#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz n SER -2 N 0.00 0.44 -0.07 1.61 2.88 -1.26 -4.93 113.62 112.29 1inz n SER -2 Ca 0.00 0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 57.77 1inz n SER -2 Cb 0.00 0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.36 1inz n SER -2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER -1 N -3.39 0.94 -4.92 -3.46 2.88 -1.26 -5.00 113.62 99.41 1inz n SER -1 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1inz n SER -1 Cb 0.00 1.07 -0.00 0.00 -0.75 0.00 0.00 64.21 64.53 1inz n SER -1 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1inz s ARG 0 N -2.55 2.45 -0.14 -1.46 1.81 -1.26 -5.12 118.95 112.68 1inz s ARG 0 Ca -0.08 -1.65 -0.01 0.00 -1.72 0.00 0.00 55.73 52.28 1inz s ARG 0 Cb 0.06 -2.39 0.04 0.00 -0.45 0.00 0.00 34.95 32.21 1inz s ARG 0 CO 0.69 -0.42 -0.04 -1.64 -0.68 0.00 0.00 175.30 173.20 1inz s MET 1 N -4.28 1.26 0.14 3.54 -1.94 -1.26 -3.42 119.30 113.33 1inz s MET 1 Ca 0.48 -0.35 -0.35 0.00 -1.71 0.00 0.00 55.69 53.76 1inz s MET 1 Cb -0.04 -1.76 -0.16 0.00 2.01 0.00 0.00 34.83 34.88 1inz s MET 1 CO 0.29 -0.39 1.29 0.43 -0.01 0.00 0.00 175.02 176.63 1inz n SER 2 N 4.95 1.73 -0.06 3.03 7.64 -1.26 -4.89 113.62 124.76 1inz n SER 2 Ca -0.11 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.77 1inz n SER 2 Cb 0.49 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 1inz n SER 2 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1inz n THR 3 N 2.15 0.66 -1.57 0.44 -1.04 -1.26 -4.92 114.28 108.73 1inz n THR 3 Ca 0.16 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.62 1inz n THR 3 Cb 0.23 -1.66 -0.04 0.00 -1.82 0.00 0.00 70.33 67.04 1inz n THR 3 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1inz n SER 4 N -3.53 2.73 0.29 8.00 7.64 -1.26 -4.86 113.62 122.64 1inz n SER 4 Ca -0.23 -0.08 -0.12 0.00 1.01 0.00 0.00 58.87 59.45 1inz n SER 4 Cb 0.65 -1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.26 1inz n SER 4 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1inz h SER 5 N 16.72 -0.72 -3.89 6.43 0.02 -2.03 -3.49 113.55 126.60 1inz h SER 5 Ca -0.32 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1inz h SER 5 Cb 1.26 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1inz h SER 5 CO 1.05 -0.48 -0.76 -0.11 -1.14 0.00 0.00 176.83 175.40 1inz n LEU 6 N -4.19 -1.33 0.00 5.07 7.94 -1.26 -5.03 117.00 118.19 1inz n LEU 6 Ca -0.10 2.24 0.00 0.00 -1.11 0.00 0.00 56.01 57.04 1inz n LEU 6 Cb 0.31 -2.24 0.00 0.00 0.53 0.00 0.00 43.42 42.02 1inz n LEU 6 CO 0.23 -0.61 0.00 0.54 -1.11 0.00 0.00 177.39 176.43 1inz n ARG 7 N -2.33 0.00 -4.06 1.96 1.74 -1.26 -5.13 116.66 107.57 1inz n ARG 7 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1inz n ARG 7 Cb 0.37 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.71 1inz n ARG 7 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1inz s ARG 8 N 0.00 0.55 0.38 5.56 1.70 -1.26 -5.17 118.95 120.72 1inz s ARG 8 Ca 0.00 -1.09 0.08 0.00 -0.47 0.00 0.00 55.73 54.25 1inz s ARG 8 Cb 0.00 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1inz s ARG 8 CO 0.00 -0.10 0.18 -1.14 -1.08 0.00 0.00 175.30 173.16 1inz s GLN 9 N -3.41 2.30 0.00 3.89 2.00 -1.26 -5.14 119.66 118.04 1inz s GLN 9 Ca 0.02 -1.70 0.00 0.00 -2.00 0.00 0.00 55.36 51.68 1inz s GLN 9 Cb 0.04 -2.09 0.00 0.00 0.80 0.00 0.00 33.01 31.76 1inz s GLN 9 CO -0.08 -0.03 0.00 -1.33 -0.50 0.00 0.00 175.29 173.35 1inz n MET 10 N -1.22 1.66 0.00 1.67 2.81 -1.26 -5.08 117.12 115.69 1inz n MET 10 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1inz n MET 10 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.14 1inz n MET 10 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1inz n LYS 11 N 0.00 2.43 -2.14 0.03 5.02 -1.26 -5.10 118.16 117.14 1inz n LYS 11 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1inz n LYS 11 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1inz n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1inz n ASN 12 N 0.00 2.07 -4.74 4.39 6.94 -1.26 -5.09 115.26 117.57 1inz n ASN 12 Ca 0.00 -1.11 -0.41 0.00 -0.02 0.00 0.00 54.58 53.03 1inz n ASN 12 Cb 0.00 0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1inz n ASN 12 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1inz s ILE 13 N -1.09 2.97 -0.25 1.53 -1.09 -1.26 -4.94 121.20 117.07 1inz s ILE 13 Ca 0.00 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 58.95 1inz s ILE 13 Cb -0.00 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1inz s ILE 13 CO 0.00 0.13 1.30 -0.69 -1.23 0.00 0.00 174.94 174.45 1inz s VAL 14 N -0.01 4.18 -0.52 2.92 1.01 -1.26 -4.86 120.40 121.86 1inz s VAL 14 Ca 0.57 1.37 0.17 0.00 0.00 0.00 0.00 61.98 64.09 1inz s VAL 14 Cb -0.39 -4.08 0.17 0.00 0.00 0.00 0.00 36.38 32.09 1inz s VAL 14 CO 0.41 -0.34 1.53 0.00 0.00 0.00 0.00 175.10 176.69 1inz n HIS 15 N 7.28 0.53 -3.30 5.22 1.44 -1.26 -3.76 115.22 121.36 1inz n HIS 15 Ca 0.15 0.25 -0.44 0.00 -2.01 0.00 0.00 57.72 55.67 1inz n HIS 15 Cb 0.46 -0.90 -0.00 0.00 0.12 0.00 0.00 29.99 29.66 1inz n HIS 15 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1inz n ASN 16 N -2.02 