#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 1.68 0.53 -2.71 0.00 2.81 -1.21 -4.18 117.12 114.04 3i97 n MET 4 Ca 0.20 -2.25 -0.34 0.00 -1.81 0.00 0.00 57.70 53.50 3i97 n MET 4 Cb 0.54 -0.63 -0.06 0.00 -0.71 0.00 0.00 33.22 32.36 3i97 n MET 4 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3i97 s GLU 5 N -1.10 4.10 -0.03 0.03 2.02 0.19 -4.50 118.70 119.40 3i97 s GLU 5 Ca 0.30 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 3i97 s GLU 5 Cb 0.32 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 3i97 s GLU 5 CO -0.10 -0.15 1.37 0.00 0.02 0.00 0.00 175.26 176.40 3i97 s ALA 6 N -2.04 3.58 -1.13 5.21 0.00 -1.26 -0.95 121.76 125.17 3i97 s ALA 6 Ca 0.63 0.79 0.29 0.00 0.00 0.00 0.00 51.96 53.66 3i97 s ALA 6 Cb -0.13 -3.60 1.17 0.00 0.00 0.00 0.00 23.12 20.56 3i97 s ALA 6 CO 0.17 -0.96 1.86 1.28 0.00 0.00 0.00 175.76 178.11 3i97 n LEU 7 N 5.66 0.12 0.00 0.00 4.77 -0.91 -4.90 117.00 121.74 3i97 n LEU 7 Ca 0.13 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3i97 n LEU 7 Cb 0.44 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i97 n LEU 7 CO 0.58 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3i97 n GLY 8 N 1.45 -0.22 0.45 -0.72 0.00 -1.26 -4.37 105.19 100.51 3i97 n GLY 8 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.89 -0.22 1.61 2.86 -1.88 -0.40 114.93 116.01 3i97 h MET 9 Ca 0.00 0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3i97 h MET 9 Cb 0.00 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3i97 h MET 9 CO 0.00 -0.59 -0.40 1.49 1.06 0.00 0.00 176.91 178.47 3i97 h GLU 10 N -0.92 0.51 0.00 1.72 4.81 -1.83 -3.30 114.58 115.56 3i97 h GLU 10 Ca -0.06 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 3i97 h GLU 10 Cb 0.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 3i97 h GLU 10 CO -0.04 0.82 -0.73 0.66 -0.73 0.00 0.00 179.01 178.99 3i97 h SER 11 N 0.42 0.00 0.00 1.04 4.64 -1.93 -3.48 113.55 114.23 3i97 h SER 11 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i97 h SER 11 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3i97 h SER 11 CO 0.08 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3i97 n GLY 12 N 1.27 2.89 0.46 -0.77 0.00 -0.20 -4.94 105.19 103.89 3i97 n GLY 12 Ca -0.01 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 1.62 0.00 -4.66 1.61 4.81 -1.82 -3.26 114.58 112.88 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 -0.20 0.00 0.63 0.00 0.00 28.75 29.18 3i97 h GLU 13 CO 0.00 0.00 -0.42 0.42 -0.73 0.00 0.00 179.01 178.28 3i97 s ILE 14 N -4.62 5.25 0.80 2.32 1.01 -0.94 -4.92 121.20 120.09 3i97 s ILE 14 Ca -0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3i97 s ILE 14 Cb 0.16 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.87 3i97 s ILE 14 CO 0.57 -0.17 1.12 -1.00 0.00 0.00 0.00 174.94 175.46 3i97 s HIS 15 N 1.77 2.23 0.31 3.97 3.76 -1.23 -4.77 115.29 121.31 3i97 s HIS 15 Ca 0.07 1.63 -0.01 0.00 -0.15 0.00 0.00 55.06 56.60 3i97 s HIS 15 Cb -0.18 -3.20 0.48 0.00 1.11 0.00 0.00 32.58 30.79 3i97 s HIS 15 CO 0.11 -2.19 1.96 0.77 -0.85 0.00 0.00 174.74 174.54 3i97 h SER 16 N -1.11 0.88 0.00 1.40 0.02 -1.95 -1.52 113.55 111.27 3i97 h SER 16 Ca -0.44 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3i97 h SER 16 Cb 1.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3i97 h SER 16 CO 0.48 0.66 0.00 -0.90 -1.14 0.00 0.00 176.83 175.94 3i97 n ASP 17 N -4.40 0.00 0.01 3.07 5.68 -1.26 -1.67 116.55 117.98 3i97 n ASP 17 Ca 0.08 -0.69 0.11 0.00 -0.50 0.00 0.00 54.79 53.78 3i97 n ASP 17 Cb 0.06 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.94 0.12 -3.82 0.11 6.02 -0.57 -4.83 117.38 113.47 3i97 n GLN 18 Ca 0.13 -0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.75 3i97 n GLN 18 Cb 0.06 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 29.67 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 -3.08 4.46 0.08 5.09 1.01 -0.67 0.06 121.20 128.15 3i97 s ILE 19 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3i97 s ILE 19 Cb 0.16 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3i97 s ILE 19 CO 0.80 0.36 -0.05 0.42 0.00 0.00 0.00 174.94 176.46 3i97 s THR 20 N 1.36 0.53 0.22 2.92 -4.23 -0.56 -4.80 115.64 111.08 3i97 s THR 20 Ca 0.05 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3i97 s THR 20 Cb -0.15 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 3i97 s THR 20 CO 0.04 -0.91 0.14 0.00 -0.54 0.00 0.00 174.62 173.35 3i97 s ALA 21 N -3.71 1.29 0.29 3.99 0.00 -1.26 -0.66 121.76 121.70 3i97 s ALA 21 Ca 0.10 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.31 3i97 s ALA 21 Cb 0.06 1.37 0.44 0.00 0.00 0.00 0.00 23.12 24.99 3i97 s ALA 21 CO -0.07 -0.58 1.85 0.66 0.00 0.00 0.00 175.76 177.62 3i97 h SER 22 N 2.55 0.74 -2.01 0.00 4.64 -0.98 -3.47 113.55 115.02 3i97 h SER 22 Ca -0.35 -0.12 0.17 0.00 -0.47 0.00 0.00 61.79 61.02 3i97 h SER 22 Cb 1.25 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3i97 h SER 22 CO 0.52 0.72 0.55 -1.54 -0.87 0.00 0.00 176.83 176.20 3i97 n SER 23 N -4.29 -1.24 -3.76 4.97 3.41 -1.26 -4.99 113.62 106.45 3i97 n SER 23 Ca 0.04 -1.56 -0.13 0.00 -0.26 0.00 0.00 58.87 56.97 3i97 n SER 23 Cb 0.21 2.00 -0.12 0.00 -0.26 0.00 0.00 64.21 66.04 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 0.31 0.25 4.33 -2.07 -1.26 -4.38 119.66 114.81 3i97 s GLN 24 Ca 0.20 0.43 -0.04 0.00 -1.82 0.00 0.00 55.36 54.14 3i97 s GLN 24 Cb -0.02 0.10 0.37 0.00 -1.09 0.00 0.00 33.01 32.37 3i97 s GLN 24 CO 0.03 -0.07 1.87 -0.92 -1.32 0.00 0.00 175.29 174.88 3i97 h TYR 25 N 6.05 1.10 0.00 9.60 3.20 -0.42 -3.38 116.97 133.13 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 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.10 3i97 h TYR 25 CO 0.39 0.56 0.00 -1.13 -1.64 0.00 0.00 178.16 176.34 3i97 n SER 26 N -4.56 0.00 0.30 -2.11 3.41 -1.26 -4.92 113.62 104.48 3i97 n SER 26 Ca 0.14 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.92 3i97 n SER 26 Cb 0.18 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.05 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 0.11 0.00 0.00 6.66 1.35 -1.99 0.64 112.91 119.68 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 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 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 -2.82 0.00 -2.80 5.36 4.13 -1.26 -3.24 115.26 114.64 3i97 n ASN 28 Ca -0.02 0.10 -0.01 0.00 1.68 0.00 0.00 54.58 56.33 3i97 n ASN 28 Cb 0.21 -0.32 0.06 0.00 -1.54 0.00 0.00 39.78 38.19 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 -1.32 0.61 -1.68 3.10 7.02 0.22 -4.58 117.44 120.81 3i97 n TRP 29 Ca 0.08 -2.10 -0.30 0.00 -1.02 0.00 0.00 57.50 54.17 3i97 n TRP 29 Cb 0.17 0.11 0.08 0.00 -2.42 0.00 0.00 31.31 29.24 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 -3.26 4.72 0.38 -0.99 1.04 -1.10 -2.35 113.70 112.13 3i97 s SER 30 Ca 0.24 1.19 0.08 0.00 0.48 0.00 0.00 55.95 57.94 3i97 s SER 30 Cb 0.35 -1.91 0.82 0.00 0.10 0.00 0.00 66.02 65.38 3i97 s SER 30 CO -0.05 -1.81 1.97 0.00 0.98 0.00 0.00 173.24 174.32 3i97 h ALA 31 N -0.98 1.78 0.00 5.32 0.00 -1.91 -1.87 119.26 121.61 3i97 h ALA 31 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 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 0.61 0.10 0.00 -0.85 0.00 0.00 0.00 179.25 179.11 3i97 n GLU 32 N -4.48 0.52 -0.41 0.00 0.28 -1.26 -1.77 120.64 113.51 3i97 n GLU 32 Ca 0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.22 3i97 n GLU 32 Cb 0.26 -1.44 0.33 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.94 2.87 -0.04 3.44 1.74 -0.70 -4.38 116.66 118.65 3i97 n ARG 33 Ca 0.11 -2.71 0.13 0.00 -0.77 0.00 0.00 57.85 54.60 3i97 n ARG 33 Cb 0.05 -1.62 0.36 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.61 2.10 -4.72 0.55 3.41 -0.73 -3.91 113.62 111.92 3i97 n SER 34 Ca 0.25 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.73 3i97 n SER 34 Cb 0.66 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 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 4.16 -0.07 4.33 0.52 -1.26 0.59 118.95 125.32 3i97 s ARG 35 Ca 0.34 2.50 -0.40 0.00 -0.52 0.00 0.00 55.73 57.66 3i97 s ARG 35 Cb 0.20 -3.10 -0.18 0.00 0.52 0.00 0.00 34.95 32.39 3i97 s ARG 35 CO 0.31 -0.67 1.36 -0.11 0.02 0.00 0.00 175.30 176.21 3i97 n LEU 36 N 3.67 1.23 -0.13 2.53 7.94 -0.37 -0.94 117.00 130.93 3i97 n LEU 36 Ca 0.14 1.13 -0.02 0.00 -1.11 0.00 0.00 56.01 56.15 3i97 n LEU 36 Cb 0.37 -1.06 -0.01 0.00 0.53 0.00 0.00 43.42 43.25 3i97 n LEU 36 CO 0.63 -1.17 -0.02 0.59 -1.11 0.00 0.00 177.39 176.31 3i97 n ASN 37 N 2.90 -3.48 -4.69 1.96 3.02 -1.26 -4.67 115.26 109.04 3i97 n ASN 37 Ca 0.22 0.04 -0.45 0.00 -0.03 0.00 0.00 54.58 54.36 3i97 n ASN 37 Cb 0.12 -1.14 -0.04 0.00 -0.61 0.00 0.00 39.78 38.12 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 -2.86 2.41 1.20 3.10 9.36 -0.11 -4.87 117.16 125.38 3i97 n TYR 38 Ca -0.02 0.24 0.14 0.00 3.32 0.00 0.00 57.90 61.58 3i97 n TYR 38 Cb 0.10 -2.57 0.66 0.00 -0.63 0.00 0.00 39.34 36.91 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 3.28 0.21 -3.82 2.98 -0.04 -1.26 -4.61 135.00 131.74 3i97 n PRO 39 Ca 0.15 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 3i97 n PRO 39 Cb 0.31 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.80 1.03 3.47 0.54 2.02 -1.26 -5.03 118.70 116.67 3i97 s GLU 40 Ca 0.21 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.20 3i97 s GLU 40 Cb 0.20 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3i97 s GLU 40 CO 0.51 -0.80 0.00 0.09 0.02 0.00 0.00 175.26 175.07 3i97 n ASN 41 N 4.78 -0.46 0.00 -0.19 3.02 -1.26 -4.97 115.26 116.17 3i97 n ASN 41 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 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 2.99 3.73 7.41 0.00 -1.26 -4.82 105.19 113.24 3i97 n GLY 42 Ca 0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.56 3.54 -0.04 1.61 -0.00 -0.76 -4.20 118.94 116.53 3i97 s TRP 43 Ca 0.00 0.92 -0.01 0.00 -0.00 0.00 0.00 56.10 57.01 3i97 s TRP 43 Cb 0.00 -2.54 0.03 0.00 -0.00 0.00 0.00 33.47 30.96 3i97 s TRP 43 CO 0.00 0.21 