 176.67 2qal h ARG 69 N 0.00 0.00 0.00 3.23 2.47 -0.47 0.50 114.38 120.11 2qal h ARG 69 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qal h ARG 69 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2qal h ARG 69 CO 0.00 0.00 0.00 -2.13 0.56 0.00 0.00 179.97 178.40 2qal n ARG 70 N -3.21 0.00 0.18 0.04 3.00 0.25 -3.71 116.66 113.22 2qal n ARG 70 Ca 0.04 0.30 0.12 0.00 -0.00 0.00 0.00 57.85 58.31 2qal n ARG 70 Cb 0.62 -0.87 0.66 0.00 0.00 0.00 0.00 32.46 32.86 2qal n ARG 70 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2qal h GLU 71 N 0.00 0.00 -0.58 -0.14 4.81 0.44 -1.39 114.58 117.72 2qal h GLU 71 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2qal h GLU 71 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2qal h GLU 71 CO 0.00 0.00 0.39 0.97 -0.73 0.00 0.00 179.01 179.64 2qal h ILE 72 N 0.00 0.94 0.00 2.32 2.10 -0.16 0.18 117.51 122.88 2qal h ILE 72 Ca 0.08 -0.16 -0.12 0.00 1.08 0.00 0.00 64.86 65.74 2qal h ILE 72 Cb 0.32 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.47 2qal h ILE 72 CO -0.00 0.08 -0.55 0.28 -1.08 0.00 0.00 178.15 176.88 2qal h SER 73 N 0.46 0.00 -0.44 2.19 0.02 -1.33 -3.16 113.55 111.29 2qal h SER 73 Ca 0.26 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2qal h SER 73 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2qal h SER 73 CO -0.07 0.55 -0.15 0.24 -1.14 0.00 0.00 176.83 176.26 2qal h MET 74 N 0.00 0.88 -0.48 3.45 2.86 -0.59 -1.65 114.93 119.40 2qal h MET 74 Ca -0.01 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.22 2qal h MET 74 Cb 1.41 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 2qal h MET 74 CO 0.07 1.00 0.05 0.66 1.06 0.00 0.00 176.91 179.76 2qal h SER 75 N 0.70 0.71 -0.37 1.22 4.64 -1.33 0.38 113.55 119.50 2qal h SER 75 Ca 0.10 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2qal h SER 75 Cb 0.71 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2qal h SER 75 CO 0.05 0.74 0.01 0.40 -0.87 0.00 0.00 176.83 177.17 2qal h ILE 76 N 0.72 1.23 -0.01 0.95 2.04 -1.46 -3.10 117.51 117.88 2qal h ILE 76 Ca 0.15 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2qal h ILE 76 Cb 0.36 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2qal h ILE 76 CO 0.01 0.33 -0.13 0.50 0.00 0.00 0.00 178.15 178.86 2qal h LYS 77 N 0.69 0.11 -0.86 2.37 3.64 -0.41 -2.82 116.57 119.29 2qal h LYS 77 Ca 0.14 -0.10 0.35 0.00 -1.27 0.00 0.00 60.65 59.77 2qal h LYS 77 Cb 0.41 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.10 2qal h LYS 77 CO 0.02 0.82 0.42 -2.13 -2.27 0.00 0.00 179.45 176.31 2qal n ARG 78 N -4.61 -0.05 -0.01 1.90 0.63 0.12 0.11 116.66 114.75 2qal n ARG 78 Ca -0.09 1.19 -0.10 0.00 -0.92 0.00 0.00 57.85 57.92 2qal n ARG 78 Cb 0.43 -2.11 -0.14 0.00 0.45 0.00 0.00 32.46 31.09 2qal n ARG 78 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 2qal h LEU 79 N 0.00 0.06 0.76 6.15 8.10 -1.63 -3.15 115.31 125.60 2qal h LEU 79 Ca 0.71 -0.13 -0.04 0.00 0.11 0.00 0.00 57.88 58.53 2qal h LEU 79 Cb 1.85 -0.02 0.01 0.00 -0.44 0.00 0.00 40.66 42.06 2qal h LEU 79 CO -0.67 1.12 -0.36 0.24 -4.11 0.00 0.00 178.44 174.65 2qal h MET 80 N 0.01 -0.98 0.00 0.17 2.86 0.11 -1.28 114.93 115.82 2qal h MET 80 Ca -0.28 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2qal h MET 80 Cb 2.00 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.89 2qal h MET 80 CO 0.09 -0.64 0.00 -0.40 1.06 0.00 0.00 176.91 177.02 2qal n ASP 81 N -5.47 0.27 -0.06 1.22 3.85 0.12 -1.66 116.55 114.82 2qal n ASP 81 Ca -0.13 0.62 -0.14 0.00 -0.71 0.00 0.00 54.79 54.42 2qal n ASP 81 Cb 0.41 -0.65 -0.13 0.00 -1.35 0.00 0.00 41.12 39.40 2qal n ASP 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qal h LEU 82 N 0.00 0.03 0.00 -2.12 6.46 -1.33 -3.49 115.31 114.86 2qal h LEU 82 Ca 0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 2qal h LEU 82 Cb 0.04 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2qal h LEU 82 CO 0.00 0.96 0.00 0.61 -0.62 0.00 0.00 178.44 179.39 2qal n GLY 83 N 1.43 1.36 3.90 3.75 0.00 -0.55 -5.08 105.19 110.00 2qal n GLY 83 