#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i97 n MET 4 N 2.62 1.26 -2.89 0.00 0.00 -0.81 -4.27 117.12 113.03 3i97 n MET 4 Ca 0.21 -2.44 -0.31 0.00 0.00 0.00 0.00 57.70 55.17 3i97 n MET 4 Cb 0.54 -0.58 -0.04 0.00 0.00 0.00 0.00 33.22 33.14 3i97 n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3i97 s GLU 5 N -1.43 3.83 0.01 2.12 2.02 0.12 -4.48 118.70 120.90 3i97 s GLU 5 Ca 0.23 0.54 -0.30 0.00 0.02 0.00 0.00 54.97 55.45 3i97 s GLU 5 Cb 0.42 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 3i97 s GLU 5 CO -0.04 -0.01 1.32 0.00 0.02 0.00 0.00 175.26 176.55 3i97 s ALA 6 N -2.30 3.53 -1.24 5.21 0.00 -1.26 -1.27 121.76 124.43 3i97 s ALA 6 Ca 0.52 0.84 0.28 0.00 0.00 0.00 0.00 51.96 53.60 3i97 s ALA 6 Cb -0.10 -3.55 1.00 0.00 0.00 0.00 0.00 23.12 20.46 3i97 s ALA 6 CO 0.28 -0.78 1.74 1.28 0.00 0.00 0.00 175.76 178.28 3i97 n LEU 7 N 4.98 0.34 0.00 0.00 4.77 -0.62 -4.91 117.00 121.56 3i97 n LEU 7 Ca 0.12 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3i97 n LEU 7 Cb 0.44 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3i97 n LEU 7 CO 0.57 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3i97 n GLY 8 N 1.42 -0.62 0.47 -0.72 0.00 -1.26 -4.38 105.19 100.10 3i97 n GLY 8 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3i97 n GLY 8 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3i97 h MET 9 N 0.00 -1.06 0.00 1.61 2.86 -1.88 -1.03 114.93 115.43 3i97 h MET 9 Ca 0.00 0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.56 3i97 h MET 9 Cb 0.00 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3i97 h MET 9 CO 0.00 -0.71 -0.72 1.49 1.06 0.00 0.00 176.91 178.04 3i97 h GLU 10 N -1.10 0.00 0.00 1.72 4.81 -1.84 -3.33 114.58 114.84 3i97 h GLU 10 Ca -0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3i97 h GLU 10 Cb 0.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3i97 h GLU 10 CO 0.11 0.72 -0.89 0.66 -0.73 0.00 0.00 179.01 178.89 3i97 h SER 11 N 0.00 0.00 0.00 1.04 4.64 -1.95 -3.48 113.55 113.80 3i97 h SER 11 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i97 h SER 11 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3i97 h SER 11 CO 0.09 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3i97 n GLY 12 N 1.19 3.21 0.50 -0.77 0.00 -0.59 -4.92 105.19 103.80 3i97 n GLY 12 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.33 3i97 n GLY 12 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i97 h GLU 13 N 2.40 0.00 -4.86 1.61 4.81 -1.80 -3.27 114.58 113.48 3i97 h GLU 13 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 3i97 h GLU 13 Cb 0.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.19 3i97 h GLU 13 CO 0.00 0.00 -0.24 0.42 -0.73 0.00 0.00 179.01 178.46 3i97 s ILE 14 N -4.87 5.12 0.81 2.32 1.01 -0.49 -4.92 121.20 120.18 3i97 s ILE 14 Ca -0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 3i97 s ILE 14 Cb 0.21 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.79 3i97 s ILE 14 CO 0.74 -0.34 1.15 -1.00 0.00 0.00 0.00 174.94 175.49 3i97 s HIS 15 N 2.07 2.04 0.36 3.97 3.76 -1.24 -4.77 115.29 121.49 3i97 s HIS 15 Ca 0.11 1.67 0.03 0.00 -0.15 0.00 0.00 55.06 56.73 3i97 s HIS 15 Cb -0.17 -3.29 0.68 0.00 1.11 0.00 0.00 32.58 30.91 3i97 s HIS 15 CO 0.13 -2.43 2.01 0.77 -0.85 0.00 0.00 174.74 174.37 3i97 h SER 16 N -1.16 0.67 0.00 1.40 0.02 -1.95 -1.74 113.55 110.79 3i97 h SER 16 Ca -0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3i97 h SER 16 Cb 1.26 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3i97 h SER 16 CO 0.47 0.50 0.00 -0.90 -1.14 0.00 0.00 176.83 175.75 3i97 n ASP 17 N -4.44 0.00 -0.06 3.07 5.68 -1.26 -1.85 116.55 117.69 3i97 n ASP 17 Ca 0.05 -1.08 0.11 0.00 -0.50 0.00 0.00 54.79 53.38 3i97 n ASP 17 Cb 0.05 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.04 3i97 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i97 n GLN 18 N -0.83 0.14 -4.05 0.11 6.02 -0.65 -4.83 117.38 113.29 3i97 n GLN 18 Ca 0.13 -0.11 -0.35 0.00 -0.01 0.00 0.00 57.00 56.66 3i97 n GLN 18 Cb 0.06 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.70 3i97 n GLN 18 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i97 s ILE 19 N -2.93 4.02 0.04 5.09 1.01 -0.77 0.08 121.20 127.74 3i97 s ILE 19 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 3i97 s ILE 19 Cb 0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3i97 s ILE 19 CO 0.79 0.42 -0.03 0.42 0.00 0.00 0.00 174.94 176.54 3i97 s THR 20 N 1.00 0.21 0.26 2.92 -4.23 -0.48 -4.81 115.64 110.50 3i97 s THR 20 Ca 0.02 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3i97 s THR 20 Cb -0.14 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3i97 s THR 20 CO 0.02 -0.80 0.13 0.00 -0.54 0.00 0.00 174.62 173.43 3i97 s ALA 21 N -2.95 1.67 0.27 3.99 0.00 -1.26 -0.35 121.76 123.14 3i97 s ALA 21 Ca -0.02 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.12 3i97 s ALA 21 Cb 0.01 1.17 0.36 0.00 0.00 0.00 0.00 23.12 24.66 3i97 s ALA 21 CO -0.06 -0.51 1.83 0.66 0.00 0.00 0.00 175.76 177.67 3i97 h SER 22 N 2.38 0.85 -1.86 0.00 4.64 -1.52 -3.47 113.55 114.56 3i97 h SER 22 Ca -0.36 -0.14 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 3i97 h SER 22 Cb 1.25 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3i97 h SER 22 CO 0.56 0.80 0.45 -1.54 -0.87 0.00 0.00 176.83 