0.02 0.99 -0.00 0.00 0.00 176.95 178.16 3i97 s THR 44 N 0.47 0.15 1.07 5.86 2.01 -0.99 -1.25 115.64 122.96 3i97 s THR 44 Ca 0.26 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.32 3i97 s THR 44 Cb -0.15 -0.30 0.23 0.00 0.01 0.00 0.00 72.50 72.29 3i97 s THR 44 CO 0.11 0.18 1.06 -2.16 -0.69 0.00 0.00 174.62 173.12 3i97 s PRO 45 N 1.54 -0.17 0.00 4.92 0.04 -1.26 0.05 135.00 140.12 3i97 s PRO 45 Ca -0.03 0.70 0.14 0.00 0.04 0.00 0.00 61.00 61.86 3i97 s PRO 45 Cb -0.13 -1.65 0.78 0.00 0.04 0.00 0.00 34.50 33.54 3i97 s PRO 45 CO -0.03 -3.19 1.33 0.41 0.04 0.00 0.00 177.00 175.57 3i97 n GLY 46 N -0.18 -0.61 3.62 0.56 0.00 -1.26 -3.53 105.19 103.79 3i97 n GLY 46 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 3i97 n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i97 s GLU 47 N -2.31 0.60 -0.57 1.61 -1.05 -1.26 -4.90 118.70 110.82 3i97 s GLU 47 Ca 0.17 -0.29 -0.15 0.00 -0.15 0.00 0.00 54.97 54.55 3i97 s GLU 47 Cb 0.10 0.23 0.14 0.00 -0.44 0.00 0.00 34.13 34.15 3i97 s GLU 47 CO 0.19 -0.27 0.51 -0.51 0.95 0.00 0.00 175.26 176.14 3i97 s ASP 48 N -2.68 6.19 0.00 0.83 1.01 -1.26 -4.95 116.67 115.82 3i97 s ASP 48 Ca 0.11 -1.91 0.00 0.00 0.71 0.00 0.00 52.55 51.46 3i97 s ASP 48 Cb 0.01 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.76 3i97 s ASP 48 CO -0.04 -0.81 0.00 -1.54 0.21 0.00 0.00 175.17 173.00 3i97 n SER 49 N 5.05 0.00 -0.00 0.27 3.41 -1.26 -5.07 113.62 116.02 3i97 n SER 49 Ca -0.10 -0.20 0.03 0.00 -0.26 0.00 0.00 58.87 58.34 3i97 n SER 49 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3i97 n SER 49 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3i97 n TYR 50 N 0.00 0.00 -0.11 7.33 4.02 -1.26 -4.26 117.16 122.88 3i97 n TYR 50 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 3i97 n TYR 50 Cb 0.00 -0.08 0.16 0.00 -0.02 0.00 0.00 39.34 39.40 3i97 n TYR 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3i97 n ARG 51 N -1.47 2.44 -4.15 -0.72 1.74 -1.26 -4.77 116.66 108.47 3i97 n ARG 51 Ca -0.00 -1.68 -0.30 0.00 -0.77 0.00 0.00 57.85 55.10 3i97 n ARG 51 Cb 0.13 -1.79 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 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 -1.88 2.59 -0.12 5.56 0.41 -1.26 -4.99 118.70 119.01 3i97 s GLU 52 Ca 0.30 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 3i97 s GLU 52 Cb 0.24 -2.56 0.10 0.00 -1.78 0.00 0.00 34.13 30.13 3i97 s GLU 52 CO 0.07 0.55 0.84 1.67 -0.49 0.00 0.00 175.26 177.91 3i97 s TRP 53 N -1.28 -0.53 -0.01 1.61 1.48 -1.26 -4.23 118.94 114.72 3i97 s TRP 53 Ca 0.25 0.95 0.04 0.00 -1.06 0.00 0.00 56.10 56.29 3i97 s TRP 53 Cb -0.12 0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.60 3i97 s TRP 53 CO 0.17 -0.46 -0.14 -1.50 -4.06 0.00 0.00 176.95 170.96 3i97 s ILE 54 N -0.99 1.12 0.08 0.66 2.07 -0.98 -0.21 121.20 122.94 3i97 s ILE 54 Ca -0.06 -0.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 3i97 s ILE 54 Cb -0.01 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 3i97 s ILE 54 CO 0.05 0.31 -0.05 0.00 -1.91 0.00 0.00 174.94 173.34 3i97 s GLN 55 N -0.35 0.74 0.13 3.50 -2.07 0.16 -0.32 119.66 121.46 3i97 s GLN 55 Ca 0.05 -1.28 0.11 0.00 -1.82 0.00 0.00 55.36 52.42 3i97 s GLN 55 Cb -0.06 -0.04 -0.04 0.00 -1.09 0.00 0.00 33.01 31.79 3i97 s GLN 55 CO -0.01 -0.05 -0.26 0.54 -1.32 0.00 0.00 175.29 174.19 3i97 s VAL 56 N -3.72 2.30 -0.35 3.63 0.11 -0.54 -1.49 120.40 120.34 3i97 s VAL 56 Ca 0.10 -1.77 -0.01 0.00 -2.93 0.00 0.00 61.98 57.37 3i97 s VAL 56 Cb 0.06 -2.03 0.09 0.00 -1.53 0.00 0.00 36.38 32.97 3i97 s VAL 56 CO -0.07 0.07 0.09 -0.62 -3.33 0.00 0.00 175.10 171.24 3i97 s ASP 57 N -2.12 4.99 0.56 3.54 -1.08 0.11 -1.97 116.67 120.70 3i97 s ASP 57 Ca 0.15 -1.79 0.38 0.00 -0.52 0.00 0.00 52.55 50.77 3i97 s ASP 57 Cb -0.10 -1.73 2.04 0.00 -1.46 0.00 0.00 42.92 41.67 3i97 s ASP 57 CO 0.07 -0.40 2.16 -0.07 0.52 0.00 0.00 175.17 177.44 3i97 h LEU 58 N 7.92 0.00 0.00 -1.34 3.38 -0.85 -3.46 115.31 120.96 3i97 h LEU 58 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 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 0.59 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.73 3i97 n GLY 59 N -1.09 1.65 3.59 0.83 0.00 -1.26 -4.97 105.19 103.94 3i97 n GLY 59 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3i97 n GLY 59 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i97 s LEU 60 N 0.00 -0.03 0.36 0.99 2.34 -1.26 -5.14 118.68 115.94 3i97 s LEU 60 Ca 0.00 -0.06 -0.28 0.00 0.06 0.00 0.00 54.13 53.85 3i97 s LEU 60 Cb 0.00 1.18 -0.11 0.00 -0.56 0.00 0.00 46.19 46.70 3i97 s LEU 60 CO 0.00 -0.14 1.51 0.18 -1.06 0.00 0.00 176.35 176.84 3i97 n LEU 61 N -0.44 4.71 -3.97 1.48 4.77 -1.26 -4.51 117.00 117.77 3i97 n LEU 61 Ca -0.08 1.21 -0.09 0.00 -0.03 0.00 0.00 56.01 57.02 3i97 n LEU 61 Cb 0.63 -1.