#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 0.62 -3.94 1.61 2.88 -1.26 -4.91 113.62 108.62 1inz n SER -2 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1inz n SER -2 Cb 0.00 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 1inz n SER -2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1inz n SER -1 N -2.28 0.00 -1.61 -3.46 3.41 -1.26 -4.88 113.62 103.54 1inz n SER -1 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1inz n SER -1 Cb 0.50 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.81 1inz n SER -1 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1inz n ARG 0 N 0.00 3.94 -2.47 4.33 1.74 -1.26 -4.92 116.66 118.03 1inz n ARG 0 Ca 0.00 -2.94 -0.12 0.00 -0.77 0.00 0.00 57.85 54.02 1inz n ARG 0 Cb 0.00 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 29.47 1inz n ARG 0 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1inz n MET 1 N 0.96 -2.31 -3.86 5.56 2.81 -1.26 -2.12 117.12 116.89 1inz n MET 1 Ca 0.26 0.56 -0.37 0.00 -1.81 0.00 0.00 57.70 56.33 1inz n MET 1 Cb 0.95 -5.15 0.03 0.00 -0.71 0.00 0.00 33.22 28.33 1inz n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1inz n SER 2 N -1.80 -4.81 0.15 7.83 2.88 -1.26 -4.77 113.62 111.84 1inz n SER 2 Ca -0.13 -1.12 0.17 0.00 -1.33 0.00 0.00 58.87 56.46 1inz n SER 2 Cb 0.60 -2.44 0.77 0.00 -0.75 0.00 0.00 64.21 62.38 1inz n SER 2 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1inz h THR 3 N -1.99 0.60 -6.19 2.46 1.35 -1.86 -3.45 112.91 103.83 1inz h THR 3 Ca -0.66 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 64.74 1inz h THR 3 Cb 1.38 0.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1inz h THR 3 CO 0.48 0.00 -0.74 -0.24 -0.25 0.00 0.00 175.52 174.77 1inz n SER 4 N -4.04 -5.09 -0.68 5.36 2.88 -1.26 -4.65 113.62 106.14 1inz n SER 4 Ca 0.03 -0.72 0.02 0.00 -1.33 0.00 0.00 58.87 56.87 1inz n SER 4 Cb 0.38 -4.18 -0.00 0.00 -0.75 0.00 0.00 64.21 59.66 1inz n SER 4 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER 5 N -2.89 -4.05 -3.72 -3.46 2.88 -1.26 -4.85 113.62 96.27 1inz n SER 5 Ca 0.02 0.15 -0.13 0.00 -1.33 0.00 0.00 58.87 57.58 1inz n SER 5 Cb 0.54 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.42 1inz n SER 5 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1inz s LEU 6 N 0.00 0.35 0.48 2.46 2.96 -1.26 -5.15 118.68 118.51 1inz s LEU 6 Ca 0.00 0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 54.22 1inz s LEU 6 Cb 0.00 0.65 -0.09 0.00 0.50 0.00 0.00 46.19 47.25 1inz s LEU 6 CO 0.00 -0.18 0.96 -0.60 -1.32 0.00 0.00 176.35 175.22 1inz s ARG 7 N 1.43 4.06 0.11 1.98 3.52 -1.26 -5.07 118.95 123.73 1inz s ARG 7 Ca -0.07 1.01 0.09 0.00 -0.13 0.00 0.00 55.73 56.63 1inz s ARG 7 Cb -0.11 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1inz s ARG 7 CO -0.08 -0.16 -0.21 -0.98 -0.81 0.00 0.00 175.30 173.06 1inz s ARG 8 N -3.69 1.70 -0.14 5.12 1.70 -1.26 -5.13 118.95 117.24 1inz s ARG 8 Ca 0.60 -1.21 -0.09 0.00 -0.47 0.00 0.00 55.73 54.56 1inz s ARG 8 Cb -0.10 -2.06 0.05 0.00 -0.57 0.00 0.00 34.95 32.28 1inz s ARG 8 CO 0.24 0.48 0.36 -0.65 -1.08 0.00 0.00 175.30 174.64 1inz s GLN 9 N -2.05 0.35 0.00 3.89 -0.21 -1.26 -5.16 119.66 115.23 1inz s GLN 9 Ca 0.16 0.64 0.00 0.00 0.02 0.00 0.00 55.36 56.19 1inz s GLN 9 Cb -0.10 0.01 0.00 0.00 1.00 0.00 0.00 