176.22 3i97 n SER 23 N -4.28 -1.13 -3.75 4.97 3.41 -1.26 -4.99 113.62 106.58 3i97 n SER 23 Ca 0.05 -1.54 -0.13 0.00 -0.26 0.00 0.00 58.87 56.99 3i97 n SER 23 Cb 0.21 1.83 -0.11 0.00 -0.26 0.00 0.00 64.21 65.87 3i97 n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i97 s GLN 24 N -2.03 0.35 0.22 4.33 -2.07 -1.26 -4.35 119.66 114.86 3i97 s GLN 24 Ca 0.17 0.48 -0.08 0.00 -1.82 0.00 0.00 55.36 54.11 3i97 s GLN 24 Cb -0.02 0.13 0.28 0.00 -1.09 0.00 0.00 33.01 32.32 3i97 s GLN 24 CO 0.03 -0.07 1.82 -0.92 -1.32 0.00 0.00 175.29 174.83 3i97 h TYR 25 N 5.94 0.79 0.00 9.60 3.20 -0.22 -3.37 116.97 132.91 3i97 h TYR 25 Ca -0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3i97 h TYR 25 Cb 1.18 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3i97 h TYR 25 CO 0.38 0.38 0.00 -1.13 -1.64 0.00 0.00 178.16 176.15 3i97 n SER 26 N -4.73 0.00 0.31 -2.11 3.41 -1.26 -4.92 113.62 104.32 3i97 n SER 26 Ca 0.10 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.87 3i97 n SER 26 Cb 0.18 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 64.95 3i97 n SER 26 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3i97 h THR 27 N 0.00 0.04 0.00 6.66 1.35 -1.99 0.78 112.91 119.74 3i97 h THR 27 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3i97 h THR 27 Cb 0.00 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 3i97 h THR 27 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 3i97 n ASN 28 N -2.96 0.00 -2.79 5.36 4.13 -1.26 -3.34 115.26 114.39 3i97 n ASN 28 Ca -0.01 0.19 -0.02 0.00 1.68 0.00 0.00 54.58 56.42 3i97 n ASN 28 Cb 0.40 -0.36 0.05 0.00 -1.54 0.00 0.00 39.78 38.33 3i97 n ASN 28 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3i97 n TRP 29 N -1.36 0.97 -1.92 3.10 7.02 0.27 -4.57 117.44 120.94 3i97 n TRP 29 Ca 0.07 -2.25 -0.30 0.00 -1.02 0.00 0.00 57.50 54.01 3i97 n TRP 29 Cb 0.17 -0.12 0.05 0.00 -2.42 0.00 0.00 31.31 28.99 3i97 n TRP 29 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3i97 s SER 30 N -3.46 5.29 0.36 -0.99 1.04 -1.16 -2.22 113.70 112.56 3i97 s SER 30 Ca 0.26 1.03 0.08 0.00 0.48 0.00 0.00 55.95 57.80 3i97 s SER 30 Cb 0.36 -1.79 0.79 0.00 0.10 0.00 0.00 66.02 65.48 3i97 s SER 30 CO -0.03 -1.42 1.92 0.00 0.98 0.00 0.00 173.24 174.69 3i97 h ALA 31 N -0.69 1.78 0.00 5.32 0.00 -1.91 -1.68 119.26 122.07 3i97 h ALA 31 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i97 h ALA 31 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i97 h ALA 31 CO 0.64 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 179.10 3i97 n GLU 32 N -4.51 0.41 -0.43 0.00 0.28 -1.26 -1.64 120.64 113.49 3i97 n GLU 32 Ca 0.13 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.26 3i97 n GLU 32 Cb 0.34 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.04 3i97 n GLU 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i97 n ARG 33 N -1.02 2.95 -0.04 3.44 1.74 -0.63 -4.35 116.66 118.74 3i97 n ARG 33 Ca 0.10 -2.72 0.13 0.00 -0.77 0.00 0.00 57.85 54.58 3i97 n ARG 33 Cb 0.05 -1.64 0.40 0.00 -1.02 0.00 0.00 32.46 30.25 3i97 n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i97 n SER 34 N 1.56 1.91 -4.72 0.55 3.41 -0.65 -3.94 113.62 111.73 3i97 n SER 34 Ca 0.25 -1.67 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 3i97 n SER 34 Cb 0.68 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 3i97 n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i97 s ARG 35 N -1.90 4.18 -0.04 4.33 0.52 -1.26 0.94 118.95 125.71 3i97 s ARG 35 Ca 0.35 2.45 -0.40 0.00 -0.52 0.00 0.00 55.73 57.60 3i97 s ARG 35 Cb 0.20 -3.13 -0.20 0.00 0.52 0.00 0.00 34.95 32.34 3i97 s ARG 35 CO 0.31 -0.66 1.15 -0.11 0.02 0.00 0.00 175.30 176.01 3i97 n LEU 36 N 4.00 0.29 -0.21 2.53 7.94 -0.18 -1.10 117.00 130.28 3i97 n LEU 36 Ca 0.15 1.16 -0.03 0.00 -1.11 0.00 0.00 56.01 56.18 3i97 n LEU 36 Cb 0.37 -0.94 -0.01 0.00 0.53 0.00 0.00 43.42 43.37 3i97 n LEU 36 CO 0.62 -1.71 -0.03 0.59 -1.11 0.00 0.00 177.39 175.76 3i97 n ASN 37 N 1.88 -3.89 -4.71 1.96 3.02 -1.26 -4.71 115.26 107.55 3i97 n ASN 37 Ca 0.21 0.07 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 3i97 n ASN 37 Cb 0.08 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 3i97 n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i97 n TYR 38 N -2.73 2.55 1.17 3.10 9.36 -0.26 -4.86 117.16 125.50 3i97 n TYR 38 Ca -0.03 0.26 0.14 0.00 3.32 0.00 0.00 57.90 61.59 3i97 n TYR 38 Cb 0.18 -2.57 0.68 0.00 -0.63 0.00 0.00 39.34 37.00 3i97 n TYR 38 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i97 n PRO 39 N 2.71 0.18 -3.77 2.98 -0.04 -1.26 -4.64 135.00 131.16 3i97 n PRO 39 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 3i97 n PRO 39 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 3i97 n PRO 39 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3i97 s GLU 40 N -2.82 0.84 3.94 0.54 2.02 -1.26 -5.04 118.70 116.91 3i97 s GLU 40 Ca 0.20 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3i97 s GLU 40 Cb 0.19 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3i97 s GLU 40 CO 0.50 -0.84 0.00 0.09 0.02 0.00 0.00 175.26 175.02 3i97 n ASN 41 N 4.86 0.00 0.00 -0.19 3.02 -1.26 -4.98 115.26 116.72 3i97 n ASN 41 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3i97 n ASN 41 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3i97 