5.58 -4.37 4.39 5.15 -1.26 -5.01 115.26 117.72 1inz n ASN 16 Ca 0.00 -3.13 -0.54 0.00 -0.60 0.00 0.00 54.58 50.32 1inz n ASN 16 Cb 0.09 -1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 37.93 1inz n ASN 16 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1inz n TYR 17 N 2.35 1.34 -3.14 1.20 4.02 -1.25 -4.82 117.16 116.86 1inz n TYR 17 Ca 0.24 0.49 -0.20 0.00 -0.01 0.00 0.00 57.90 58.42 1inz n TYR 17 Cb 0.38 -2.42 -0.04 0.00 -0.02 0.00 0.00 39.34 37.23 1inz n TYR 17 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1inz n SER 18 N 9.03 0.07 -0.11 7.72 2.88 -1.26 -4.76 113.62 127.20 1inz n SER 18 Ca 0.49 -2.88 0.08 0.00 -1.33 0.00 0.00 58.87 55.23 1inz n SER 18 Cb 0.11 -0.36 0.12 0.00 -0.75 0.00 0.00 64.21 63.33 1inz n SER 18 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1inz n GLU 19 N 1.01 1.23 0.06 -1.46 0.28 -1.26 -4.77 120.64 115.73 1inz n GLU 19 Ca 0.21 -2.34 -0.13 0.00 -0.16 0.00 0.00 57.16 54.74 1inz n GLU 19 Cb 0.59 -1.36 -0.09 0.00 1.43 0.00 0.00 31.44 32.01 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1inz h ALA 20 N 0.00 -0.18 -1.53 -1.84 0.00 -1.90 -2.92 119.26 110.88 1inz h ALA 20 Ca 0.00 -0.20 0.49 0.00 0.00 0.00 0.00 54.91 55.20 1inz h ALA 20 Cb 1.01 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1inz h ALA 20 CO 0.00 -0.39 1.04 1.05 0.00 0.00 0.00 179.25 180.94 1inz h GLU 21 N -0.60 0.03 0.10 0.00 4.11 -1.86 0.81 114.58 117.17 1inz h GLU 21 Ca -0.02 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.16 1inz h GLU 21 Cb 0.46 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.73 1inz h GLU 21 CO 0.03 0.02 -1.03 0.82 0.07 0.00 0.00 179.01 178.92 1inz h ILE 22 N 0.03 1.36 0.81 -1.06 1.08 -1.89 -3.10 117.51 114.74 1inz h ILE 22 Ca 0.87 -2.40 -0.04 0.00 -0.39 0.00 0.00 64.86 62.90 1inz h ILE 22 Cb 3.02 2.78 0.01 0.00 -3.07 0.00 0.00 36.82 39.56 1inz h ILE 22 CO -0.30 0.71 -0.39 0.50 -0.69 0.00 0.00 178.15 177.98 1inz h LYS 23 N 0.06 -1.05 -0.59 2.37 1.63 0.76 -2.01 116.57 117.74 1inz h LYS 23 Ca -0.16 0.07 0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1inz h LYS 23 Cb 1.74 0.24 -0.11 0.00 -0.60 0.00 0.00 32.23 33.50 1inz h LYS 23 CO 0.20 -0.69 -0.38 0.28 -3.45 0.00 0.00 179.45 175.41 1inz h VAL 24 N -1.17 0.13 0.19 2.00 2.07 -1.34 0.23 116.25 118.36 1inz h VAL 24 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1inz h VAL 24 Cb 0.85 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1inz h VAL 24 CO 0.18 0.00 -0.35 -0.09 0.02 0.00 0.00 177.57 177.33 1inz h ARG 25 N -0.19 -0.56 0.00 1.57 2.43 -1.48 0.59 114.38 116.74 1inz h ARG 25 Ca 0.21 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1inz h ARG 25 Cb 0.56 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1inz h ARG 25 CO -0.68 -0.37 0.07 -1.91 -1.51 0.00 0.00 179.97 175.57 1inz n GLU 26 N -4.46 0.11 0.03 0.20 4.07 -0.76 -1.19 120.64 118.62 1inz n GLU 26 Ca -0.07 0.59 -0.13 0.00 -0.06 0.00 0.00 57.16 57.50 1inz n GLU 26 Cb 0.29 -1.92 -0.14 0.00 -0.06 0.00 0.00 31.44 29.61 1inz n GLU 26 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1inz h ALA 27 N 1.79 0.48 -0.35 4.31 0.00 0.16 -3.31 119.26 122.34 1inz h ALA 27 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1inz h ALA 27 Cb 0.15 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1inz h ALA 27 CO 0.00 1.34 0.00 0.25 0.00 0.00 0.00 179.25 180.84 1inz n THR 28 N -3.30 1.49 0.00 0.00 -2.24 -0.32 -4.74 114.28 105.17 1inz n THR 28 Ca -0.16 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1inz n THR 28 Cb 1.03 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1inz n THR 28 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 29 N 0.42 0.00 -2.01 3.42 2.88 -1.14 -4.62 113.62 112.57 1inz n SER 29 Ca 0.16 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.45 1inz n SER 29 Cb 0.75 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.30 1inz n SER 29 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1inz n ASN 30 N 0.00 5.51 -0.20 -3.46 2.85 -1.26 -4.52 115.26 114.18 1inz n ASN 30 Ca 0.00 -3.77 -0.12 0.00 -0.11 0.00 0.00 54.58 50.59 1inz n ASN 30 Cb 0.00 -0.69 -0.09 0.00 1.24 0.00 0.00 39.78 40.24 1inz n ASN 30 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1inz h ASP 31 N 1.80 -1.77 -0.41 1.20 5.19 -1.96 -3.41 116.42 117.06 1inz h ASP 31 Ca 0.46 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 57.11 1inz h ASP 31 Cb 1.37 0.74 0.00 0.00 0.18 0.00 0.00 39.33 41.63 1inz h ASP 31 CO 1.06 -0.32 0.00 -0.81 -3.12 0.00 0.00 179.24 176.04 1inz n PRO 32 N -5.10 0.37 -0.72 3.56 -0.04 -1.26 -5.08 135.00 126.72 1inz n PRO 32 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1inz n PRO 32 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1inz n PRO 32 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1inz n TRP 33 N -1.17 -0.50 -0.21 0.54 7.02 -1.26 -5.12 117.44 116.74 1inz n TRP 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1inz n TRP 33 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1inz n GLY 34 N 5.00 0.88 3.76 6.99 0.00 -1.26 -5.09 105.19 115.48 1inz n GLY 34 Ca 0.00 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1inz