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.02 3i97 n LEU 61 CO 0.11 0.16 -0.11 -0.13 -1.33 0.00 0.00 177.39 176.10 3i97 s ARG 62 N -1.78 1.00 -0.10 3.23 1.81 -0.47 -4.77 118.95 117.87 3i97 s ARG 62 Ca 0.55 -1.17 -0.25 0.00 -1.72 0.00 0.00 55.73 53.14 3i97 s ARG 62 Cb -0.48 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.33 3i97 s ARG 62 CO 0.61 -0.34 0.81 -0.06 -0.68 0.00 0.00 175.30 175.64 3i97 s PHE 63 N -3.95 3.52 -0.13 -0.53 0.08 -0.42 -2.79 117.98 113.76 3i97 s PHE 63 Ca 0.15 1.33 0.02 0.00 0.12 0.00 0.00 56.93 58.55 3i97 s PHE 63 Cb 0.05 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.55 3i97 s PHE 63 CO -0.03 -0.09 -0.20 0.08 -0.10 0.00 0.00 175.22 174.88 3i97 s VAL 64 N 1.49 1.90 -0.01 -0.44 1.01 0.41 -1.72 120.40 123.05 3i97 s VAL 64 Ca 0.40 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3i97 s VAL 64 Cb -0.18 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3i97 s VAL 64 CO 0.17 0.52 0.07 0.35 0.00 0.00 0.00 175.10 176.21 3i97 n THR 65 N 4.09 0.01 -3.63 3.92 -2.24 0.01 -0.94 114.28 115.50 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 0.51 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.05 6.98 0.00 -1.11 -1.52 121.76 122.03 3i97 s ALA 66 Ca -0.01 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3i97 s ALA 66 Cb 0.02 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3i97 s ALA 66 CO 0.14 -0.88 -0.09 0.14 0.00 0.00 0.00 175.76 175.06 3i97 s VAL 67 N -2.90 0.69 -0.04 0.00 -7.23 -0.97 0.13 120.40 110.08 3i97 s VAL 67 Ca 0.10 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3i97 s VAL 67 Cb 0.00 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 3i97 s VAL 67 CO -0.03 -0.32 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.43 3i97 s GLY 68 N -1.57 1.44 0.28 2.32 0.00 0.28 -0.82 107.32 109.25 3i97 s GLY 68 Ca -0.07 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.66 3i97 s GLY 68 CO 0.01 -0.81 0.02 -0.51 0.00 0.00 0.00 173.10 171.81 3i97 s THR 69 N -0.66 1.17 0.22 0.90 -4.23 -0.97 -1.26 115.64 110.81 3i97 s THR 69 Ca 0.10 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3i97 s THR 69 Cb -0.11 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 3i97 s THR 69 CO 0.00 -0.16 0.27 -1.10 -0.54 0.00 0.00 174.62 173.09 3i97 s GLN 70 N -3.86 1.35 0.00 3.99 -0.21 0.20 -2.66 119.66 118.47 3i97 s GLN 70 Ca 0.33 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 54.21 3i97 s GLN 70 Cb 0.07 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.43 3i97 s GLN 70 CO 0.13 -0.50 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 3i97 n GLY 71 N -0.32 2.01 3.56 3.09 0.00 -0.74 -2.51 105.19 110.27 3i97 n GLY 71 Ca 0.01 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.97 -1.92 -0.08 4.61 0.00 0.16 -4.32 121.76 117.24 3i97 s ALA 72 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.38 3i97 s ALA 72 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3i97 s ALA 72 CO 0.00 -0.48 -0.12 0.42 0.00 0.00 0.00 175.76 175.58 3i97 s ILE 73 N -1.99 3.21 -0.11 0.00 1.01 -1.26 -0.74 121.20 121.33 3i97 s ILE 73 Ca 0.02 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3i97 s ILE 73 Cb -0.01 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3i97 s ILE 73 CO -0.03 0.57 1.13 -0.94 0.00 0.00 0.00 174.94 175.67 3i97 s SER 74 N -0.45 7.10 0.53 3.58 1.04 -0.90 -4.18 113.70 120.42 3i97 s SER 74 Ca 0.06 1.65 0.34 0.00 0.48 0.00 0.00 55.95 58.48 3i97 s SER 74 Cb -0.12 -2.55 1.51 0.00 0.10 0.00 0.00 66.02 64.95 3i97 s SER 74 CO 0.02 -0.58 1.83 0.11 0.98 0.00 0.00 173.24 175.60 3i97 h LYS 75 N 7.45 0.02 0.05 4.02 1.79 -1.96 -0.57 116.57 127.38 3i97 h LYS 75 Ca -0.30 -0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.87 3i97 h LYS 75 Cb 1.14 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 3i97 h LYS 75 CO 0.90 0.02 -1.63 -1.91 -1.08 0.00 0.00 179.45 175.75 3i97 n GLU 76 N -4.23 0.64 -0.00 3.15 4.07 -1.26 -4.61 120.64 118.40 3i97 n GLU 76 Ca 0.24 0.43 0.07 0.00 -0.06 0.00 0.00 57.16 57.84 3i97 n GLU 76 Cb 1.14 -1.72 -0.09 0.00 -0.06 0.00 0.00 31.44 30.72 3i97 n GLU 76 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3i97 n THR 77 N -4.04 0.00 -0.85 6.31 -2.24 -1.12 -4.98 114.28 107.36 3i97 n THR 77 Ca -0.33 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3i97 n THR 77 Cb 0.84 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.59 0.00 -2.14 -0.78 4.01 -0.24 -4.97 118.16 112.46 3i97 n LYS 78 Ca 0.01 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.40 3i97 n LYS 78 Cb 0.28 -2.74 -0.02 0.00 -0.51 0.00 0.00 35.03 32.03 3i97 n LYS 78 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3i97 s LYS 79 N -0.14 4.37 -0.22 1.97 1.02 -1.26 -4.65 119.74 120.82 3i97 s LYS 79 Ca 0.00 2.19 -0.12 0.00 0.02 0.00 0.00 55.97 58.06 3i97 s LYS 79 Cb 0.00 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3i97 s LYS 79 CO 0.00 -0.17 0.23 0.15 -0.92 0.00 0.00 175.35 174.63 3i97 s LYS 80 N -1.68 4.11 -0.02 1.68 1.02 -1.26 -2.11 119.74 121.47 3i97 s LYS 80 Ca 0.49 -0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.42 3i97 s LYS 80 Cb -0.39 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 3i97 s LYS 80 CO 0.52 0.06 -0.20 0.71 -0.92 0.00 0.00 