33.01 33.92 1inz s GLN 9 CO 0.08 -0.13 0.00 -1.33 -2.12 0.00 0.00 175.29 171.80 1inz n MET 10 N 3.87 1.36 0.05 2.91 2.81 -1.26 -5.07 117.12 121.79 1inz n MET 10 Ca -0.21 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.60 1inz n MET 10 Cb 0.55 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.01 1inz n MET 10 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1inz h LYS 11 N 0.00 -0.23 -4.80 0.03 1.57 -2.05 -3.46 116.57 107.63 1inz h LYS 11 Ca 0.00 0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 1inz h LYS 11 Cb 0.00 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1inz h LYS 11 CO 0.00 0.08 -0.40 0.09 -0.57 0.00 0.00 179.45 178.65 1inz n ASN 12 N -4.92 -3.43 -0.02 0.86 4.13 -1.26 -4.79 115.26 105.83 1inz n ASN 12 Ca -0.06 -0.07 0.03 0.00 1.68 0.00 0.00 54.58 56.16 1inz n ASN 12 Cb 0.21 -2.90 -0.15 0.00 -1.54 0.00 0.00 39.78 35.40 1inz n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1inz n ILE 13 N -3.56 0.60 -2.09 2.41 3.06 -1.26 -4.79 119.36 113.73 1inz n ILE 13 Ca -0.06 -0.63 -0.33 0.00 -2.50 0.00 0.00 62.75 59.23 1inz n ILE 13 Cb 0.56 -0.25 -0.04 0.00 0.54 0.00 0.00 39.64 40.45 1inz n ILE 13 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1inz s VAL 14 N -3.13 3.44 -0.82 9.51 1.01 -1.26 -4.91 120.40 124.24 1inz s VAL 14 Ca -0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1inz s VAL 14 Cb 0.11 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.58 1inz s VAL 14 CO 0.87 -1.01 0.91 -1.00 0.00 0.00 0.00 175.10 174.87 1inz s HIS 15 N 9.26 3.31 -0.04 5.22 3.76 -1.26 -4.73 115.29 130.80 1inz s HIS 15 Ca 0.66 -1.50 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 1inz s HIS 15 Cb -0.09 -4.07 0.09 0.00 1.11 0.00 0.00 32.58 29.62 1inz s HIS 15 CO 0.08 -1.28 0.96 0.09 -0.85 0.00 0.00 174.74 173.74 1inz n ASN 16 N 5.64 1.03 -4.74 1.40 4.13 -1.26 -5.06 115.26 116.40 1inz n ASN 16 Ca 0.13 -2.17 -0.41 0.00 1.68 0.00 0.00 54.58 53.82 1inz n ASN 16 Cb 0.47 -0.21 -0.05 0.00 -1.54 0.00 0.00 39.78 38.45 1inz n ASN 16 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1inz s TYR 17 N -1.05 3.86 -0.12 3.10 -0.85 -1.26 -4.95 117.35 116.08 1inz s TYR 17 Ca 0.10 1.79 -0.03 0.00 -0.52 0.00 0.00 57.07 58.41 1inz s TYR 17 Cb 0.09 -3.00 -0.06 0.00 0.38 0.00 0.00 41.96 39.36 1inz s TYR 17 CO 0.01 0.29 -0.13 0.45 -1.52 0.00 0.00 175.55 174.65 1inz n SER 18 N 2.40 1.88 0.00 -0.18 2.88 -1.26 -4.99 113.62 114.35 1inz n SER 18 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1inz n SER 18 Cb 0.49 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -3.23 0.00 0.27 -1.46 0.28 -1.26 -5.05 120.64 110.19 1inz n GLU 19 Ca -0.22 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.63 1inz n GLU 19 Cb 0.69 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.48 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 -0.70 -1.45 -1.84 0.00 -1.94 -2.54 119.26 110.79 1inz h ALA 20 Ca 0.00 -0.19 0.42 0.00 0.00 0.00 0.00 54.91 55.14 1inz h ALA 20 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1inz h ALA 20 CO 0.00 -0.77 1.17 1.05 0.00 0.00 0.00 179.25 180.70 1inz h GLU 21 N -0.95 0.00 0.23 0.00 4.11 -1.83 0.95 114.58 117.08 1inz h GLU 21 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1inz h GLU 21 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1inz