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2qal n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal h TYR 85 N 0.07 0.49 0.01 0.00 3.20 -1.98 0.68 116.97 119.44 2qal h TYR 85 Ca -0.46 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 2qal h TYR 85 Cb 1.20 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2qal h TYR 85 CO 0.60 -0.15 -0.01 0.00 -1.64 0.00 0.00 178.16 176.95 2qal h ARG 86 N 0.28 -0.02 -0.48 1.82 3.08 -1.93 -1.06 114.38 116.07 2qal h ARG 86 Ca 0.57 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.71 2qal h ARG 86 Cb 1.14 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.10 2qal h ARG 86 CO -0.61 -0.01 -0.08 0.78 -1.07 0.00 0.00 179.97 178.98 2qal h GLY 87 N -0.02 0.40 -0.46 0.04 0.00 -1.57 0.11 103.07 101.57 2qal h GLY 87 Ca -0.00 0.12 0.31 0.00 0.00 0.00 0.00 47.33 47.76 2qal h GLY 87 CO -0.00 -0.17 0.60 1.41 0.00 0.00 0.00 176.54 178.38 2qal h LEU 88 N 0.04 0.53 0.03 3.11 3.38 -0.72 0.62 115.31 122.30 2qal h LEU 88 Ca 0.24 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 2qal h LEU 88 Cb 0.36 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qal h LEU 88 CO -0.46 -0.08 -0.01 0.03 0.09 0.00 0.00 178.44 178.01 2qal h ARG 89 N 0.37 -0.04 -0.17 1.13 2.47 0.39 -3.05 114.38 115.48 2qal h ARG 89 Ca 0.71 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.46 2qal h ARG 89 Cb 1.63 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.94 2qal h ARG 89 CO -0.55 -0.01 0.02 0.45 0.56 0.00 0.00 179.97 180.44 2qal h HIS 90 N -0.05 0.03 0.00 3.04 3.86 -0.79 -0.31 115.15 120.93 2qal h HIS 90 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qal h HIS 90 Cb 0.04 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2qal h HIS 90 CO -0.07 0.00 0.00 2.89 0.86 0.00 0.00 177.93 181.61 2qal n ARG 91 N -5.10 0.35 0.00 2.45 1.85 -0.94 -0.87 116.66 114.40 2qal n ARG 91 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2qal n ARG 91 Cb 0.09 -1.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 2qal n ARG 91 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2qal n ARG 92 N -0.77 0.50 -2.83 2.89 5.12 -0.25 -5.01 116.66 116.31 2qal n ARG 92 Ca 0.04 -0.67 -0.21 0.00 -1.93 0.00 0.00 57.85 55.08 2qal n ARG 92 Cb 0.02 -0.81 0.02 0.00 -1.16 0.00 0.00 32.46 30.53 2qal n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qal n GLY 93 N -0.14 -0.51 3.46 -0.13 0.00 -0.05 -4.99 105.19 102.83 2qal n GLY 93 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2qal n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qal s LEU 94 N -6.40 2.60 0.36 0.99 1.43 -0.49 -3.39 118.68 113.78 2qal s LEU 94 Ca 0.20 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2qal s LEU 94 Cb -0.09 -1.49 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 2qal s LEU 94 CO 0.25 0.21 1.41 -0.81 0.23 0.00 0.00 176.35 177.64 2qal n PRO 95 N 1.17 2.45 -0.06 1.29 -0.04 -1.26 -4.20 135.00 134.35 2qal n PRO 95 Ca -0.16 0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 2qal n PRO 95 Cb 0.52 -2.53 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 2qal n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qal n VAL 96 N 0.46 0.84 0.51 0.52 0.31 -1.26 -4.25 118.33 115.46 2qal n VAL 96 Ca 0.03 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2qal n VAL 96 Cb 0.38 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2qal n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qal n ARG 97 N -2.57 0.30 -2.99 5.55 3.00 -1.26 -4.79 116.66 113.90 2qal n ARG 97 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.51 2qal n ARG 97 Cb 0.91 -1.05 0.06 0.00 0.00 0.00 0.00 32.46 32.38 2qal n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qal n GLY 98 N -0.03 -0.88 2.91 -0.13 0.00 -1.26 -5.05 105.19 100.75 2qal n GLY 98 Ca 0.00 0.46 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 2qal n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qal n GLN 99 N -2.92 0.78 -3.29 1.61 3.00 -1.26 -5.10 117.38 110.20 2qal n GLN 99 Ca -0.06 -2.45 -0.38 0.00 -0.01 0.00 0.00 57.00 54.10 2qal n GLN 99 Cb 0.60 0.02 -0.06 