175.35 175.51 3i97 s TYR 81 N 1.05 1.85 -0.23 3.18 2.02 0.08 -4.58 117.35 120.71 3i97 s TYR 81 Ca 0.11 -0.39 -0.26 0.00 -0.37 0.00 0.00 57.07 56.15 3i97 s TYR 81 Cb -0.14 -1.20 0.10 0.00 -0.40 0.00 0.00 41.96 40.32 3i97 s TYR 81 CO 0.05 -0.06 0.88 1.52 -1.57 0.00 0.00 175.55 176.37 3i97 s TYR 82 N -0.38 -0.59 -0.03 2.71 1.13 -1.23 0.37 117.35 119.34 3i97 s TYR 82 Ca 0.05 1.33 -0.24 0.00 -1.41 0.00 0.00 57.07 56.80 3i97 s TYR 82 Cb -0.09 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 3i97 s TYR 82 CO -0.00 -0.34 0.74 0.08 -2.51 0.00 0.00 175.55 173.52 3i97 s VAL 83 N -0.09 4.93 -0.13 -3.49 1.01 -1.25 -1.50 120.40 119.89 3i97 s VAL 83 Ca -0.00 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 3i97 s VAL 83 Cb -0.04 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 32.00 3i97 s VAL 83 CO -0.01 0.28 0.44 0.11 0.00 0.00 0.00 175.10 175.92 3i97 h LYS 84 N 6.41 0.20 -4.70 2.72 1.57 -0.82 -2.46 116.57 119.49 3i97 h LYS 84 Ca -0.42 -0.34 -0.26 0.00 -1.87 0.00 0.00 60.65 57.76 3i97 h LYS 84 Cb 1.20 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.47 3i97 h LYS 84 CO 0.74 1.16 -0.71 0.95 -0.57 0.00 0.00 179.45 181.02 3i97 s THR 85 N -2.48 0.71 0.07 -0.16 -4.23 -1.12 -0.27 115.64 108.16 3i97 s THR 85 Ca -0.22 -1.67 -0.26 0.00 -1.18 0.00 0.00 61.69 58.36 3i97 s THR 85 Cb 0.05 -1.35 0.08 0.00 1.34 0.00 0.00 72.50 72.62 3i97 s THR 85 CO 0.73 -0.69 0.70 -0.72 -0.54 0.00 0.00 174.62 174.10 3i97 s TYR 86 N -2.83 -0.51 0.28 3.99 -0.85 -0.88 -0.74 117.35 115.80 3i97 s TYR 86 Ca 0.05 0.47 0.08 0.00 -0.52 0.00 0.00 57.07 57.15 3i97 s TYR 86 Cb -0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3i97 s TYR 86 CO -0.02 -0.71 0.15 0.15 -1.52 0.00 0.00 175.55 173.59 3i97 s LYS 87 N -2.97 2.67 -0.04 -3.49 1.02 -0.71 -0.67 119.74 115.54 3i97 s LYS 87 Ca -0.01 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 54.79 3i97 s LYS 87 Cb -0.01 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3i97 s LYS 87 CO -0.07 0.32 -0.16 0.42 -0.92 0.00 0.00 175.35 174.94 3i97 s ILE 88 N -2.24 1.38 -0.02 2.17 1.01 -1.26 0.07 121.20 122.31 3i97 s ILE 88 Ca 0.34 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3i97 s ILE 88 Cb -0.07 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3i97 s ILE 88 CO 0.23 0.40 -0.11 -1.81 0.00 0.00 0.00 174.94 173.65 3i97 s ASP 89 N 0.09 4.27 0.17 3.58 1.01 0.11 -1.75 116.67 124.15 3i97 s ASP 89 Ca -0.05 -0.20 0.08 0.00 0.71 0.00 0.00 52.55 53.09 3i97 s ASP 89 Cb -0.12 -0.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3i97 s ASP 89 CO 0.02 0.31 -0.16 0.68 0.21 0.00 0.00 175.17 176.24 3i97 s VAL 90 N -0.87 1.67 -0.05 -1.27 -7.23 0.16 -0.26 120.40 112.55 3i97 s VAL 90 Ca 0.14 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 3i97 s VAL 90 Cb -0.11 -1.86 0.03 0.00 0.56 0.00 0.00 36.38 35.00 3i97 s VAL 90 CO 0.04 -0.46 0.32 -0.55 -0.31 0.00 0.00 175.10 174.14 3i97 s SER 91 N -2.89 -0.25 0.00 4.85 0.15 -0.93 -1.08 113.70 113.55 3i97 s SER 91 Ca 0.17 0.30 0.28 0.00 0.70 0.00 0.00 55.95 57.39 3i97 s SER 91 Cb -0.03 0.45 1.00 0.00 -1.71 0.00 0.00 66.02 65.73 3i97 s SER 91 CO 0.06 -0.33 1.72 -1.54 1.20 0.00 0.00 173.24 174.35 3i97 n SER 92 N 1.85 0.72 -0.65 5.45 3.41 -1.26 -1.52 113.62 121.62 3i97 n SER 92 Ca -0.19 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 3i97 n SER 92 Cb 0.57 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3i97 n SER 92 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i97 n ASN 93 N -0.82 0.07 0.00 4.04 0.23 -1.26 -4.79 115.26 112.73 3i97 n ASN 93 Ca 0.13 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 3i97 n ASN 93 Cb 0.31 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.06 0.00 0.87 4.83 0.00 -1.26 -4.61 105.19 105.07 3i97 n GLY 94 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.37 0.09 -3.01 1.61 2.13 -1.26 -4.99 120.64 114.85 3i97 n GLU 95 Ca 0.00 0.04 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 3i97 n GLU 95 Cb 0.24 -0.66 -0.05 0.00 0.27 0.00 0.00 31.44 31.24 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 -5.51 6.86 -0.19 4.31 -0.00 -1.26 -5.06 116.67 115.82 3i97 s ASP 96 Ca -0.06 1.05 -0.02 0.00 -0.00 0.00 0.00 52.55 53.52 3i97 s ASP 96 Cb 0.02 -2.41 -0.00 0.00 -0.00 0.00 0.00 42.92 40.53 3i97 s ASP 96 CO 0.08 -0.29 -0.11 0.26 -0.00 0.00 0.00 175.17 175.11 3i97 s TRP 97 N 1.77 2.87 -0.09 4.23 0.52 -1.26 -4.20 118.94 122.78 3i97 s TRP 97 Ca 0.35 -1.08 -0.01 0.00 0.02 0.00 0.00 56.10 55.38 3i97 s TRP 97 Cb -0.16 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 3i97 s TRP 97 CO 0.13 -0.55 -0.05 0.42 0.02 0.00 0.00 176.95 176.91 3i97 s ILE 98 N 1.19 3.83 0.06 2.03 -1.09 -0.25 -4.90 121.20 122.07 3i97 s ILE 98 Ca 0.02 -0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 57.84 3i97 s ILE 98 Cb -0.14 -2.60 -0.06 0.00 -1.58 0.00 0.00 42.46 38.07 3i97 s ILE 98 CO -0.04 0.57 0.53 -0.89 -1.23 0.00 0.00 174.94 173.88 3i97 s THR 99 N -0.50 4.82 -0.33 2.92 2.01 -1.26 -0.67 115.64 122.63 3i97 s THR 99 Ca 0.08 