h GLU 21 CO 0.12 0.00 -0.11 0.82 0.07 0.00 0.00 179.01 179.91 1inz h ILE 22 N 0.00 0.37 -0.55 -1.06 2.04 -1.82 -2.83 117.51 113.66 1inz h ILE 22 Ca 0.69 -0.93 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1inz h ILE 22 Cb 3.03 0.64 -0.11 0.00 -0.74 0.00 0.00 36.82 39.63 1inz h ILE 22 CO -0.01 0.10 -0.19 0.11 0.00 0.00 0.00 178.15 178.16 1inz h LYS 23 N -1.01 -0.06 -0.77 2.37 1.79 -0.60 0.28 116.57 118.57 1inz h LYS 23 Ca -0.03 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1inz h LYS 23 Cb 0.40 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 1inz h LYS 23 CO 0.05 -0.04 0.51 0.28 -1.08 0.00 0.00 179.45 179.17 1inz h VAL 24 N -0.06 0.95 -0.46 0.50 2.07 -1.51 0.12 116.25 117.86 1inz h VAL 24 Ca 0.26 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1inz h VAL 24 Cb 0.46 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1inz h VAL 24 CO -0.60 0.13 -0.14 -0.09 0.02 0.00 0.00 177.57 176.89 1inz h ARG 25 N 0.70 0.86 0.00 1.57 2.43 -0.22 -2.53 114.38 117.19 1inz h ARG 25 Ca 0.35 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1inz h ARG 25 Cb 0.45 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1inz h ARG 25 CO -0.13 0.95 -0.09 0.39 -1.51 0.00 0.00 179.97 179.58 1inz n GLU 26 N -4.14 0.26 0.23 0.20 -0.58 -0.42 -3.25 120.64 112.94 1inz n GLU 26 Ca 0.01 0.20 0.13 0.00 -0.42 0.00 0.00 57.16 57.07 1inz n GLU 26 Cb 0.40 -1.79 0.28 0.00 -0.57 0.00 0.00 31.44 29.76 1inz n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1inz h ALA 27 N 2.52 0.99 -2.19 0.62 0.00 -0.38 -3.34 119.26 117.48 1inz h ALA 27 Ca 0.00 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.32 1inz h ALA 27 Cb 0.74 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.11 1inz h ALA 27 CO 0.00 0.03 -0.80 0.25 0.00 0.00 0.00 179.25 178.74 1inz n THR 28 N -3.11 1.99 -3.15 0.00 -2.24 -1.17 -4.85 114.28 101.75 1inz n THR 28 Ca 0.03 -5.21 0.06 0.00 -2.27 0.00 0.00 64.05 56.66 1inz n THR 28 Cb 0.49 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.46 1inz n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1inz s SER 29 N -2.96 -0.03 0.00 3.42 1.04 -1.26 -4.76 113.70 109.15 1inz s SER 29 Ca 0.45 0.01 0.29 0.00 0.48 0.00 0.00 55.95 57.18 1inz s SER 29 Cb 0.27 1.02 1.47 0.00 0.10 0.00 0.00 66.02 68.89 1inz s SER 29 CO -0.11 -0.01 1.98 -3.20 0.98 0.00 0.00 173.24 172.88 1inz n ASN 30 N 5.32 0.61 0.20 7.02 5.15 -1.26 -4.17 115.26 128.13 1inz n ASN 30 Ca -0.02 -1.25 -0.17 0.00 -0.60 0.00 0.00 54.58 52.53 1inz n ASN 30 Cb 0.56 -0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 1inz n ASN 30 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1inz h ASP 31 N 0.93 -1.50 -2.49 1.20 5.19 -1.97 -3.43 116.42 114.35 1inz h ASP 31 Ca 0.00 0.14 -0.25 0.00 -0.62 0.00 0.00 57.03 56.30 1inz h ASP 31 Cb 0.20 0.53 0.14 0.00 0.18 0.00 0.00 39.33 40.37 1inz h ASP 31 CO 0.00 -0.61 -0.03 -0.81 -3.12 0.00 0.00 179.24 174.67 1inz n PRO 32 N -5.49 -3.24 0.00 3.56 -0.04 -1.26 -4.94 135.00 123.58 1inz n PRO 32 Ca -0.10 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1inz n PRO 32 Cb 0.44 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -4.51 0.00 -3.25 0.54 8.01 -1.26 -4.99 117.44 111.98 1inz n TRP 33 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1inz n TRP 33 Cb 