n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1inz s PRO 35 N -2.00 3.68 -0.49 1.61 0.04 -1.26 -4.98 135.00 131.61 1inz s PRO 35 Ca 0.00 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.31 1inz s PRO 35 Cb 0.00 -2.57 0.34 0.00 0.04 0.00 0.00 34.50 32.31 1inz s PRO 35 CO 0.00 -0.74 0.83 0.45 0.04 0.00 0.00 177.00 177.58 1inz n SER 36 N -0.30 2.72 0.00 6.66 2.88 -1.26 -4.92 113.62 119.40 1inz n SER 36 Ca 0.06 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1inz n SER 36 Cb 0.44 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1inz n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1inz n SER 37 N 0.09 0.00 -2.73 -3.46 3.41 -1.26 -5.00 113.62 104.67 1inz n SER 37 Ca 0.28 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.82 1inz n SER 37 Cb 0.51 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1inz n SER 37 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1inz n SER 38 N -2.34 -2.44 -0.23 4.04 2.88 -1.26 -5.01 113.62 109.26 1inz n SER 38 Ca 0.00 -3.07 -0.02 0.00 -1.33 0.00 0.00 58.87 54.45 1inz n SER 38 Cb 0.00 1.64 0.09 0.00 -0.75 0.00 0.00 64.21 65.19 1inz n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1inz h LEU 39 N 3.55 0.59 -0.62 2.46 5.85 -1.94 -2.07 115.31 123.13 1inz h LEU 39 Ca -0.16 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1inz h LEU 39 Cb 1.08 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1inz h LEU 39 CO 0.19 0.39 0.29 -0.03 -0.34 0.00 0.00 178.44 178.94 1inz h MET 40 N 0.73 0.50 -0.03 1.25 4.05 -1.94 0.25 114.93 119.74 1inz h MET 40 Ca 0.29 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1inz h MET 40 Cb 0.14 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1inz h MET 40 CO -0.16 0.33 0.02 1.03 0.23 0.00 0.00 176.91 178.36 1inz h SER 41 N 0.52 0.00 0.10 1.39 0.87 -1.79 -2.62 113.55 112.01 1inz h SER 41 Ca 0.30 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1inz h SER 41 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1inz h SER 41 CO -0.25 0.00 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.67 1inz h GLU 42 N 0.00 -0.13 -0.81 2.24 4.39 -0.69 -2.24 114.58 117.33 1inz h GLU 42 Ca 0.01 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.87 1inz h GLU 42 Cb 0.05 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 1inz h GLU 42 CO -0.00 0.33 0.54 0.82 -1.16 0.00 0.00 179.01 179.53 1inz h ILE 43 N -0.66 0.81 0.14 3.13 2.04 -1.14 -1.67 117.51 120.16 1inz h ILE 43 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1inz h ILE 43 Cb 0.52 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1inz h ILE 43 CO 0.02 0.10 -0.07 0.00 0.00 0.00 0.00 178.15 178.20 1inz h ALA 44 N 1.62 -0.19 -0.01 1.87 0.00 -1.41 -2.02 119.26 119.12 1inz h ALA 44 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1inz h ALA 44 Cb 0.79 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1inz h ALA 44 CO -0.16 -0.41 0.31 0.22 0.00 0.00 0.00 179.25 179.21 1inz h ASP 45 N -0.57 0.00 0.35 0.00 3.58 -0.71 0.16 116.42 119.22 1inz h ASP 45 Ca -0.02 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.11 1inz h ASP 45 Cb 0.44 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1inz h ASP 45 CO 0.03 0.00 -1.54 -0.07 -2.88 0.00 0.00 179.24 174.78 1inz h LEU 46 N 0.00 0.60 -0.86 2.28 3.38 -0.76 -3.31 115.31 116.64 1inz h LEU 46 Ca 0.01 -0.75 0.15 0.00 0.09 0.00 0.00 57.88 57.38 1inz h LEU 46 Cb 0.62 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 1inz h LEU 46 CO -0.00 1.61 0.44 0.71 0.09 0.00 0.00 178.44 181.29 1inz h THR 47 N 0.11 0.71 -0.92 0.22 1.35 0.00 0.94 112.91 115.32 1inz h THR 47 Ca -0.26 -0.21 0.26 0.00 -0.55 0.00 0.00 66.41 65.65 1inz h THR 47 Cb 2.08 0.05 -0.16 0.00 -1.73 0.00 0.00 68.15 68.39 1inz h THR 47 CO 0.21 0.11 0.21 1.88 -0.25 0.00 0.00 175.52 177.68 1inz h TYR 48 N 0.61 0.30 0.00 4.73 0.05 -1.63 -3.39 116.97 117.63 1inz h TYR 48 Ca 0.47 0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.31 1inz h TYR 48 Cb 0.69 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1inz h TYR 48 CO -0.09 -0.30 0.00 -1.71 -1.05 0.00 0.00 178.16 175.01 1inz n ASN 49 N -5.30 0.00 0.00 3.88 2.85 0.33 -5.00 115.26 112.02 1inz n ASN 49 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1inz n ASN 49 Cb 0.76 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.78 1inz n ASN 49 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1inz n VAL 50 N -0.62 0.00 0.00 3.44 0.31 -1.26 -4.71 118.33 115.48 1inz n VAL 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1inz n VAL 50 Cb 0.00 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1inz n VAL 50 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1inz n VAL 51 N -1.85 0.00 -0.29 2.52 0.31 -1.26 -3.89 118.33 113.87 1inz n VAL 51 Ca 0.00 0.40 0.27 0.00 -0.01 0.00 0.00 64.34 65.00 1inz n VAL 51 Cb 0.35 -1.26 0.50 0.00 -0.91 0.00 0.00 33.84 32.52 1inz n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1inz n ALA 52 N -1.85 0.87 0.15 3.52 0.00 -1.26 0.10 120.51 122.04 1inz n ALA 52 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 53.44 54.22 1inz n ALA 52 Cb 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 