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i97 n GLY 42 N 0.00 2.91 3.70 7.41 0.00 -1.26 -4.80 105.19 113.15 3i97 n GLY 42 Ca 0.00 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3i97 n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i97 s TRP 43 N -2.76 3.45 -0.07 1.61 -0.00 -0.64 -4.19 118.94 116.34 3i97 s TRP 43 Ca 0.00 0.78 0.01 0.00 -0.00 0.00 0.00 56.10 56.89 3i97 s TRP 43 Cb 0.00 -2.56 0.02 0.00 -0.00 0.00 0.00 33.47 30.94 3i97 s TRP 43 CO 0.00 0.08 -0.07 0.99 -0.00 0.00 0.00 176.95 177.95 3i97 s THR 44 N 0.97 0.83 1.24 5.86 2.01 -0.94 -1.14 115.64 124.47 3i97 s THR 44 Ca 0.23 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 3i97 s THR 44 Cb -0.15 -0.83 0.30 0.00 0.01 0.00 0.00 72.50 71.83 3i97 s THR 44 CO 0.09 0.30 1.02 -2.16 -0.69 0.00 0.00 174.62 173.18 3i97 s PRO 45 N 1.13 -1.48 0.50 4.92 0.04 -1.26 0.19 135.00 139.03 3i97 s PRO 45 Ca -0.07 0.37 0.32 0.00 0.04 0.00 0.00 61.00 61.67 3i97 s PRO 45 Cb -0.14 -1.53 1.35 0.00 0.04 0.00 0.00 34.50 34.22 3i97 s PRO 45 CO -0.01 -3.98 1.95 0.78 0.04 0.00 0.00 177.00 175.78 3i97 h GLY 46 N -2.79 0.00 -2.03 0.56 0.00 -1.76 -3.16 103.07 93.90 3i97 h GLY 46 Ca -0.52 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3i97 h GLY 46 CO 0.42 0.00 -0.15 -1.83 0.00 0.00 0.00 176.54 174.98 3i97 s GLU 47 N -3.63 1.68 -0.87 4.80 -1.05 -1.26 -4.86 118.70 113.51 3i97 s GLU 47 Ca 0.01 -1.44 -0.07 0.00 -0.15 0.00 0.00 54.97 53.32 3i97 s GLU 47 Cb 0.09 0.46 0.22 0.00 -0.44 0.00 0.00 34.13 34.46 3i97 s GLU 47 CO 0.51 -0.70 0.78 -0.51 0.95 0.00 0.00 175.26 176.29 3i97 s ASP 48 N -3.10 6.37 0.22 0.83 1.01 -1.26 -4.90 116.67 115.84 3i97 s ASP 48 Ca 0.26 -3.22 0.03 0.00 0.71 0.00 0.00 52.55 50.33 3i97 s ASP 48 Cb -0.00 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 3i97 s ASP 48 CO 0.13 -0.36 0.23 -1.54 0.21 0.00 0.00 175.17 173.84 3i97 n SER 49 N 3.13 -0.59 0.03 0.27 3.41 -1.26 -5.04 113.62 113.56 3i97 n SER 49 Ca 0.17 -2.38 0.11 0.00 -0.26 0.00 0.00 58.87 56.52 3i97 n SER 49 Cb 0.41 1.27 0.05 0.00 -0.26 0.00 0.00 64.21 65.67 3i97 n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i97 n TYR 50 N -0.40 0.25 0.70 7.33 -0.00 -1.26 -3.81 117.16 119.96 3i97 n TYR 50 Ca 0.04 0.07 0.01 0.00 -0.00 0.00 0.00 57.90 58.02 3i97 n TYR 50 Cb 0.39 -0.42 0.05 0.00 -0.00 0.00 0.00 39.34 39.37 3i97 n TYR 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3i97 n ARG 51 N -1.91 0.35 -4.57 -3.48 1.74 -1.26 -4.67 116.66 102.85 3i97 n ARG 51 Ca 0.02 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 3i97 n ARG 51 Cb 0.42 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 3i97 n ARG 51 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i97 s GLU 52 N -2.00 2.53 0.10 5.56 0.41 -1.25 -4.97 118.70 119.07 3i97 s GLU 52 Ca 0.03 -0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 53.75 3i97 s GLU 52 Cb 0.01 -2.47 0.01 0.00 -1.78 0.00 0.00 34.13 29.91 3i97 s GLU 52 CO 0.02 0.61 0.28 1.67 -0.49 0.00 0.00 175.26 177.35 3i97 s TRP 53 N -0.92 -0.00 0.00 1.61 1.48 -1.26 -4.01 118.94 115.84 3i97 s TRP 53 Ca 0.15 -0.35 0.02 0.00 -1.06 0.00 0.00 56.10 54.86 3i97 s TRP 53 Cb -0.11 0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.26 3i97 s TRP 53 CO 0.05 -0.59 -0.08 -1.50 -4.06 0.00 0.00 176.95 170.77 3i97 s ILE 54 N -3.68 0.62 0.06 0.66 2.07 -0.82 -1.17 121.20 118.93 3i97 s ILE 54 Ca 0.03 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 3i97 s ILE 54 Cb 0.03 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3i97 s ILE 54 CO -0.10 0.09 -0.04 0.00 -1.91 0.00 0.00 174.94 172.98 3i97 s GLN 55 N -0.40 0.60 0.13 3.50 -2.07 0.53 -0.29 119.66 121.67 3i97 s GLN 55 Ca 0.01 -1.09 0.09 0.00 -1.82 0.00 0.00 55.36 52.55 3i97 s GLN 55 Cb -0.04 0.04 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 3i97 s GLN 55 CO -0.00 -0.06 -0.14 0.54 -1.32 0.00 0.00 175.29 174.31 3i97 s VAL 56 N -3.13 3.03 -0.32 3.63 0.11 -0.41 -1.38 120.40 121.93 3i97 s VAL 56 Ca 0.02 -1.51 -0.00 0.00 -2.93 0.00 0.00 61.98 57.56 3i97 s VAL 56 Cb 0.02 -2.43 0.07 0.00 -1.53 0.00 0.00 36.38 32.51 3i97 s VAL 56 CO -0.06 0.04 0.02 -0.62 -3.33 0.00 0.00 175.10 171.15 3i97 s ASP 57 N -2.36 4.85 0.37 3.54 2.15 0.11 -1.82 116.67 123.52 3i97 s ASP 57 Ca 0.21 -1.58 0.26 0.00 0.43 0.00 0.00 52.55 51.87 3i97 s ASP 57 Cb -0.10 -1.69 1.29 0.00 -0.30 0.00 0.00 42.92 42.12 3i97 s ASP 57 CO 0.12 -0.32 1.80 -0.07 -0.17 0.00 0.00 175.17 176.53 3i97 h LEU 58 N 7.90 0.00 0.00 -1.34 3.38 -0.72 -3.46 115.31 121.07 3i97 h LEU 58 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3i97 h LEU 58 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i97 h LEU 58 CO 0.55 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.69 3i97 n GLY 59 N -0.72 1.70 0.00 0.83 0.00 -1.26 -4.96 105.19 100.78 3i97 n GLY 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i97 n GLY 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i97 n LEU 60 N 0.00 0.00 -4.74 0.99 -0.00 -1.26 -5.14 117.00 106.85 3i97 n LEU 60 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 3i97 n LEU 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i97 n LEU 60 CO 0.00 0.00 1.02 0.18 -0.00 0.00 0.00 177.39 178.59 3i97 n LEU 61 N 0.00 4.42 -3.94 1.47 4.77 -1.26 -4.49 117.00 117.97 3i97 n LEU 61 Ca 0.00 1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 