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N -0.26 -1.11 3.68 6.99 0.00 -1.26 -4.98 105.19 108.24 1inz n GLY 34 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1inz n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1inz n PRO 35 N 0.00 0.89 -3.71 1.61 -0.02 -1.26 -5.03 135.00 127.48 1inz n PRO 35 Ca 0.00 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.68 1inz n PRO 35 Cb 0.00 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 1inz n PRO 35 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1inz s SER 36 N -1.43 0.36 -1.43 2.55 0.01 -1.26 -4.88 113.70 107.62 1inz s SER 36 Ca 0.79 0.25 -0.03 0.00 1.31 0.00 0.00 55.95 58.28 1inz s SER 36 Cb -0.38 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1inz s SER 36 CO 0.44 -0.19 0.51 -0.24 0.41 0.00 0.00 173.24 174.17 1inz n SER 37 N 4.73 -0.94 -2.62 2.44 2.88 -1.26 -3.85 113.62 114.99 1inz n SER 37 Ca -0.16 -0.98 -0.05 0.00 -1.33 0.00 0.00 58.87 56.35 1inz n SER 37 Cb 0.51 -3.17 -0.04 0.00 -0.75 0.00 0.00 64.21 60.75 1inz n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER 38 N -2.95 -1.47 -0.02 -3.46 2.88 -1.26 -4.85 113.62 102.49 1inz n SER 38 Ca -0.25 1.36 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1inz n SER 38 Cb 0.66 -4.95 0.29 0.00 -0.75 0.00 0.00 64.21 59.46 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1inz n LEU 39 N 1.81 0.50 -0.02 2.46 7.94 -1.25 -3.81 117.00 124.63 1inz n LEU 39 Ca -0.37 0.02 -0.20 0.00 -1.11 0.00 0.00 56.01 54.35 1inz n LEU 39 Cb 0.57 -0.26 -0.13 0.00 0.53 0.00 0.00 43.42 44.13 1inz n LEU 39 CO 0.34 0.12 -0.24 0.24 -1.11 0.00 0.00 177.39 176.74 1inz h MET 40 N 0.10 0.18 0.00 1.96 2.86 -1.93 -3.13 114.93 114.96 1inz h MET 40 Ca 0.00 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 1inz h MET 40 Cb 0.50 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1inz h MET 40 CO 0.00 1.14 -0.19 1.03 1.06 0.00 0.00 176.91 179.96 1inz h SER 41 N -0.53 0.00 -0.01 1.22 0.87 -1.92 -2.65 113.55 110.54 1inz h SER 41 Ca -0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1inz h SER 41 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1inz h SER 41 CO 0.02 0.19 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.40 1inz h GLU 42 N 0.00 0.03 -0.64 2.24 4.57 -1.68 -2.15 114.58 116.95 1inz h GLU 42 Ca -0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1inz h GLU 42 Cb 0.34 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1inz h GLU 42 CO 0.02 0.66 0.43 0.82 -1.18 0.00 0.00 179.01 179.76 1inz h ILE 43 N -0.59 0.88 0.12 2.32 2.04 -1.46 -1.46 117.51 119.35 1inz h ILE 43 Ca -0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1inz h ILE 43 Cb 0.66 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1inz h ILE 43 CO 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 178.15 178.17 1inz h ALA 44 N 1.68 -0.17 -0.19 1.87 0.00 -1.44 -2.50 119.26 118.50 1inz h ALA 44 Ca 0.30 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1inz h ALA 44 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1inz h ALA 44 CO -0.09 -0.30 0.45 0.22 0.00 0.00 0.00 179.25 179.53 1inz h ASP 45 N -0.75 0.00 0.15 0.00 3.58 -0.80 0.34 116.42 118.95 1inz h ASP 45 Ca -0.02 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 1inz h ASP 45 Cb 0.54 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.62 