1inz n ALA 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1inz h PHE 53 N 0.00 -0.97 -0.56 0.00 3.57 -1.73 0.25 116.94 117.49 1inz h PHE 53 Ca 0.74 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.29 1inz h PHE 53 Cb 1.91 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 41.02 1inz h PHE 53 CO -0.06 -0.47 0.37 0.77 -2.23 0.00 0.00 178.31 176.68 1inz h SER 54 N -0.64 0.55 1.46 0.41 0.02 -0.46 0.14 113.55 115.04 1inz h SER 54 Ca 0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1inz h SER 54 Cb 0.63 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1inz h SER 54 CO -0.16 0.38 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.58 1inz h GLU 55 N 0.64 0.00 0.00 3.45 5.08 -0.72 -2.50 114.58 120.53 1inz h GLU 55 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1inz h GLU 55 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1inz h GLU 55 CO -0.06 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.06 1inz n ILE 56 N -3.10 0.00 -0.27 3.13 5.41 0.77 -3.07 119.36 122.24 1inz n ILE 56 Ca 0.02 0.50 0.17 0.00 1.00 0.00 0.00 62.75 64.44 1inz n ILE 56 Cb 0.41 -1.49 0.47 0.00 -0.71 0.00 0.00 39.64 38.31 1inz n ILE 56 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1inz h MET 57 N 0.00 0.48 0.53 0.38 2.86 -1.58 -1.23 114.93 116.37 1inz h MET 57 Ca 0.00 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1inz h MET 57 Cb 0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1inz h MET 57 CO 0.00 0.32 -0.37 0.77 1.06 0.00 0.00 176.91 178.69 1inz h SER 58 N 0.50 -0.96 -0.10 1.22 0.02 -1.59 0.19 113.55 112.82 1inz h SER 58 Ca 0.49 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.53 1inz h SER 58 Cb 1.09 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1inz h SER 58 CO -0.22 -0.54 0.12 0.24 -1.14 0.00 0.00 176.83 175.29 1inz h MET 59 N -0.85 0.00 -0.03 3.45 2.07 -1.34 0.23 114.93 118.46 1inz h MET 59 Ca -0.07 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.41 1inz h MET 59 Cb 0.70 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.41 1inz h MET 59 CO 0.04 0.00 -0.65 0.82 1.07 0.00 0.00 176.91 178.19 1inz h ILE 60 N 0.00 1.44 -0.19 -1.22 2.04 -0.33 -2.95 117.51 116.30 1inz h ILE 60 Ca 0.05 -2.17 -0.21 0.00 1.00 0.00 0.00 64.86 63.53 1inz h ILE 60 Cb 0.29 2.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1inz h ILE 60 CO -0.00 0.63 -0.72 -0.50 0.00 0.00 0.00 178.15 177.56 1inz h TRP 61 N 0.08 1.08 0.78 1.37 -0.00 0.11 -2.35 115.95 117.01 1inz h TRP 61 Ca -0.01 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.89 58.39 1inz h TRP 61 Cb 1.17 -0.18 0.01 0.00 -0.00 0.00 0.00 29.16 30.16 1inz h TRP 61 CO 0.01 1.29 -0.37 0.87 -0.00 0.00 0.00 178.44 180.23 1inz h LYS 62 N 0.57 -1.01 0.00 0.49 1.57 -1.49 -2.32 116.57 114.39 1inz h LYS 62 Ca -0.04 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1inz h LYS 62 Cb 1.35 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1inz h LYS 62 CO 0.15 -0.66 0.00 0.54 -0.57 0.00 0.00 179.45 178.92 1inz n ARG 63 N -5.49 0.06 0.14 3.15 5.12 -1.12 -1.52 116.66 117.00 1inz n ARG 63 Ca -0.14 0.47 0.03 0.00 -1.93 0.00 0.00 57.85 56.27 1inz n ARG 63 Cb 0.42 -1.66 0.02 0.00 -1.16 0.00 0.00 32.46 30.09 1inz n ARG 63 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1inz h LEU 64 N 0.00 0.00 -4.07 0.55 3.38 -0.86 -2.90 115.31 111.41 1inz h LEU 64 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1inz h LEU 64 Cb 0.11 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.49 1inz h LEU 64 CO 0.00 0.50 -0.05 -3.20 0.09 0.00 0.00 178.44 175.78 1inz n ASN 65 N -3.22 6.09 -3.01 -0.43 2.85 -0.58 -4.73 115.26 112.23 1inz n ASN 65 Ca 0.02 -3.77 0.00 0.00 -0.11 0.00 0.00 54.58 50.72 1inz n ASN 65 Cb 0.73 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 41.11 1inz n ASN 65 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1inz n ASP 66 N -0.73 -1.17 -3.93 1.20 2.03 -1.24 -4.99 116.55 107.72 1inz n ASP 66 Ca 0.51 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.59 1inz n ASP 66 Cb 0.75 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.29 1inz n ASP 66 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1inz n HIS 67 N -2.50 -3.48 -1.73 -0.67 8.25 -1.26 -4.95 115.22 108.87 1inz n HIS 67 Ca 0.00 -1.28 -0.33 0.00 -0.26 0.00 0.00 57.72 55.85 1inz n HIS 67 Cb 0.00 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.32 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1inz n GLY 68 N -2.06 4.77 0.00 -1.41 0.00 -1.26 -4.03 105.19 101.21 1inz n GLY 68 Ca 0.14 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1inz n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 69 N 1.11 0.00 -3.49 1.61 3.00 -1.26 -4.35 118.16 114.77 1inz n LYS 69 Ca 0.54 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.58 1inz n LYS 69 Cb 0.42 -0.38 -0.10 0.00 0.00 0.00 0.00 35.03 34.97 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1inz n ASN 70 N -1.22 0.28 0.00 3.14 4.13 -1.26 -4.93 115.26 115.41 1inz n ASN 70 Ca 0.00 -2.56 0.09 0.00 1.68 0.00 0.00 54.58 53.79 1inz n ASN 70 Cb 0.00 -0.60 0.49 0.00 -1.54 0.00 0.00 39.78 38.13 1inz n ASN 70 