57.07 3i97 n LEU 61 Cb 0.00 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 39.46 3i97 n LEU 61 CO 0.00 -0.20 0.03 -0.13 -1.33 0.00 0.00 177.39 175.76 3i97 s ARG 62 N -2.14 1.22 -0.11 3.23 1.81 0.14 -4.69 118.95 118.41 3i97 s ARG 62 Ca 0.57 -1.16 -0.23 0.00 -1.72 0.00 0.00 55.73 53.19 3i97 s ARG 62 Cb -0.50 0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 34.37 3i97 s ARG 62 CO 0.61 -0.46 0.71 -0.06 -0.68 0.00 0.00 175.30 175.42 3i97 s PHE 63 N -3.97 3.50 -0.13 -0.53 0.08 0.15 -2.39 117.98 114.69 3i97 s PHE 63 Ca 0.17 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.43 3i97 s PHE 63 Cb 0.03 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3i97 s PHE 63 CO 0.01 -0.03 -0.21 0.08 -0.10 0.00 0.00 175.22 174.97 3i97 s VAL 64 N 1.29 1.97 -0.01 -0.44 1.01 0.85 -1.19 120.40 123.88 3i97 s VAL 64 Ca 0.36 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i97 s VAL 64 Cb -0.17 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3i97 s VAL 64 CO 0.15 0.53 0.07 0.35 0.00 0.00 0.00 175.10 176.21 3i97 n THR 65 N 3.98 0.01 -3.64 3.92 -2.24 -0.08 -0.77 114.28 115.46 3i97 n THR 65 Ca -0.20 -0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 3i97 n THR 65 Cb 0.52 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 3i97 n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i97 s ALA 66 N -2.23 -1.90 0.09 6.98 0.00 -1.14 -1.19 121.76 122.38 3i97 s ALA 66 Ca -0.01 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.67 3i97 s ALA 66 Cb 0.02 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3i97 s ALA 66 CO 0.14 -0.90 -0.11 0.14 0.00 0.00 0.00 175.76 175.04 3i97 s VAL 67 N -2.91 0.97 -0.02 0.00 -7.23 -0.90 0.39 120.40 110.70 3i97 s VAL 67 Ca 0.11 -1.59 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 3i97 s VAL 67 Cb 0.00 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 3i97 s VAL 67 CO -0.03 -0.51 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.17 3i97 s GLY 68 N -2.35 1.24 0.33 2.32 0.00 -0.23 -0.20 107.32 108.42 3i97 s GLY 68 Ca 0.04 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.71 3i97 s GLY 68 CO 0.00 -0.91 0.08 -0.51 0.00 0.00 0.00 173.10 171.76 3i97 s THR 69 N -0.60 0.97 0.22 0.90 -4.23 -0.83 -1.64 115.64 110.43 3i97 s THR 69 Ca 0.10 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 3i97 s THR 69 Cb -0.10 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.05 3i97 s THR 69 CO -0.01 0.00 0.41 -1.10 -0.54 0.00 0.00 174.62 173.39 3i97 s GLN 70 N -3.89 1.40 0.00 3.99 -0.21 0.65 -2.35 119.66 119.25 3i97 s GLN 70 Ca 0.35 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3i97 s GLN 70 Cb 0.08 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.53 3i97 s GLN 70 CO 0.15 -0.56 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 3i97 n GLY 71 N -0.33 1.80 3.55 3.09 0.00 -0.95 -2.70 105.19 109.66 3i97 n GLY 71 Ca -0.04 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 3i97 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i97 s ALA 72 N -3.11 -1.89 -0.08 4.61 0.00 0.69 -4.36 121.76 117.63 3i97 s ALA 72 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3i97 s ALA 72 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i97 s ALA 72 CO 0.00 -0.45 -0.07 0.42 0.00 0.00 0.00 175.76 175.65 3i97 s ILE 73 N -1.86 3.66 -0.06 0.00 1.01 -1.26 -0.73 121.20 121.96 3i97 s ILE 73 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3i97 s ILE 73 Cb -0.01 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3i97 s ILE 73 CO -0.02 0.58 1.11 -0.94 0.00 0.00 0.00 174.94 175.67 3i97 s SER 74 N -0.58 7.15 0.58 3.58 1.04 -0.82 -4.17 113.70 120.48 3i97 s SER 74 Ca 0.09 1.71 0.29 0.00 0.48 0.00 0.00 55.95 58.52 3i97 s SER 74 Cb -0.12 -2.56 1.44 0.00 0.10 0.00 0.00 66.02 64.89 3i97 s SER 74 CO 0.02 -0.50 1.85 0.11 0.98 0.00 0.00 173.24 175.70 3i97 h LYS 75 N 7.23 0.00 0.00 4.02 1.79 -1.96 -1.06 116.57 126.59 3i97 h LYS 75 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3i97 h LYS 75 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3i97 h LYS 75 CO 0.86 0.00 -0.38 0.93 -1.08 0.00 0.00 179.45 179.78 3i97 h GLU 76 N 0.00 0.00 0.00 3.15 4.39 -1.98 -3.42 114.58 116.72 3i97 h GLU 76 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3i97 h GLU 76 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3i97 h GLU 76 CO -0.00 0.00 -1.23 0.25 -1.16 0.00 0.00 179.01 176.86 3i97 n THR 77 N -4.29 0.10 -0.89 1.13 -2.24 -1.17 -4.95 114.28 101.98 3i97 n THR 77 Ca -0.05 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3i97 n THR 77 Cb 0.20 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3i97 n THR 77 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i97 n LYS 78 N -1.93 -0.15 -2.09 -0.78 4.76 -0.41 -4.97 118.16 112.59 3i97 n LYS 78 Ca 0.01 0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 3i97 n LYS 78 Cb 0.44 -3.22 -0.01 0.00 -1.84 0.00 0.00 35.03 30.41 3i97 n LYS 78 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3i97 s LYS 79 N -0.37 4.00 -0.23 1.97 1.02 -1.26 -4.67 119.74 120.21 3i97 s LYS 79 Ca 0.00 2.12 -0.09 0.00 0.02 0.00 0.00 55.97 58.02 3i97 s LYS 79 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 3i97 s LYS 79 CO 0.00 -0.45 0.13 0.15 -0.92 0.00 0.00 175.35 174.26 3i97 s LYS 80 N -2.21 4.01 0.01 1.68 