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.89 3i97 s THR 99 Cb -0.12 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3i97 s THR 99 CO 0.02 0.53 2.13 -0.63 -0.69 0.00 0.00 174.62 175.97 3i97 s ILE 100 N -1.14 3.15 0.10 1.82 1.01 -0.72 -4.93 121.20 120.50 3i97 s ILE 100 Ca 0.29 0.14 0.01 0.00 0.00 0.00 0.00 60.65 61.09 3i97 s ILE 100 Cb -0.18 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3i97 s ILE 100 CO 0.18 -0.17 0.24 -0.54 0.00 0.00 0.00 174.94 174.64 3i97 s LYS 101 N 6.60 3.41 -0.39 2.79 -0.14 -1.26 -1.10 119.74 129.64 3i97 s LYS 101 Ca 0.92 -0.53 -0.18 0.00 -1.36 0.00 0.00 55.97 54.82 3i97 s LYS 101 Cb -0.26 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 32.92 3i97 s LYS 101 CO 0.32 0.56 0.51 -2.00 -0.76 0.00 0.00 175.35 173.99 3i97 s GLU 102 N -2.86 3.39 4.90 1.68 2.56 0.37 -4.81 118.70 123.93 3i97 s GLU 102 Ca 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 54.97 54.92 3i97 s GLU 102 Cb -0.12 -3.89 0.00 0.00 2.00 0.00 0.00 34.13 32.12 3i97 s GLU 102 CO 0.28 -0.79 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 3i97 n GLY 103 N 4.95 0.84 0.09 -1.50 0.00 -1.26 -1.10 105.19 107.21 3i97 n GLY 103 Ca -0.05 0.53 0.07 0.00 0.00 0.00 0.00 46.02 46.57 3i97 n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i97 n ASN 104 N 9.91 2.03 -4.09 1.61 5.15 -1.26 -5.00 115.26 123.61 3i97 n ASN 104 Ca 0.00 -2.72 -0.32 0.00 -0.60 0.00 0.00 54.58 50.94 3i97 n ASN 104 Cb 0.00 -0.31 -0.16 0.00 -0.53 0.00 0.00 39.78 38.78 3i97 n ASN 104 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i97 s LYS 105 N -2.18 2.71 0.28 1.20 -2.85 -0.26 -5.04 119.74 113.61 3i97 s LYS 105 Ca 0.22 -0.72 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 3i97 s LYS 105 Cb 0.19 -2.36 -0.15 0.00 -2.06 0.00 0.00 37.83 33.46 3i97 s LYS 105 CO 0.02 -0.19 0.89 -2.30 0.10 0.00 0.00 175.35 173.87 3i97 n PRO 106 N 4.60 1.03 -3.50 1.78 -0.02 -1.26 -0.48 135.00 137.15 3i97 n PRO 106 Ca -0.19 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.28 3i97 n PRO 106 Cb 0.50 -1.65 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.07 5.28 -0.48 -1.45 1.01 -0.26 -4.73 120.40 118.70 3i97 s VAL 107 Ca 0.60 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 3i97 s VAL 107 Cb -0.74 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.06 3i97 s VAL 107 CO 0.59 0.32 0.48 -0.22 0.00 0.00 0.00 175.10 176.28 3i97 s LEU 108 N 0.93 5.37 0.25 3.92 2.96 -1.26 -4.59 118.68 126.27 3i97 s LEU 108 Ca 0.15 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.60 3i97 s LEU 108 Cb -0.14 -2.28 -0.09 0.00 0.50 0.00 0.00 46.19 44.18 3i97 s LEU 108 CO 0.05 -0.74 1.01 -0.36 -1.32 0.00 0.00 176.35 175.00 3i97 s PHE 109 N 2.02 3.81 -0.11 5.38 0.08 0.15 -4.89 117.98 124.42 3i97 s PHE 109 Ca 0.08 1.82 -0.24 0.00 0.12 0.00 0.00 56.93 58.72 3i97 s PHE 109 Cb -0.22 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.09 3i97 s PHE 109 CO 0.09 0.03 0.74 -0.65 -0.10 0.00 0.00 175.22 175.32 3i97 s GLN 110 N -1.26 4.37 0.00 0.44 -1.52 -1.26 -2.08 119.66 118.35 3i97 s GLN 110 Ca 0.43 0.90 0.00 0.00 -1.95 0.00 0.00 55.36 54.74 3i97 s GLN 110 Cb -0.28 -3.50 0.00 0.00 -0.22 0.00 0.00 33.01 29.00 3i97 s GLN 110 CO 0.36 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.71 3i97 n GLY 111 N 3.29 1.18 3.90 3.09 0.00 0.63 -4.83 105.19 112.45 3i97 n GLY 111 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 0.06 6.49 0.00 1.61 -0.87 -0.93 -4.91 114.94 116.39 3i97 s ASN 112 Ca 0.00 0.74 0.00 0.00 -1.57 0.00 0.00 52.86 52.03 3i97 s ASN 112 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 3i97 s ASN 112 CO 0.00 -0.13 0.37 0.35 -2.57 0.00 0.00 177.10 175.12 3i97 n THR 113 N -0.62 0.00 -4.06 1.60 -2.24 -1.26 -4.33 114.28 103.37 3i97 n THR 113 Ca -0.01 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3i97 n THR 113 Cb 0.53 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 3i97 n THR 113 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i97 s ASN 114 N -0.10 0.93 0.03 3.42 2.20 -1.26 -5.09 114.94 115.07 3i97 s ASN 114 Ca 0.00 -1.50 0.22 0.00 -0.94 0.00 0.00 52.86 50.64 3i97 s ASN 114 Cb 0.00 0.71 -0.19 0.00 -2.00 0.00 0.00 41.25 39.76 3i97 s ASN 114 CO 0.00 -1.38 0.74 -0.81 -2.94 0.00 0.00 177.10 172.70 3i97 n PRO 115 N -0.59 0.49 -0.03 3.55 -0.04 -1.26 -4.31 135.00 132.82 3i97 n PRO 115 Ca -0.00 -0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 3i97 n PRO 115 Cb 0.61 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.17 0.27 -2.68 0.52 -2.24 -1.26 -1.79 114.28 104.93 3i97 n THR 116 Ca -0.01 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 3i97 n THR 116 Cb 0.51 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 -4.63 6.71 -0.16 3.42 1.01 -1.26 -4.91 116.67 116.85 3i97 s ASP 117 Ca -0.08 1.50 -0.17 0.00 0.71 0.00 0.00 52.55 54.51 3i97 s ASP 117 Cb 0.12 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3i97 s ASP 117 CO 0.86 -0.45 0.45 -0.69 0.21 0.00 0.00 175.17 175.55 3i97 s VAL 118 N -2.38 5.19 -0.16 -1.27 