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1inz n TRP 71 N 2.62 0.00 -0.26 3.10 4.27 -1.26 -3.57 117.44 122.33 1inz n TRP 71 Ca 0.28 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.96 1inz n TRP 71 Cb 0.45 -0.15 0.21 0.00 -1.36 0.00 0.00 31.31 30.46 1inz n TRP 71 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1inz h ARG 72 N 0.00 0.24 -0.59 -2.67 2.43 -1.96 0.41 114.38 112.24 1inz h ARG 72 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1inz h ARG 72 Cb 0.08 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1inz h ARG 72 CO 0.00 0.16 0.30 0.45 -1.51 0.00 0.00 179.97 179.37 1inz h HIS 73 N 0.25 0.82 0.62 2.20 3.86 -1.83 -2.46 115.15 118.62 1inz h HIS 73 Ca 0.45 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 1inz h HIS 73 Cb 0.80 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 29.02 1inz h HIS 73 CO -0.27 0.59 -0.30 0.28 0.86 0.00 0.00 177.93 179.09 1inz h VAL 74 N 0.83 0.31 -0.58 2.45 2.07 0.00 -0.43 116.25 120.91 1inz h VAL 74 Ca 0.21 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1inz h VAL 74 Cb 0.07 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 1inz h VAL 74 CO -0.03 0.03 -0.07 0.22 0.02 0.00 0.00 177.57 177.74 1inz h TYR 75 N -0.99 -0.17 -0.16 1.57 3.20 -1.19 0.42 116.97 119.65 1inz h TYR 75 Ca -0.09 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1inz h TYR 75 Cb 0.69 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1inz h TYR 75 CO -0.01 -0.20 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.09 1inz h LYS 76 N 0.06 0.23 0.00 1.82 1.63 -1.35 -1.27 116.57 117.69 1inz h LYS 76 Ca 0.29 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1inz h LYS 76 Cb 0.46 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1inz h LYS 76 CO -0.55 0.26 -0.40 0.00 -3.45 0.00 0.00 179.45 175.31 1inz h ALA 77 N 1.78 1.14 -0.01 5.00 0.00 0.15 -2.79 119.26 124.52 1inz h ALA 77 Ca 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1inz h ALA 77 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1inz h ALA 77 CO 0.00 0.50 -0.68 0.52 0.00 0.00 0.00 179.25 179.60 1inz h MET 78 N 0.00 0.07 -0.22 0.00 2.86 0.05 -1.91 114.93 115.78 1inz h MET 78 Ca -0.00 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 1inz h MET 78 Cb 0.81 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1inz h MET 78 CO 0.05 0.72 -0.51 1.15 1.06 0.00 0.00 176.91 179.38 1inz h THR 79 N 0.05 1.31 0.01 2.22 2.02 -1.29 -0.61 112.91 116.62 1inz h THR 79 Ca -0.01 -1.73 -0.20 0.00 0.77 0.00 0.00 66.41 65.24 1inz h THR 79 Cb 1.20 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1inz h THR 79 CO 0.09 0.54 -0.90 0.25 0.37 0.00 0.00 175.52 175.88 1inz h LEU 80 N 0.47 0.13 -0.36 2.58 5.85 -1.47 -1.31 115.31 121.19 1inz h LEU 80 Ca 0.02 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 1inz h LEU 80 Cb 1.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1inz h LEU 80 CO 0.10 0.96 -0.68 -0.03 -0.34 0.00 0.00 178.44 178.45 1inz h MET 81 N 0.05 0.00 0.09 1.25 4.05 -1.24 -2.43 114.93 116.71 1inz h MET 81 Ca -0.03 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.09 1inz h MET 81 Cb 1.56 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 1inz h MET 81 CO 0.13 0.68 -1.56 1.49 0.23 0.00 0.00 176.91 177.87 1inz h GLU 82 N 0.00 0.20 -0.16 0.39 4.81 -1.08 -2.96 114.58 115.78 1inz h GLU 82 Ca -0.01 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1inz h GLU 82 Cb 1.36 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 1inz h GLU 82 CO 0.09 1.03 -0.22 -0.92 -0.73 0.00 0.00 179.01 178.26 1inz h TYR 83 N 0.05 0.53 -0.51 0.92 5.03 -1.28 -3.14 116.97 118.56 1inz h TYR 83 Ca -0.25 -0.17 -0.12 0.00 2.58 0.00 0.00 58.73 60.77 1inz h TYR 83 Cb 2.00 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 40.16 1inz h TYR 83 CO 0.05 0.85 -0.13 -0.07 -1.32 0.00 0.00 178.16 177.54 1inz h LEU 84 N 0.06 1.01 -2.48 2.82 3.38 -1.58 -2.29 115.31 116.22 1inz h LEU 84 Ca 0.02 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1inz h LEU 84 Cb 0.78 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1inz h LEU 84 CO 0.05 1.14 0.17 0.40 0.09 0.00 0.00 178.44 180.28 1inz h ILE 85 N 0.86 0.06 0.00 1.22 2.04 -1.53 0.42 117.51 120.58 1inz h ILE 85 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1inz h ILE 85 Cb 0.70 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1inz h ILE 85 CO 0.05 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.49 1inz n LYS 86 N -3.09 0.00 0.15 2.37 5.02 -0.91 -4.38 118.16 117.33 1inz n LYS 86 Ca -0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 1inz n LYS 86 Cb 0.23 -0.05 0.15 0.00 -0.02 0.00 0.00 35.03 35.34 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz h THR 87 N 0.00 0.94 -0.02 -0.18 1.03 -1.54 -3.34 112.91 109.80 1inz h THR 87 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 66.41 64.38 1inz h THR 87 Cb 0.00 2.25 -0.00 0.00 -1.07 0.00 0.00 68.15 69.32 1inz h THR 87 CO 0.00 0.48 -0.02 1.23 -0.01 0.00 0.00 175.52 177.20 1inz h GLY 88 N 2.83 -2.12 0.00 2.99 0.00 -0.09 -3.45 103.07 103.23 1inz h GLY 88 Ca -0.00 0.92 0.00 0.00 0.00 0.00 0.00 47.33 48.25 1inz h GLY 88 CO 0.06 -0.80 0.00 -1.26 0.00 0.00 0.00 176.54 174.55 1inz n SER 89 N -2.90 0.00 0.12 0.19 2.88 -0.84 -3.84 113.62 109.23 1inz n SER 89 Ca -0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1inz n SER 89 Cb 0.01 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.87 1inz n SER 89 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1inz h GLU 90 N 0.00 0.00 0.00 -1.46 4.39 -1.89 -3.19 114.58 112.43 1inz h GLU 90 Ca 0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 1inz h GLU 90 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1inz h GLU 90 CO 0.00 0.00 -1.07 0.07 -1.16 0.00 0.00 179.01 176.85 1inz h ARG 91 N 0.00 0.00 -0.05 2.33 0.11 -1.94 -3.00 114.38 111.84 1inz h ARG 91 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 1inz h ARG 91 Cb 0.73 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 1inz h ARG 91 CO 0.00 0.74 -0.45 0.28 0.10 0.00 0.00 179.97 180.64 1inz h VAL 92 N 0.00 1.33 0.11 0.08 2.07 -1.86 -2.47 116.25 115.51 1inz h VAL 92 Ca -0.07 -1.58 -0.27 0.00 0.82 0.00 0.00 66.70 65.60 1inz h VAL 92 Cb 1.72 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1inz h VAL 92 CO 0.10 0.46 -1.19 0.28 0.02 0.00 0.00 177.57 177.24 1inz h SER 93 N 0.10 0.51 -0.75 0.57 0.02 -1.65 -3.02 113.55 109.33 1inz h SER 93 Ca 0.01 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1inz h SER 93 Cb 0.83 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1inz h SER 93 CO 0.06 1.37 0.35 1.56 -1.14 0.00 0.00 176.83 179.03 1inz h GLN 94 N 0.13 1.09 -0.39 3.45 1.08 -1.37 -2.10 115.11 117.01 1inz h GLN 94 Ca -0.13 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 56.83 1inz h GLN 94 Cb 1.88 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 29.10 1inz h GLN 94 CO 0.20 0.86 -0.05 0.37 -0.95 0.00 0.00 178.83 179.26 1inz h GLN 95 N 1.06 0.64 -0.98 1.46 5.75 -1.50 -2.09 115.11 119.46 1inz h GLN 95 Ca 0.26 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1inz h GLN 95 Cb 0.14 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 1inz h GLN 95 CO -0.03 0.70 0.64 0.00 -2.65 0.00 0.00 178.83 177.49 1inz h LYS 97 N 1.33 0.27 0.00 0.00 3.64 -1.06 -1.16 116.57 119.59 1inz h LYS 97 Ca 0.36 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1inz h LYS 97 Cb -0.14 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1inz h LYS 97 CO -0.08 0.76 0.00 0.93 -2.27 0.00 0.00 179.45 178.80 1inz h GLU 98 N 0.21 0.00 -0.54 1.90 4.39 -0.65 -3.25 114.58 116.63 1inz h GLU 98 Ca -0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 1inz h GLU 98 Cb 1.06 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.35 1inz h GLU 98 CO 0.09 0.00 -0.83 -1.71 -1.16 0.00 0.00 179.01 175.40 1inz n ASN 99 N -2.74 3.65 0.27 1.42 2.85 0.51 -4.80 115.26 116.42 1inz n ASN 99 Ca 0.04 -3.39 0.09 0.00 -0.11 0.00 0.00 54.58 51.21 1inz n ASN 99 Cb 0.45 -0.39 0.69 0.00 1.24 0.00 0.00 39.78 41.76 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1inz h MET 100 N 2.02 0.00 0.00 1.20 4.05 -1.26 -0.66 114.93 120.28 1inz h MET 100 Ca 0.19 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1inz h MET 100 Cb 1.42 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.22 1inz h MET 100 CO 0.51 0.01 -0.20 1.88 0.23 0.00 0.00 176.91 179.34 1inz h TYR 101 N 0.00 0.00 -0.01 1.39 0.05 -1.87 -0.91 116.97 115.62 1inz h TYR 101 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1inz h TYR 101 Cb 0.02 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.77 1inz h TYR 101 CO 0.00 0.20 -0.74 0.00 -1.05 0.00 0.00 178.16 176.57 1inz h ALA 102 N 1.80 0.10 0.00 3.88 0.00 -1.50 -1.25 119.26 122.29 1inz h ALA 102 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1inz h ALA 102 Cb 0.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1inz h ALA 102 CO 0.03 0.46 -0.39 0.28 0.00 0.00 0.00 179.25 179.63 1inz h VAL 103 N 0.08 0.93 0.00 0.00 2.07 -1.39 -3.05 116.25 114.89 1inz h VAL 103 Ca -0.09 -1.52 -0.19 0.00 0.82 0.00 0.00 66.70 65.71 1inz h VAL 103 Cb 1.43 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1inz h VAL 103 CO 0.15 0.38 -1.18 1.56 0.02 0.00 0.00 177.57 178.50 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.18 -3.28 115.11 113.30 1inz h GLN 104 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1inz h GLN 104 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1inz h GLN 104 CO 0.05 0.57 0.15 0.00 -0.95 0.00 0.00 178.83 178.64 1inz h THR 105 N 0.00 0.00 0.24 -0.54 1.03 -1.10 -0.72 112.91 111.81 1inz h THR 105 Ca -0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 65.97 1inz h THR 105 Cb 1.69 0.58 0.04 0.00 -1.07 0.00 0.00 68.15 69.39 1inz h THR 105 CO 0.08 0.00 -1.39 -0.07 -0.01 0.00 0.00 175.52 174.13 1inz h LEU 106 N 0.00 0.79 -1.93 0.00 3.38 -1.69 -2.19 115.31 113.67 1inz h LEU 106 Ca 0.00 -0.93 0.27 0.00 0.09 0.00 0.00 57.88 57.31 1inz h LEU 106 Cb 0.29 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1inz h LEU 106 CO 0.00 1.67 0.68 0.50 0.09 0.00 0.00 178.44 181.38 1inz h LYS 107 N 0.06 0.05 0.00 1.13 3.64 -1.29 0.20 116.57 120.36 1inz h LYS 107 Ca -0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1inz h LYS 107 Cb 2.