1inz h ASP 45 CO 0.03 0.00 -1.30 -0.07 -2.88 0.00 0.00 179.24 175.02 1inz h LEU 46 N 0.00 0.88 -0.91 2.28 3.38 -0.97 -3.26 115.31 116.72 1inz h LEU 46 Ca 0.09 -0.84 0.20 0.00 0.09 0.00 0.00 57.88 57.42 1inz h LEU 46 Cb 1.00 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1inz h LEU 46 CO -0.00 1.64 0.46 0.71 0.09 0.00 0.00 178.44 181.34 1inz h THR 47 N 0.25 0.59 -0.83 0.22 1.35 0.12 0.21 112.91 114.82 1inz h THR 47 Ca -0.20 -0.18 0.21 0.00 -0.55 0.00 0.00 66.41 65.68 1inz h THR 47 Cb 1.97 0.01 -0.14 0.00 -1.73 0.00 0.00 68.15 68.26 1inz h THR 47 CO 0.25 0.10 0.10 1.88 -0.25 0.00 0.00 175.52 177.60 1inz h TYR 48 N 0.53 0.11 -0.76 4.73 0.05 -1.58 -3.25 116.97 116.80 1inz h TYR 48 Ca 0.54 0.05 -0.34 0.00 0.05 0.00 0.00 58.73 59.04 1inz h TYR 48 Cb 0.94 0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.71 1inz h TYR 48 CO -0.09 -0.24 0.85 -0.80 -1.05 0.00 0.00 178.16 176.83 1inz s ASN 49 N -5.14 5.32 0.00 3.88 0.01 0.74 -4.83 114.94 114.92 1inz s ASN 49 Ca -0.13 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 1inz s ASN 49 Cb 0.24 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1inz s ASN 49 CO 0.76 -2.59 0.00 1.33 -1.51 0.00 0.00 177.10 175.10 1inz n VAL 50 N 7.74 0.00 0.18 1.60 0.24 -1.23 0.11 118.33 126.98 1inz n VAL 50 Ca 0.39 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.62 1inz n VAL 50 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1inz h VAL 51 N 0.00 0.00 -0.91 3.34 2.07 -1.88 -2.91 116.25 115.96 1inz h VAL 51 Ca 0.00 -0.06 0.33 0.00 0.82 0.00 0.00 66.70 67.79 1inz h VAL 51 Cb 0.00 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.60 1inz h VAL 51 CO 0.00 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.91 1inz n ALA 52 N -2.28 0.76 0.21 1.67 0.00 0.31 0.51 120.51 121.69 1inz n ALA 52 Ca -0.06 0.94 -0.15 0.00 0.00 0.00 0.00 53.44 54.18 1inz n ALA 52 Cb 0.19 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.48 -0.41 0.00 3.57 -1.38 0.84 116.94 119.09 1inz h PHE 53 Ca 0.69 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.29 1inz h PHE 53 Cb 1.71 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.59 1inz h PHE 53 CO -0.18 -0.29 0.29 1.03 -2.23 0.00 0.00 178.31 176.93 1inz h SER 54 N -0.49 0.04 1.41 0.41 0.87 0.26 0.13 113.55 116.17 1inz h SER 54 Ca -0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 1inz h SER 54 Cb 0.39 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1inz h SER 54 CO 0.06 0.02 -0.56 -0.33 -0.53 0.00 0.00 176.83 175.49 1inz h GLU 55 N 0.04 0.00 0.00 2.24 5.08 -0.43 -3.00 114.58 118.50 1inz h GLU 55 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1inz h GLU 55 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1inz h GLU 55 CO -0.01 0.56 0.00 -0.89 -1.00 0.00 0.00 179.01 177.67 1inz n ILE 56 N -3.25 0.00 -0.34 3.13 5.41 0.38 -3.07 119.36 121.62 1inz n ILE 56 Ca 0.02 0.61 0.25 0.00 1.00 0.00 0.00 62.75 64.63 1inz n ILE 56 Cb 0.75 -1.60 0.53 0.00 -0.71 0.00 0.00 39.64 38.62 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 0.33 0.50 0.38 2.86 -1.57 -0.88 114.93 116.54 1inz h MET 57 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1inz h MET 57 Cb 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1inz h MET 57 CO 0.00 0.22 -0.48 1.03 1.06 0.00 0.00 176.91 178.74 1inz