1.02 -1.26 -1.95 119.74 121.04 3i97 s LYS 80 Ca 0.56 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.32 3i97 s LYS 80 Cb -0.37 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 3i97 s LYS 80 CO 0.48 0.09 -0.22 0.71 -0.92 0.00 0.00 175.35 175.49 3i97 s TYR 81 N 0.92 1.98 -0.22 3.18 2.02 0.09 -4.56 117.35 120.76 3i97 s TYR 81 Ca 0.06 -0.38 -0.27 0.00 -0.37 0.00 0.00 57.07 56.11 3i97 s TYR 81 Cb -0.13 -1.24 0.12 0.00 -0.40 0.00 0.00 41.96 40.30 3i97 s TYR 81 CO 0.03 0.02 0.97 1.52 -1.57 0.00 0.00 175.55 176.52 3i97 s TYR 82 N -0.63 -0.48 -0.01 2.71 1.13 -1.22 -0.22 117.35 118.63 3i97 s TYR 82 Ca 0.09 1.05 -0.24 0.00 -1.41 0.00 0.00 57.07 56.56 3i97 s TYR 82 Cb -0.09 0.39 -0.05 0.00 -1.10 0.00 0.00 41.96 41.11 3i97 s TYR 82 CO 0.00 -0.31 0.72 0.08 -2.51 0.00 0.00 175.55 173.53 3i97 s VAL 83 N -0.30 4.89 -0.18 -3.49 1.01 -1.25 -1.03 120.40 120.06 3i97 s VAL 83 Ca 0.00 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.31 3i97 s VAL 83 Cb -0.03 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.07 3i97 s VAL 83 CO -0.02 0.33 0.30 0.11 0.00 0.00 0.00 175.10 175.82 3i97 h LYS 84 N 6.11 0.09 -4.87 2.72 1.57 -1.02 -1.86 116.57 119.30 3i97 h LYS 84 Ca -0.43 -0.15 -0.29 0.00 -1.87 0.00 0.00 60.65 57.91 3i97 h LYS 84 Cb 1.20 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 33.40 3i97 h LYS 84 CO 0.72 1.07 -0.72 0.95 -0.57 0.00 0.00 179.45 180.90 3i97 s THR 85 N -2.42 0.88 0.01 -0.16 -4.23 -1.16 0.04 115.64 108.61 3i97 s THR 85 Ca -0.26 -1.71 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 3i97 s THR 85 Cb 0.06 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.55 3i97 s THR 85 CO 0.65 -0.64 0.73 -0.72 -0.54 0.00 0.00 174.62 174.11 3i97 s TYR 86 N -2.72 -0.52 0.33 3.99 -0.85 -1.06 -0.89 117.35 115.63 3i97 s TYR 86 Ca 0.07 0.62 0.07 0.00 -0.52 0.00 0.00 57.07 57.31 3i97 s TYR 86 Cb -0.01 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 3i97 s TYR 86 CO -0.01 -0.64 0.29 0.15 -1.52 0.00 0.00 175.55 173.81 3i97 s LYS 87 N -2.41 2.76 -0.03 -3.49 1.02 -0.51 -1.04 119.74 116.04 3i97 s LYS 87 Ca -0.03 -1.26 0.03 0.00 0.02 0.00 0.00 55.97 54.74 3i97 s LYS 87 Cb -0.01 -2.50 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3i97 s LYS 87 CO -0.03 0.13 -0.12 0.42 -0.92 0.00 0.00 175.35 174.83 3i97 s ILE 88 N -2.28 1.03 -0.00 2.17 1.01 -1.26 -0.15 121.20 121.72 3i97 s ILE 88 Ca 0.40 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.60 3i97 s ILE 88 Cb -0.06 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3i97 s ILE 88 CO 0.26 0.31 -0.15 -1.81 0.00 0.00 0.00 174.94 173.56 3i97 s ASP 89 N 0.09 4.03 0.13 3.58 1.01 0.20 -1.63 116.67 124.09 3i97 s ASP 89 Ca -0.02 -0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.02 3i97 s ASP 89 Cb -0.09 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 3i97 s ASP 89 CO 0.01 0.30 -0.15 0.68 0.21 0.00 0.00 175.17 176.21 3i97 s VAL 90 N -0.86 1.49 -0.07 -1.27 -7.23 -1.05 -0.37 120.40 111.03 3i97 s VAL 90 Ca 0.14 -1.78 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 3i97 s VAL 90 Cb -0.11 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.23 3i97 s VAL 90 CO 0.04 -0.38 0.34 -0.55 -0.31 0.00 0.00 175.10 174.24 3i97 s SER 91 N -2.51 -0.28 0.23 4.85 0.15 -1.04 -0.80 113.70 114.30 3i97 s SER 91 Ca 0.11 0.39 0.20 0.00 0.70 0.00 0.00 55.95 57.35 3i97 s SER 91 Cb -0.05 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 3i97 s SER 91 CO 0.04 -0.30 1.17 0.77 1.20 0.00 0.00 173.24 176.13 3i97 h SER 92 N 4.65 0.00 0.00 5.45 4.64 -1.89 -1.31 113.55 125.09 3i97 h SER 92 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3i97 h SER 92 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3i97 h SER 92 CO 0.34 0.23 -0.35 -0.46 -0.87 0.00 0.00 176.83 175.72 3i97 n ASN 93 N -2.91 1.28 0.00 4.97 0.23 -1.26 -4.70 115.26 112.87 3i97 n ASN 93 Ca -0.01 -2.68 0.00 0.00 -0.53 0.00 0.00 54.58 51.36 3i97 n ASN 93 Cb 0.65 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3i97 n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i97 n GLY 94 N -0.67 0.00 1.03 4.83 0.00 -1.26 -4.66 105.19 104.45 3i97 n GLY 94 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i97 n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i97 n GLU 95 N 0.58 0.00 -3.01 1.61 2.13 -1.26 -4.99 120.64 115.70 3i97 n GLU 95 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3i97 n GLU 95 Cb 0.41 -0.49 -0.06 0.00 0.27 0.00 0.00 31.44 31.57 3i97 n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3i97 s ASP 96 N -5.34 6.38 -0.10 4.31 -0.00 -1.26 -5.05 116.67 115.61 3i97 s ASP 96 Ca 0.00 -0.18 -0.05 0.00 -0.00 0.00 0.00 52.55 52.32 3i97 s ASP 96 Cb 0.00 -2.37 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 3i97 s ASP 96 CO 0.00 -0.88 0.10 0.26 -0.00 0.00 0.00 175.17 174.66 3i97 s TRP 97 N 3.15 3.46 -0.22 4.23 0.52 -1.26 -4.32 118.94 124.50 3i97 s TRP 97 Ca 0.28 0.41 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 3i97 s TRP 97 Cb -0.13 -1.88 0.07 0.00 -1.15 0.00 0.00 33.47 30.38 3i97 s TRP 97 CO 0.22 0.65 0.04 0.42 0.02 0.00 0.00 176.95 178.30 3i97 s ILE 98 N -1.02 0.60 0.35 2.03 -1.09 0.02 -4.93 121.20 117.16 3i97 s ILE 98 Ca 0.16 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 57.56 3i97 s ILE 98 Cb -0.12 -1.17 -0.11 0.00 -1.58 0.00 0.00 42.46 