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1inz h LYS 107 CO 0.26 0.03 -1.80 -0.40 -2.27 0.00 0.00 179.45 175.27 1inz n ASP 108 N -4.29 0.17 -4.56 4.20 5.68 -1.23 -4.82 116.55 111.71 1inz n ASP 108 Ca 0.20 -0.03 -0.14 0.00 -0.50 0.00 0.00 54.79 54.32 1inz n ASP 108 Cb 0.99 1.73 -0.08 0.00 -1.14 0.00 0.00 41.12 42.63 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1inz n PHE 109 N -2.25 1.12 -4.39 2.11 7.35 0.69 -4.87 117.46 117.21 1inz n PHE 109 Ca -0.03 -0.02 -0.29 0.00 -0.76 0.00 0.00 57.45 56.35 1inz n PHE 109 Cb 0.55 -2.53 -0.17 0.00 0.35 0.00 0.00 39.48 37.69 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1inz s GLN 110 N 8.83 2.30 -0.18 -4.13 -2.07 -1.26 -4.86 119.66 118.29 1inz s GLN 110 Ca 0.95 -0.58 -0.15 0.00 -1.82 0.00 0.00 55.36 53.76 1inz s GLN 110 Cb -0.17 -1.97 0.05 0.00 -1.09 0.00 0.00 33.01 29.83 1inz s GLN 110 CO 0.11 -0.09 0.46 -0.47 -1.32 0.00 0.00 175.29 173.98 1inz s TYR 111 N 1.07 -0.55 -0.27 9.60 6.14 -1.26 -5.05 117.35 127.02 1inz s TYR 111 Ca -0.04 1.30 0.21 0.00 0.64 0.00 0.00 57.07 59.18 1inz s TYR 111 Cb -0.15 0.21 0.50 0.00 0.42 0.00 0.00 41.96 42.95 1inz s TYR 111 CO -0.03 -0.28 1.10 0.28 0.64 0.00 0.00 175.55 177.26 1inz n VAL 112 N 3.19 1.35 -1.31 3.14 0.31 -1.26 -4.82 118.33 118.93 1inz n VAL 112 Ca -0.16 -3.03 0.16 0.00 -0.01 0.00 0.00 64.34 61.30 1inz n VAL 112 Cb 0.57 1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 34.52 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1inz n ASP 113 N -0.57 -7.51 -0.30 4.52 8.00 -1.26 -2.06 116.55 117.37 1inz n ASP 113 Ca 0.10 0.80 0.13 0.00 0.71 0.00 0.00 54.79 56.53 1inz n ASP 113 Cb 0.81 -4.18 0.30 0.00 -0.02 0.00 0.00 41.12 38.03 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1inz h ARG 114 N -1.31 0.37 -1.62 -1.24 0.11 -2.00 -3.37 114.38 105.33 1inz h ARG 114 Ca -0.05 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.85 1inz h ARG 114 Cb 1.32 -0.08 -0.28 0.00 1.11 0.00 0.00 29.97 32.04 1inz h ARG 114 CO 0.03 0.24 -0.51 0.34 0.10 0.00 0.00 179.97 180.18 1inz s ASP 115 N -5.17 0.13 0.00 0.08 2.15 -1.25 -5.14 116.67 107.47 1inz s ASP 115 Ca -0.12 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.59 1inz s ASP 115 Cb 0.25 1.23 0.00 0.00 -0.30 0.00 0.00 42.92 44.10 1inz s ASP 115 CO 0.78 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1inz n GLY 116 N 5.36 5.16 3.60 2.66 0.00 -0.87 -5.14 105.19 115.97 1inz n GLY 116 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1inz n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1inz s LYS 117 N 2.15 2.24 -1.16 1.61 3.01 -1.26 -5.04 119.74 121.28 1inz s LYS 117 Ca 0.00 -0.97 -0.20 0.00 -1.01 0.00 0.00 55.97 53.79 1inz s LYS 117 Cb 0.00 -2.37 0.07 0.00 -1.01 0.00 0.00 37.83 34.53 1inz s LYS 117 CO 0.00 0.52 1.56 0.34 0.51 0.00 0.00 175.35 178.28 1inz s ASP 118 N -2.21 6.71 -0.10 2.83 -1.08 -1.26 -4.65 116.67 116.91 1inz s ASP 118 Ca 0.22 -2.06 0.14 0.00 -0.52 0.00 0.00 52.55 50.33 1inz s ASP 118 Cb -0.11 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.06 1inz s ASP 118 CO 0.15 -1.27 1.16 0.00 0.52 0.00 0.00 175.17 175.73 1inz n GLN 119 N 8.29 1.98 -1.09 4.34 10.64 -1.26 -4.65 117.38 135.63 1inz n GLN 119 Ca 0.40 -2.35 -0.22 0.00 -1.83 0.00 0.00 57.00 53.00 1inz n GLN 119 Cb 0.48 -1.43 0.14 0.00 -0.86 0.00 0.00 30.24 28.57 1inz n GLN 119 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1inz n GLY 120 N -1.00 4.37 0.12 2.61 0.00 -1.26 -4.38 105.19 105.66 1inz n GLY 120 Ca 0.13 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1inz n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1inz h VAL 121 N 0.89 0.84 -1.16 1.61 3.04 -1.96 -3.21 116.25 116.30 1inz h VAL 121 Ca 0.55 -2.29 0.36 0.00 -1.01 0.00 0.00 66.70 64.31 1inz h VAL 121 Cb 2.34 2.45 -0.13 0.00 -2.01 0.00 0.00 31.29 33.94 1inz h VAL 121 CO 1.03 0.62 0.73 0.78 -1.01 0.00 0.00 177.57 179.72 1inz h ASN 122 N -0.44 0.36 0.39 3.17 4.21 -1.97 0.50 115.58 121.80 1inz h ASN 122 Ca -0.36 0.14 -0.31 0.00 1.21 0.00 0.00 56.30 56.98 1inz h ASN 122 Cb 1.68 0.10 0.03 0.00 -1.12 0.00 0.00 38.32 39.01 1inz h ASN 122 CO -0.04 -0.11 -1.37 1.62 -1.29 0.00 0.00 177.43 176.24 1inz h VAL 123 N 0.22 1.37 0.16 2.81 3.04 -1.88 -2.80 116.25 119.16 1inz h VAL 123 Ca 0.74 -2.81 0.02 0.00 -1.01 0.00 0.00 66.70 63.63 1inz h VAL 123 Cb 2.07 2.97 -0.03 0.00 -2.01 0.00 0.00 31.29 34.29 1inz h VAL 123 CO -0.45 0.84 -0.31 -0.09 -1.01 0.00 0.00 177.57 176.55 1inz h ARG 124 N 0.13 -0.53 0.00 4.17 2.43 -0.03 -1.76 114.38 118.79 1inz h ARG 124 Ca -0.20 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 1inz h ARG 124 Cb 2.07 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.73 1inz h ARG 124 CO 0.25 -0.35 -0.34 0.93 -1.51 0.00 0.00 179.97 178.94 1inz h GLU 125 N -0.55 0.00 0.87 0.20 5.08 -1.49 -2.93 114.58 115.76 1inz h GLU 125 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1inz h GLU 125 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1inz h GLU 125 CO -0.16 0.34 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.56 1inz h LYS 126 N 0.00 -1.13 -0.81 2.33 1.63 -1.06 -1.02 116.57 116.51 1inz h LYS 126 Ca -0.00 0.08 0.10 0.00 -0.85 