1.01 -1.26 -4.43 120.40 117.10 3i97 s VAL 118 Ca 0.58 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.41 3i97 s VAL 118 Cb -0.10 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3i97 s VAL 118 CO 0.24 0.29 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3i97 s VAL 119 N 0.96 1.18 -0.16 2.92 1.01 -1.09 -4.97 120.40 120.26 3i97 s VAL 119 Ca 0.23 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3i97 s VAL 119 Cb -0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3i97 s VAL 119 CO 0.09 0.21 0.45 -0.69 0.00 0.00 0.00 175.10 175.15 3i97 s VAL 120 N 1.61 5.19 -0.26 2.92 1.01 -1.26 -2.30 120.40 127.31 3i97 s VAL 120 Ca 0.02 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 3i97 s VAL 120 Cb -0.15 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3i97 s VAL 120 CO -0.08 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.29 3i97 s ALA 121 N 1.00 2.83 -0.18 5.51 0.00 -0.00 -5.00 121.76 125.92 3i97 s ALA 121 Ca 0.23 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 3i97 s ALA 121 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3i97 s ALA 121 CO 0.09 -0.78 0.43 0.08 0.00 0.00 0.00 175.76 175.59 3i97 s VAL 122 N 1.41 5.18 0.54 0.00 1.01 -1.26 -2.30 120.40 124.98 3i97 s VAL 122 Ca 0.02 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 3i97 s VAL 122 Cb -0.16 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3i97 s VAL 122 CO -0.02 0.26 1.23 -0.36 0.00 0.00 0.00 175.10 176.20 3i97 s PHE 123 N 1.20 2.51 0.33 5.22 0.08 -0.57 -4.90 117.98 121.84 3i97 s PHE 123 Ca 0.21 1.49 0.09 0.00 0.12 0.00 0.00 56.93 58.85 3i97 s PHE 123 Cb -0.15 -3.52 0.85 0.00 -0.57 0.00 0.00 43.02 39.63 3i97 s PHE 123 CO 0.08 -2.15 1.77 -1.35 -0.10 0.00 0.00 175.22 173.47 3i97 h PRO 124 N 1.34 0.63 -5.05 0.24 0.11 -1.90 -3.42 132.00 123.95 3i97 h PRO 124 Ca -0.50 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.24 3i97 h PRO 124 Cb 1.28 -0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 3i97 h PRO 124 CO 0.57 0.41 -0.73 0.15 -0.21 0.00 0.00 178.00 178.19 3i97 s LYS 125 N -5.76 0.93 0.24 1.05 1.02 -1.26 -5.13 119.74 110.83 3i97 s LYS 125 Ca -0.11 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.33 3i97 s LYS 125 Cb 0.26 -0.60 -0.09 0.00 -0.52 0.00 0.00 37.83 36.87 3i97 s LYS 125 CO 0.80 0.09 1.27 -2.14 -0.92 0.00 0.00 175.35 174.45 3i97 s PRO 126 N -3.06 4.42 0.09 -1.68 0.02 -1.26 -4.86 135.00 128.66 3i97 s PRO 126 Ca 0.09 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.23 3i97 s PRO 126 Cb -0.01 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3i97 s PRO 126 CO 0.00 -0.16 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.86 3i97 s LEU 127 N -0.68 2.84 -0.40 -5.54 1.43 -0.12 -4.94 118.68 111.27 3i97 s LEU 127 Ca 0.53 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 3i97 s LEU 127 Cb -0.36 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.25 3i97 s LEU 127 CO 0.42 0.20 0.22 -0.63 0.23 0.00 0.00 176.35 176.79 3i97 s ILE 128 N -1.11 4.20 0.06 -0.59 1.01 -1.26 -0.44 121.20 123.07 3i97 s ILE 128 Ca 0.18 -1.26 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 3i97 s ILE 128 Cb -0.11 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3i97 s ILE 128 CO 0.10 -0.40 0.09 1.07 0.00 0.00 0.00 174.94 175.80 3i97 n THR 129 N 4.91 0.00 0.00 2.92 5.66 -1.12 -4.90 114.28 121.75 3i97 n THR 129 Ca -0.11 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3i97 n THR 129 Cb 0.44 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.10 0.08 -4.18 1.09 0.63 -0.91 -1.37 116.66 111.90 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 0.10 -0.57 -0.11 0.00 0.45 0.00 0.00 32.46 32.33 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 -1.14 3.16 -0.17 -0.14 0.40 -0.58 -0.14 117.98 119.36 3i97 s PHE 131 Ca 0.00 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3i97 s PHE 131 Cb 0.00 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.53 3i97 s PHE 131 CO 0.00 0.09 -0.19 0.08 0.70 0.00 0.00 175.22 175.89 3i97 s VAL 132 N 0.33 2.16 -0.14 -0.44 1.01 -0.83 -2.18 120.40 120.30 3i97 s VAL 132 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3i97 s VAL 132 Cb -0.13 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3i97 s VAL 132 CO 0.01 0.53 -0.21 -0.60 0.00 0.00 0.00 175.10 174.84 3i97 s ARG 133 N 1.18 2.90 -0.09 2.72 3.52 0.64 -1.47 118.95 128.35 3i97 s ARG 133 Ca 0.02 -0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 54.68 3i97 s ARG 133 Cb -0.14 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 3i97 s ARG 133 CO -0.10 -0.06 0.34 0.42 -0.81 0.00 0.00 175.30 175.10 3i97 s ILE 134 N 0.94 5.21 -0.40 4.11 1.01 0.57 -0.71 121.20 131.93 3i97 s ILE 134 Ca -0.04 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.29 3i97 s ILE 134 Cb -0.15 -3.66 0.13 0.00 0.01 0.00 0.00 42.46 38.79 3i97 s ILE 134 CO -0.04 0.48 0.19 -0.54 0.00 0.00 0.00 174.94 175.03 3i97 s LYS 135 N -0.29 1.10 0.05 2.79 1.02 0.11 -2.32 119.74 122.20 3i97 s LYS 135 Ca 0.20 -1.71 -0.38 0.00 0.02 