39.48 3i97 s ILE 98 CO 0.05 -0.30 1.50 -0.89 -1.23 0.00 0.00 174.94 174.07 3i97 s THR 99 N 1.81 2.12 -0.28 2.92 2.01 -1.26 -2.54 115.64 120.42 3i97 s THR 99 Ca 0.01 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 3i97 s THR 99 Cb -0.17 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3i97 s THR 99 CO -0.12 0.03 1.62 -0.63 -0.69 0.00 0.00 174.62 174.82 3i97 s ILE 100 N -0.79 3.69 0.32 1.82 1.01 -0.64 -4.96 121.20 121.65 3i97 s ILE 100 Ca 0.55 0.75 0.08 0.00 0.00 0.00 0.00 60.65 62.04 3i97 s ILE 100 Cb -0.46 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3i97 s ILE 100 CO 0.58 -0.39 0.18 -0.54 0.00 0.00 0.00 174.94 174.76 3i97 s LYS 101 N 4.93 2.54 -0.51 2.79 1.02 -1.26 -1.25 119.74 127.99 3i97 s LYS 101 Ca 0.71 -1.40 0.03 0.00 0.02 0.00 0.00 55.97 55.34 3i97 s LYS 101 Cb -0.22 -2.31 0.14 0.00 -0.52 0.00 0.00 37.83 34.92 3i97 s LYS 101 CO 0.30 0.17 0.31 -2.00 -0.92 0.00 0.00 175.35 173.21 3i97 s GLU 102 N -3.87 1.68 -0.39 1.68 2.12 -1.06 -4.83 118.70 114.02 3i97 s GLU 102 Ca 0.37 -2.46 -0.12 0.00 0.36 0.00 0.00 54.97 53.13 3i97 s GLU 102 Cb -0.05 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.63 3i97 s GLU 102 CO 0.24 -1.19 0.51 0.41 -0.54 0.00 0.00 175.26 174.68 3i97 n GLY 103 N 3.04 -1.19 3.18 -1.50 0.00 -1.26 -3.99 105.19 103.46 3i97 n GLY 103 Ca 0.12 0.95 -0.21 0.00 0.00 0.00 0.00 46.02 46.87 3i97 n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i97 n ASN 104 N -0.50 -3.88 -3.15 1.61 3.02 -1.26 -4.95 115.26 106.15 3i97 n ASN 104 Ca 0.09 -0.28 0.04 0.00 -0.03 0.00 0.00 54.58 54.40 3i97 n ASN 104 Cb 0.40 -3.22 -0.01 0.00 -0.61 0.00 0.00 39.78 36.34 3i97 n ASN 104 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3i97 s LYS 105 N -5.82 0.56 -0.26 3.52 -2.85 -1.26 -5.14 119.74 108.50 3i97 s LYS 105 Ca 0.32 0.93 -0.24 0.00 -1.00 0.00 0.00 55.97 55.98 3i97 s LYS 105 Cb -0.17 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 35.99 3i97 s LYS 105 CO 0.40 -0.69 0.88 -2.30 0.10 0.00 0.00 175.35 173.74 3i97 n PRO 106 N 5.43 0.00 -2.37 1.78 -0.02 -1.26 -2.57 135.00 135.98 3i97 n PRO 106 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3i97 n PRO 106 Cb 0.51 -0.78 -0.02 0.00 -0.02 0.00 0.00 33.50 33.19 3i97 n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i97 s VAL 107 N 1.82 4.17 -1.07 -1.45 1.01 -0.38 -4.89 120.40 119.60 3i97 s VAL 107 Ca 0.56 1.40 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 3i97 s VAL 107 Cb -0.78 -3.97 0.19 0.00 0.00 0.00 0.00 36.38 31.81 3i97 s VAL 107 CO 0.41 -0.20 1.21 -0.22 0.00 0.00 0.00 175.10 176.31 3i97 s LEU 108 N 3.79 5.51 0.21 3.92 0.20 -1.26 -4.53 118.68 126.51 3i97 s LEU 108 Ca 0.57 -2.84 -0.32 0.00 0.69 0.00 0.00 54.13 52.23 3i97 s LEU 108 Cb -0.22 -2.34 -0.14 0.00 -0.43 0.00 0.00 46.19 43.06 3i97 s LEU 108 CO 0.18 -0.72 1.37 0.49 -0.29 0.00 0.00 176.35 177.39 3i97 n PHE 109 N 5.10 1.97 -2.63 5.38 3.72 -0.21 -4.75 117.46 126.04 3i97 n PHE 109 Ca 0.28 0.47 -0.43 0.00 -0.05 0.00 0.00 57.45 57.73 3i97 n PHE 109 Cb 0.44 -2.43 -0.02 0.00 -0.94 0.00 0.00 39.48 36.53 3i97 n PHE 109 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3i97 s GLN 110 N -0.19 4.35 0.00 -1.08 -1.52 -1.26 -2.56 119.66 117.39 3i97 s GLN 110 Ca 0.71 1.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.56 3i97 s GLN 110 Cb -0.71 -3.59 0.00 0.00 -0.22 0.00 0.00 33.01 28.49 3i97 s GLN 110 CO 0.49 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3i97 n GLY 111 N 3.23 1.11 3.88 3.09 0.00 0.11 -4.82 105.19 111.78 3i97 n GLY 111 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3i97 n GLY 111 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i97 s ASN 112 N -0.21 6.55 0.00 1.61 0.02 -0.70 -4.91 114.94 117.31 3i97 s ASN 112 Ca 0.00 0.89 0.00 0.00 -1.02 0.00 0.00 52.86 52.73 3i97 s ASN 112 Cb 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 39.05 3i97 s ASN 112 CO 0.00 -0.17 0.55 0.35 0.02 0.00 0.00 177.10 177.85 3i97 n THR 113 N -0.60 0.21 -3.85 1.60 -2.24 -1.26 -4.26 114.28 103.88 3i97 n THR 113 Ca 0.00 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 3i97 n THR 113 Cb 0.53 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 3i97 n THR 113 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i97 n ASN 114 N -0.11 -1.31 -0.00 3.42 0.23 -1.26 -5.08 115.26 111.14 3i97 n ASN 114 Ca 0.00 -2.42 0.10 0.00 -0.53 0.00 0.00 54.58 51.72 3i97 n ASN 114 Cb 0.10 2.34 -0.12 0.00 -2.08 0.00 0.00 39.78 40.01 3i97 n ASN 114 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 3i97 n PRO 115 N -0.45 0.34 -0.01 -0.53 -0.04 -1.26 -4.25 135.00 128.79 3i97 n PRO 115 Ca -0.02 -0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 3i97 n PRO 115 Cb 0.47 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 3i97 n PRO 115 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i97 n THR 116 N -1.61 0.07 -2.88 0.52 -2.24 -1.26 -2.24 114.28 104.65 3i97 n THR 116 Ca 0.03 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 3i97 n THR 116 Cb 0.36 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 3i97 n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i97 s ASP 117 N -3.89 6.67 -0.16 3.42 1.01 -1.26 -4.92 116.67 117.53 3i97 s ASP 117 Ca -0.06 1.31 -0.20 0.00 0.71 0.00 0.00 52.55 54.32 3i97 s ASP 117 Cb 0.10 