0.00 0.00 60.65 59.97 1inz h LYS 126 Cb 0.66 0.26 -0.07 0.00 -0.60 0.00 0.00 32.23 32.48 1inz h LYS 126 CO 0.04 -0.75 0.45 0.00 -3.45 0.00 0.00 179.45 175.75 1inz h ALA 127 N -1.07 1.15 -0.56 5.00 0.00 -1.35 -0.22 119.26 122.20 1inz h ALA 127 Ca -0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1inz h ALA 127 Cb 0.90 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1inz h ALA 127 CO 0.20 0.07 0.37 -0.22 0.00 0.00 0.00 179.25 179.66 1inz h LYS 128 N 0.75 0.70 0.20 0.00 3.11 -1.32 -2.79 116.57 117.22 1inz h LYS 128 Ca 0.39 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.18 1inz h LYS 128 Cb 0.37 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1inz h LYS 128 CO -0.25 0.46 -0.10 0.37 -2.81 0.00 0.00 179.45 177.12 1inz h GLN 129 N 0.72 -0.26 -1.01 1.90 5.75 0.33 -0.94 115.11 121.60 1inz h GLN 129 Ca 0.21 0.02 0.25 0.00 -0.15 0.00 0.00 58.65 58.98 1inz h GLN 129 Cb -0.03 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 28.45 1inz h GLN 129 CO -0.05 0.02 0.61 1.25 -2.65 0.00 0.00 178.83 178.00 1inz h LEU 130 N -0.53 0.65 -0.24 -2.39 6.46 -1.20 0.30 115.31 118.36 1inz h LEU 130 Ca -0.03 0.13 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 1inz h LEU 130 Cb 0.40 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1inz h LEU 130 CO 0.05 0.10 -0.89 0.58 -0.62 0.00 0.00 178.44 177.65 1inz h VAL 131 N 0.56 1.60 0.54 1.05 2.07 -1.37 -2.91 116.25 117.79 1inz h VAL 131 Ca 0.64 -2.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.21 1inz h VAL 131 Cb 1.26 2.60 0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1inz h VAL 131 CO -0.45 0.84 -0.26 0.00 0.02 0.00 0.00 177.57 177.72 1inz h ALA 132 N 1.07 -0.72 0.25 1.67 0.00 0.99 -1.96 119.26 120.56 1inz h ALA 132 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1inz h ALA 132 Cb 1.56 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1inz h ALA 132 CO 0.12 -0.80 -0.16 -0.07 0.00 0.00 0.00 179.25 178.34 1inz h LEU 133 N -0.93 -0.41 -1.84 0.00 4.07 -1.43 -0.52 115.31 114.25 1inz h LEU 133 Ca -0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1inz h LEU 133 Cb 0.62 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1inz h LEU 133 CO 0.12 -0.26 0.21 -0.07 -1.08 0.00 0.00 178.44 177.36 1inz h LEU 134 N -0.41 0.00 -5.99 1.67 3.38 -1.55 -3.31 115.31 109.10 1inz h LEU 134 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1inz h LEU 134 Cb 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.87 1inz h LEU 134 CO 0.02 0.00 -0.54 -0.13 0.09 0.00 0.00 178.44 177.88 1inz s ARG 135 N -3.85 0.81 -0.11 1.13 0.52 -0.33 -5.03 118.95 112.10 1inz s ARG 135 Ca -0.03 -0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 54.35 1inz s ARG 135 Cb 0.08 -0.20 -0.20 0.00 0.52 0.00 0.00 34.95 35.15 1inz s ARG 135 CO 0.25 -1.22 0.73 0.22 0.02 0.00 0.00 175.30 175.31 1inz h ASP 136 N 6.71 -0.03 -3.81 0.23 3.58 -1.32 -3.41 116.42 118.38 1inz h ASP 136 Ca 0.06 -0.69 -0.66 0.00 0.42 0.00 0.00 57.03 56.16 1inz h ASP 136 Cb 1.13 0.01 -0.21 0.00 1.72 0.00 0.00 39.33 41.97 1inz h ASP 136 CO 0.12 0.77 -0.85 -0.70 -2.88 0.00 0.00 179.24 175.70 1inz s GLU 137 N -2.56 1.38 0.07 0.28 2.12 -1.26 -5.06 118.70 113.67 1inz s GLU 137 Ca -0.15 -1.36 0.09 0.00 0.36 0.00 0.00 54.97 53.91 1inz s GLU 137 Cb -0.01 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 1inz s GLU 137 CO 0.55 0.42 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.95 1inz s ASP 138 N -2.17 2.82 -1.20 -1.70 1.01 -1.26 -5.06 116.67 109.11 1inz s ASP 138 Ca 0.14 -0.61 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 1inz s ASP 138 Cb -0.09 -0.22 0.23 0.00 1.01 0.00 0.00 42.92 43.85 1inz s ASP 138 CO 0.06 0.17 1.72 0.54 0.21 0.00 0.00 175.17 177.87 1inz n ARG 139 N 1.51 4.00 -2.32 8.23 5.12 -1.26 -4.86 116.66 127.07 1inz n ARG 139 Ca -0.18 -3.96 -0.00 0.00 -1.93 0.00 0.00 57.85 51.78 1inz n ARG 139 Cb 0.53 -2.75 -0.00 0.00 -1.16 0.00 0.00 32.46 29.08 1inz n ARG 139 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1inz n LEU 140 N 2.76 -5.14 0.00 0.55 -0.00 -1.26 -4.98 117.00 108.93 1inz n LEU 140 Ca 0.34 2.39 0.00 0.00 -0.00 0.00 0.00 56.01 58.74 1inz n LEU 140 Cb 0.35 -2.85 0.00 0.00 -0.00 0.00 0.00 43.42 40.92 1inz n LEU 140 CO 0.78 -2.73 0.00 -1.14 -0.00 0.00 0.00 177.39 174.30 1inz n ARG 141 N 1.90 0.56 -2.67 1.96 0.63 -1.26 -5.06 116.66 112.72 1inz n ARG 141 Ca -0.03 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.85 1inz n ARG 141 Cb 0.05 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.06 1inz n ARG 141 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1inz n GLU 142 N -0.33 0.21 -4.35 -0.14 2.13 -1.26 -5.14 120.64 111.77 1inz n GLU 142 Ca 0.00 -0.82 -0.34 0.00 0.66 0.00 0.00 57.16 56.67 1inz n GLU 142 Cb 0.00 -0.30 -0.13 0.00 0.27 0.00 0.00 31.44 31.28 1inz n GLU 142 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1inz s GLU 143 N 0.12 3.48 0.00 5.31 2.12 -1.26 -5.33 118.70 123.14 1inz s GLU 143 Ca 0.24 -0.61 0.28 0.00 0.36 0.00 0.00 54.97 55.24 1inz s GLU 143 Cb 0.25 -2.86 1.70 0.00 0.26 0.00 0.00 34.13 33.48 1inz s GLU 143 CO -0.14 0.08 2.04 -2.13 -0.54 0.00 0.00 175.26 174.56