0.00 0.00 55.97 54.10 3i97 s LYS 135 Cb -0.15 -2.21 -0.18 0.00 -0.52 0.00 0.00 37.83 34.77 3i97 s LYS 135 CO 0.08 -1.11 1.15 -2.30 -0.92 0.00 0.00 175.35 172.25 3i97 n PRO 136 N 3.95 0.51 -0.04 -1.68 -0.02 -1.26 -1.73 135.00 134.72 3i97 n PRO 136 Ca 0.06 0.18 -0.05 0.00 -2.02 0.00 0.00 63.50 61.67 3i97 n PRO 136 Cb 0.37 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.80 1.81 -2.77 3.55 0.00 0.08 -4.57 120.51 120.41 3i97 n ALA 137 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 3i97 n ALA 137 Cb 0.14 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.18 0.11 0.22 0.00 -4.23 -1.12 -4.95 115.64 103.48 3i97 s THR 138 Ca -0.09 -0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 59.26 3i97 s THR 138 Cb 0.03 -1.31 0.06 0.00 1.34 0.00 0.00 72.50 72.62 3i97 s THR 138 CO 0.25 -0.48 0.90 -1.66 -0.54 0.00 0.00 174.62 173.10 3i97 s TRP 139 N -3.84 -0.07 -0.13 3.99 -2.14 -1.26 -0.26 118.94 115.21 3i97 s TRP 139 Ca 0.05 -0.33 0.02 0.00 2.66 0.00 0.00 56.10 58.50 3i97 s TRP 139 Cb 0.03 0.69 0.00 0.00 -3.10 0.00 0.00 33.47 31.10 3i97 s TRP 139 CO -0.11 -1.03 -0.20 -2.00 -2.66 0.00 0.00 176.95 170.95 3i97 s GLU 140 N -3.08 3.09 0.00 3.25 2.56 -0.56 -4.78 118.70 119.17 3i97 s GLU 140 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.28 3i97 s GLU 140 Cb -0.03 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.64 3i97 s GLU 140 CO 0.05 0.04 0.00 2.41 -0.56 0.00 0.00 175.26 177.20 3i97 n THR 141 N 3.93 0.00 -3.92 -1.70 -1.04 -1.26 -3.54 114.28 106.74 3i97 n THR 141 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 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 0.61 -0.64 0.00 0.00 175.07 175.04 3i97 n GLY 142 N 0.00 0.50 3.56 3.41 0.00 -1.26 -5.09 105.19 106.30 3i97 n GLY 142 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 3i97 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i97 s ILE 143 N -2.06 5.10 -0.08 -0.61 1.01 -1.26 -3.73 121.20 119.57 3i97 s ILE 143 Ca 0.24 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 3i97 s ILE 143 Cb -0.02 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.60 3i97 s ILE 143 CO 0.03 -0.11 0.21 -0.55 0.00 0.00 0.00 174.94 174.52 3i97 s SER 144 N 1.73 -0.22 0.01 3.58 0.15 -1.26 -4.23 113.70 113.46 3i97 s SER 144 Ca 0.15 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.14 3i97 s SER 144 Cb -0.16 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3i97 s SER 144 CO 0.12 -0.07 0.18 -0.04 1.20 0.00 0.00 173.24 174.63 3i97 s MET 145 N 0.11 0.56 0.01 5.44 -1.94 -0.38 -3.76 119.30 119.35 3i97 s MET 145 Ca -0.00 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 3i97 s MET 145 Cb -0.01 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 37.06 3i97 s MET 145 CO 0.00 -0.15 -0.02 1.03 -0.01 0.00 0.00 175.02 175.88 3i97 s ARG 146 N -1.61 0.17 0.36 2.03 0.52 -1.04 -1.82 118.95 117.56 3i97 s ARG 146 Ca -0.13 -0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 54.80 3i97 s ARG 146 Cb -0.06 -0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.37 3i97 s ARG 146 CO 0.01 0.01 0.58 -0.59 0.02 0.00 0.00 175.30 175.34 3i97 s PHE 147 N -0.44 0.74 -0.14 -0.53 -0.71 0.20 0.63 117.98 117.73 3i97 s PHE 147 Ca -0.04 -1.12 -0.18 0.00 -1.04 0.00 0.00 56.93 54.55 3i97 s PHE 147 Cb -0.03 0.23 0.05 0.00 -1.21 0.00 0.00 43.02 42.06 3i97 s PHE 147 CO -0.00 -1.29 0.48 -2.00 -1.34 0.00 0.00 175.22 171.07 3i97 s GLU 148 N -2.80 0.64 -0.01 1.99 2.56 -0.39 -1.24 118.70 119.45 3i97 s GLU 148 Ca 0.25 0.50 0.00 0.00 0.00 0.00 0.00 54.97 55.72 3i97 s GLU 148 Cb -0.02 0.31 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 3i97 s GLU 148 CO 0.17 -0.11 0.05 0.08 -0.56 0.00 0.00 175.26 174.89 3i97 s VAL 149 N -0.14 4.52 0.04 3.70 1.01 -1.26 -0.56 120.40 127.71 3i97 s VAL 149 Ca -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.58 3i97 s VAL 149 Cb -0.03 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3i97 s VAL 149 CO 0.02 0.38 -0.26 -0.31 0.00 0.00 0.00 175.10 174.93 3i97 s TYR 150 N -1.14 2.34 -1.22 5.22 2.02 0.35 -2.14 117.35 122.78 3i97 s TYR 150 Ca 0.21 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3i97 s TYR 150 Cb -0.12 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 3i97 s TYR 150 CO 0.12 0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3i97 n GLY 151 N 1.76 -0.75 3.71 0.71 0.00 -0.13 -0.81 105.19 109.69 3i97 n GLY 151 Ca -0.17 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.74 3.04 0.13 0.00 1.02 -1.26 -1.30 119.74 117.62 3i97 s LYS 153 Ca 0.08 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 3i97 s LYS 153 Cb -0.04 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.22 3i97 s LYS 153 CO 0.00 -1.04 0.94 0.42 -0.92 0.00 0.00 175.35 174.75 3i97 s ILE 154 N -2.47 4.45 0.00 2.17 1.01 -1.26 -4.70 121.20 120.39 3i97 s ILE 154 Ca 0.64 2.04 0.00 0.00 0.00 0.00 0.00 60.65 63.33 3i97 s ILE 154 Cb -0.18 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.99 3i97 s ILE 154 CO 0.41 0.35 0.00 0.41 0.00 0.00 0.00 174.94 176.11