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 3i97 s ASP 117 CO 0.65 -0.36 0.55 -0.69 0.21 0.00 0.00 175.17 175.54 3i97 s VAL 118 N -2.26 5.10 -0.17 -1.27 1.01 -1.26 -4.39 120.40 117.16 3i97 s VAL 118 Ca 0.55 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3i97 s VAL 118 Cb -0.10 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3i97 s VAL 118 CO 0.25 0.21 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 3i97 s VAL 119 N 1.31 1.42 -0.08 2.92 1.01 -0.99 -4.97 120.40 121.02 3i97 s VAL 119 Ca 0.27 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3i97 s VAL 119 Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3i97 s VAL 119 CO 0.11 0.22 0.54 -0.69 0.00 0.00 0.00 175.10 175.28 3i97 s VAL 120 N 1.51 5.10 -0.24 2.92 1.01 -1.26 -1.97 120.40 127.47 3i97 s VAL 120 Ca 0.01 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.11 3i97 s VAL 120 Cb -0.15 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.40 3i97 s VAL 120 CO -0.08 0.35 -0.13 0.00 0.00 0.00 0.00 175.10 175.23 3i97 s ALA 121 N 0.39 2.51 -0.19 5.51 0.00 0.72 -5.00 121.76 125.70 3i97 s ALA 121 Ca 0.29 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 3i97 s ALA 121 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 3i97 s ALA 121 CO 0.13 -0.92 0.57 0.08 0.00 0.00 0.00 175.76 175.63 3i97 s VAL 122 N 1.17 5.07 0.63 0.00 1.01 -1.26 -2.12 120.40 124.90 3i97 s VAL 122 Ca -0.04 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 3i97 s VAL 122 Cb -0.18 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3i97 s VAL 122 CO -0.07 0.15 1.24 -0.36 0.00 0.00 0.00 175.10 176.06 3i97 s PHE 123 N 1.73 2.23 0.30 5.22 0.08 -0.33 -4.90 117.98 122.30 3i97 s PHE 123 Ca 0.27 1.51 0.05 0.00 0.12 0.00 0.00 56.93 58.87 3i97 s PHE 123 Cb -0.16 -3.56 0.69 0.00 -0.57 0.00 0.00 43.02 39.42 3i97 s PHE 123 CO 0.10 -2.54 1.79 -1.35 -0.10 0.00 0.00 175.22 173.12 3i97 h PRO 124 N 0.61 0.79 -5.23 0.24 0.11 -1.89 -3.43 132.00 123.20 3i97 h PRO 124 Ca -0.50 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.19 3i97 h PRO 124 Cb 1.31 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 3i97 h PRO 124 CO 0.54 0.52 -0.73 0.15 -0.21 0.00 0.00 178.00 178.27 3i97 s LYS 125 N -5.88 1.09 0.22 1.05 1.02 -1.26 -5.13 119.74 110.84 3i97 s LYS 125 Ca -0.11 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.17 3i97 s LYS 125 Cb 0.24 -0.77 -0.09 0.00 -0.52 0.00 0.00 37.83 36.70 3i97 s LYS 125 CO 0.80 0.12 1.20 -2.14 -0.92 0.00 0.00 175.35 174.41 3i97 s PRO 126 N -3.41 4.50 0.09 -1.68 0.02 -1.26 -4.84 135.00 128.41 3i97 s PRO 126 Ca 0.15 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.15 3i97 s PRO 126 Cb -0.00 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3i97 s PRO 126 CO 0.02 -0.05 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.01 3i97 s LEU 127 N -0.63 2.93 -0.41 -5.54 1.43 0.05 -4.94 118.68 111.56 3i97 s LEU 127 Ca 0.51 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 3i97 s LEU 127 Cb -0.34 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.23 3i97 s LEU 127 CO 0.39 0.20 0.25 -0.63 0.23 0.00 0.00 176.35 176.79 3i97 s ILE 128 N -1.15 4.14 0.00 -0.59 1.01 -1.26 -0.11 121.20 123.25 3i97 s ILE 128 Ca 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3i97 s ILE 128 Cb -0.11 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3i97 s ILE 128 CO 0.11 -0.50 0.00 1.07 0.00 0.00 0.00 174.94 175.62 3i97 n THR 129 N 4.89 0.00 0.00 2.92 5.66 -1.01 -4.89 114.28 121.85 3i97 n THR 129 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 3i97 n THR 129 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 3i97 n THR 129 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3i97 n ARG 130 N 0.00 0.00 -4.30 1.09 0.63 -1.04 -0.69 116.66 112.36 3i97 n ARG 130 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 3i97 n ARG 130 Cb 0.00 -0.41 -0.11 0.00 0.45 0.00 0.00 32.46 32.38 3i97 n ARG 130 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3i97 s PHE 131 N -1.00 3.09 -0.16 -0.14 0.40 -0.52 0.02 117.98 119.68 3i97 s PHE 131 Ca 0.00 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 3i97 s PHE 131 Cb 0.00 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.57 3i97 s PHE 131 CO 0.00 0.05 -0.20 0.08 0.70 0.00 0.00 175.22 175.85 3i97 s VAL 132 N 0.27 1.98 -0.16 -0.44 1.01 -0.75 -2.49 120.40 119.82 3i97 s VAL 132 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3i97 s VAL 132 Cb -0.13 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3i97 s VAL 132 CO 0.02 0.53 -0.20 -0.60 0.00 0.00 0.00 175.10 174.85 3i97 s ARG 133 N 1.13 3.03 -0.09 2.72 3.52 0.50 -1.28 118.95 128.48 3i97 s ARG 133 Ca 0.00 -0.83 -0.15 0.00 -0.13 0.00 0.00 55.73 54.62 3i97 s ARG 133 Cb -0.14 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.68 3i97 s ARG 133 CO -0.08 -0.10 0.38 0.42 -0.81 0.00 0.00 175.30 175.10 3i97 s ILE 134 N 1.04 5.18 -0.39 4.11 1.01 0.61 -0.63 121.20 132.13 3i97 s ILE 134 Ca -0.01 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.40 3i97 s ILE 134 Cb -0.14 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.75 3i97 s ILE 134 CO -0.07 0.45 0.17 -0.54 0.00 0.00 0.00 174.94 174.96 3i97 s LYS 135 N -0.12 1.11 0.11 2.79 1.02 0.78 -1.95 119.74 123.48 3i97 s LYS 135 Ca 0.22 -1.68 -0.35 0.00 0.02 0.00 0.00 55.97 54.18 3i97 s LYS 135 Cb -0.15 -2.29 -0.17 0.00 -0.52 0.00 0.00 37.83 34.70 3i97 s LYS 135 CO 0.09 -1.08 1.14 -2.30 -0.92 0.00 0.00 175.35 172.27 3i97 n PRO 136 N 4.05 0.77 -0.04 -1.68 -0.02 -1.26 -1.42 135.00 135.40 3i97 n PRO 136 Ca 0.05 0.28 -0.05 0.00 -2.02 0.00 0.00 63.50 61.75 3i97 n PRO 136 Cb 0.38 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 3i97 n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i97 n ALA 137 N 1.66 1.82 -2.70 3.55 0.00 -0.06 -4.37 120.51 120.41 3i97 n ALA 137 Ca 0.17 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3i97 n ALA 137 Cb 0.19 0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3i97 n ALA 137 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i97 s THR 138 N -2.17 0.12 0.17 0.00 -4.23 -1.03 -4.92 115.64 103.59 3i97 s THR 138 Ca -0.10 -0.99 -0.24 0.00 -1.18 0.00 0.00 61.69 59.18 3i97 s THR 138 Cb 0.03 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 72.67 3i97 s THR 138 CO 0.21 -0.55 0.92 -1.66 -0.54 0.00 0.00 174.62 173.01 3i97 s TRP 139 N -3.71 -0.14 -0.14 3.99 -2.14 -1.26 -0.58 118.94 114.97 3i97 s TRP 139 Ca 0.03 -0.19 0.01 0.00 2.66 0.00 0.00 56.10 58.61 3i97 s TRP 139 Cb 0.04 0.65 -0.01 0.00 -3.10 0.00 0.00 33.47 31.05 3i97 s TRP 139 CO -0.10 -0.89 -0.16 -2.00 -2.66 0.00 0.00 176.95 171.14 3i97 s GLU 140 N -3.38 3.25 0.00 3.25 2.56 -0.19 -4.75 118.70 119.44 3i97 s GLU 140 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 54.97 54.34 3i97 s GLU 140 Cb -0.02 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.54 3i97 s GLU 140 CO 0.03 0.12 0.00 2.41 -0.56 0.00 0.00 175.26 177.26 3i97 n THR 141 N 3.77 0.00 -3.92 -1.70 -1.04 -1.26 -3.43 114.28 106.70 3i97 n THR 141 Ca -0.19 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.81 3i97 n THR 141 Cb 0.52 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.05 3i97 n THR 141 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3i97 s GLY 142 N 0.00 0.09 -0.35 3.41 0.00 -1.26 -5.10 107.32 104.11 3i97 s GLY 142 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 44.72 44.26 3i97 s GLY 142 CO 0.00 3.46 0.46 -0.42 0.00 0.00 0.00 173.10 176.60 3i97 s ILE 143 N -2.06 5.07 -0.02 0.90 1.01 -1.26 -3.79 121.20 121.04 3i97 s ILE 143 Ca 0.25 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 3i97 s ILE 143 Cb -0.02 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3i97 s ILE 143 CO 0.04 -0.18 0.09 -0.55 0.00 0.00 0.00 174.94 174.34 3i97 s SER 144 N 1.75 -0.04 -0.02 3.58 0.15 -1.26 -4.10 113.70 113.77 3i97 s SER 144 Ca 0.16 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.73 3i97 s SER 144 Cb -0.16 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 3i97 s SER 144 CO 0.13 -0.11 0.29 -0.04 1.20 0.00 0.00 173.24 174.70 3i97 s MET 145 N -0.33 0.63 0.00 5.44 -1.94 -0.29 -3.90 119.30 118.92 3i97 s MET 145 Ca -0.04 -0.19 -0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3i97 s MET 145 Cb -0.03 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 37.09 3i97 s MET 145 CO 0.00 -0.17 0.01 1.03 -0.01 0.00 0.00 175.02 175.88 3i97 s ARG 146 N -1.27 0.15 0.39 2.03 0.52 -1.10 -1.63 118.95 118.04 3i97 s ARG 146 Ca -0.13 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.75 3i97 s ARG 146 Cb -0.05 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.51 3i97 s ARG 146 CO 0.04 -0.03 0.69 -0.59 0.02 0.00 0.00 175.30 175.43 3i97 s PHE 147 N -0.60 0.52 -0.08 -0.53 -0.71 0.27 -0.25 117.98 116.59 3i97 s PHE 147 Ca -0.07 -1.05 -0.21 0.00 -1.04 0.00 0.00 56.93 54.57 3i97 s PHE 147 Cb -0.04 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.32 3i97 s PHE 147 CO -0.00 -1.46 0.48 -2.00 -1.34 0.00 0.00 175.22 170.90 3i97 s GLU 148 N -2.39 0.76 -0.06 1.99 2.56 -0.65 -1.01 118.70 119.90 3i97 s GLU 148 Ca 0.21 0.23 0.01 0.00 0.00 0.00 0.00 54.97 55.42 3i97 s GLU 148 Cb -0.03 0.35 -0.03 0.00 2.00 0.00 0.00 34.13 36.42 3i97 s GLU 148 CO 0.16 -0.19 -0.07 0.08 -0.56 0.00 0.00 175.26 174.68 3i97 s VAL 149 N -0.78 3.70 0.10 3.70 1.01 -1.26 -1.06 120.40 125.81 3i97 s VAL 149 Ca -0.08 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3i97 s VAL 149 Cb -0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3i97 s VAL 149 CO 0.05 0.58 -0.21 -0.31 0.00 0.00 0.00 175.10 175.21 3i97 s TYR 150 N -0.83 2.46 0.00 5.22 2.02 0.16 -1.59 117.35 124.80 3i97 s TYR 150 Ca 0.13 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3i97 s TYR 150 Cb -0.11 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 3i97 s TYR 150 CO 0.02 0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 3i97 n GLY 151 N 1.08 -0.60 3.59 0.71 0.00 -0.40 -0.91 105.19 108.66 3i97 n GLY 151 Ca -0.16 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3i97 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i97 s LYS 153 N -2.20 3.79 0.35 0.00 3.01 -1.26 -0.68 119.74 122.74 3i97 s LYS 153 Ca 0.14 2.21 -0.28 0.00 -1.01 0.00 0.00 55.97 57.03 3i97 s LYS 153 Cb 0.05 -2.65 -0.10 0.00 -1.01 0.00 0.00 37.83 34.13 3i97 s LYS 153 CO -0.05 -0.66 1.23 0.42 0.51 0.00 0.00 175.35 176.80 3i97 s ILE 154 N -1.27 2.95 -0.59 2.17 1.01 -1.26 -4.69 121.20 119.52 3i97 s ILE 154 Ca 0.60 0.91 0.05 0.00 0.00 0.00 0.00 60.65 62.20 3i97 s ILE 154 Cb -0.39 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.56 3i97 s ILE 154 CO 0.50 0.18 0.65 1.07 0.00 0.00 0.00 174.94 177.33