0.00 0.00 0.00 0.00 30.24 30.80 2qal n GLN 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2qal s ARG 100 N -3.86 4.33 -0.17 -1.09 1.70 -1.26 -4.97 118.95 113.64 2qal s ARG 100 Ca 0.36 0.50 0.05 0.00 -0.47 0.00 0.00 55.73 56.17 2qal s ARG 100 Cb -0.03 -3.43 -0.22 0.00 -0.57 0.00 0.00 34.95 30.70 2qal s ARG 100 CO 0.23 0.18 0.17 0.25 -1.08 0.00 0.00 175.30 175.05 2qal n THR 101 N 3.58 1.58 0.28 4.99 -2.24 -1.26 -4.14 114.28 117.07 2qal n THR 101 Ca -0.07 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.14 2qal n THR 101 Cb 0.52 -1.23 0.67 0.00 -2.10 0.00 0.00 70.33 68.18 2qal n THR 101 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2qal h LYS 102 N 0.02 0.00 -2.22 -0.78 2.10 -2.05 -3.41 116.57 110.23 2qal h LYS 102 Ca -0.47 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 2qal h LYS 102 Cb 2.03 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 33.19 2qal h LYS 102 CO 0.02 0.00 0.18 0.99 -2.00 0.00 0.00 179.45 178.64 2qal s THR 103 N -3.86 0.00 -0.05 0.07 2.01 -1.26 -5.09 115.64 107.46 2qal s THR 103 Ca -0.03 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 2qal s THR 103 Cb 0.07 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.60 2qal s THR 103 CO 0.22 -0.01 0.08 0.59 -0.69 0.00 0.00 174.62 174.81 2qal n ASN 104 N 0.69 -4.82 0.00 3.53 4.13 -1.26 -4.61 115.26 112.92 2qal n ASN 104 Ca -0.19 1.44 0.00 0.00 1.68 0.00 0.00 54.58 57.51 2qal n ASN 104 Cb 0.58 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.78 2qal n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qal n ALA 105 N 1.95 0.04 -0.28 5.41 0.00 -1.26 -4.61 120.51 121.76 2qal n ALA 105 Ca -0.13 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.65 2qal n ALA 105 Cb 0.20 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.37 2qal n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qal h ARG 106 N 0.00 0.00 0.00 0.00 2.47 -1.95 0.72 114.38 115.62 2qal h ARG 106 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2qal h ARG 106 Cb 0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2qal h ARG 106 CO 0.00 0.00 -0.56 1.15 0.56 0.00 0.00 179.97 181.12 2qal h THR 107 N 0.00 1.20 0.00 2.04 2.02 -1.95 0.24 112.91 116.46 2qal h THR 107 Ca 0.53 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2qal h THR 107 Cb 2.32 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 2qal h THR 107 CO -0.01 0.54 -0.20 -0.09 0.37 0.00 0.00 175.52 176.14 2qal h ARG 108 N 0.00 0.00 0.09 6.66 9.65 0.08 -3.42 114.38 127.44 2qal h ARG 108 Ca -0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2qal h ARG 108 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2qal h ARG 108 CO 0.07 0.00 -0.04 1.57 2.80 0.00 0.00 179.97 184.37 2qal h LYS 109 N -0.56 -0.11 0.00 0.20 2.10 -1.31 -3.46 116.57 113.42 2qal h LYS 109 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2qal h LYS 109 Cb 0.20 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2qal h LYS 109 CO 0.00 0.42 0.00 0.41 -2.00 0.00 0.00 179.45 178.28 2qal n GLY 110 N 0.82 0.75 3.62 0.07 0.00 0.07 -5.04 105.19 105.49 2qal n GLY 110 Ca -0.08 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2qal n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qal s PRO 111 N -1.21 0.22 0.35 1.61 0.04 -1.26 -4.27 135.00 130.47 2qal s PRO 111 Ca 0.00 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 2qal s PRO 111 Cb 0.00 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 32.71 2qal s PRO 111 CO 0.00 -2.95 0.51 0.54 0.04 0.00 0.00 177.00 175.14 2qal n ARG 112 N -4.37 0.42 -2.66 4.56 5.12 -1.26 -4.93 116.66 113.54 2qal n ARG 112 Ca 0.06 0.15 -0.22 0.00 -1.93 0.00 0.00 57.85 55.91 2qal n ARG 112 Cb 0.55 -1.33 -0.00 0.00 -1.16 0.00 0.00 32.46 30.52 2qal n ARG 112 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2qal n LYS 113 N 0.86 2.63 0.00 5.56 4.81 -1.26 -5.26 118.16 125.50 2qal n LYS 113 Ca 0.13 -4.17 0.02 0.00 -0.87 0.00 0.00 58.31 53.42 2qal n LYS 113 Cb 0.35 -1.96 0.15 0.00 0.02 0.00 0.00 35.03 33.59 2qal n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22