h SER 58 N 0.33 -1.31 0.02 1.22 0.87 -1.64 0.58 113.55 113.63 1inz h SER 58 Ca 0.63 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 61.29 1inz h SER 58 Cb 1.69 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1inz h SER 58 CO -0.32 -0.64 -0.01 0.24 -0.53 0.00 0.00 176.83 175.57 1inz h MET 59 N -0.97 0.00 0.00 2.24 2.07 -1.14 -0.06 114.93 117.07 1inz h MET 59 Ca -0.06 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.45 1inz h MET 59 Cb 0.84 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.55 1inz h MET 59 CO -0.05 0.01 -0.53 0.82 1.07 0.00 0.00 176.91 178.23 1inz h ILE 60 N 0.00 1.34 0.13 -1.22 2.04 0.06 -3.09 117.51 116.77 1inz h ILE 60 Ca -0.00 -1.85 -0.28 0.00 1.00 0.00 0.00 64.86 63.73 1inz h ILE 60 Cb 0.02 2.01 0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1inz h ILE 60 CO 0.00 0.52 -1.16 -0.50 0.00 0.00 0.00 178.15 177.01 1inz h TRP 61 N 0.00 0.92 -0.16 1.37 -0.00 0.99 -2.09 115.95 116.97 1inz h TRP 61 Ca -0.01 -0.59 0.05 0.00 -0.00 0.00 0.00 58.89 58.34 1inz h TRP 61 Cb 0.97 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.16 30.00 1inz h TRP 61 CO 0.00 1.44 -0.22 -0.22 -0.00 0.00 0.00 178.44 179.44 1inz h LYS 62 N 0.14 -0.26 -0.14 0.49 1.63 -1.41 -1.31 116.57 115.72 1inz h LYS 62 Ca -0.18 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.51 1inz h LYS 62 Cb 1.86 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.54 1inz h LYS 62 CO 0.22 -0.17 -0.47 0.00 -3.45 0.00 0.00 179.45 175.58 1inz h ARG 63 N -0.27 0.36 0.00 1.90 2.47 -1.64 -2.54 114.38 114.66 1inz h ARG 63 Ca 0.11 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1inz h ARG 63 Cb 0.43 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1inz h ARG 63 CO -0.32 0.76 0.00 1.28 0.56 0.00 0.00 179.97 182.25 1inz n LEU 64 N -3.98 0.00 -1.53 3.04 4.77 -0.60 -2.48 117.00 116.22 1inz n LEU 64 Ca -0.02 0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1inz n LEU 64 Cb 0.54 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1inz n LEU 64 CO 0.44 -0.35 0.87 0.59 -1.33 0.00 0.00 177.39 177.60 1inz n ASN 65 N -1.47 3.74 0.00 -1.43 4.13 -0.60 -4.82 115.26 114.81 1inz n ASN 65 Ca 0.02 -2.68 0.00 0.00 1.68 0.00 0.00 54.58 53.60 1inz n ASN 65 Cb 0.08 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1inz n ASN 65 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1inz n ASP 66 N -0.04 0.00 0.00 6.41 5.68 -1.04 -4.99 116.55 122.57 1inz n ASP 66 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1inz n ASP 66 Cb 0.90 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 1inz n ASP 66 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1inz n HIS 67 N 0.00 0.00 0.00 2.11 8.25 -1.26 -4.94 115.22 119.38 1inz n HIS 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1inz n HIS 67 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -0.77 2.36 -1.41 0.00 -1.26 -4.60 105.19 99.52 1inz n GLY 68 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1inz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1inz n LYS 69 N 0.00 3.10 -2.45 1.61 2.85 -1.26 -4.63 118.16 117.38 1inz n LYS 69 Ca 0.00 -3.79 -0.13 0.00 -1.05 0.00 0.00 58.31 53.34 1inz n LYS 69 Cb 0.00 -2.28 0.03 0.00 -0.65 0.00 0.00 35.03 32.13 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1inz n ASN 70 N -0.72 3.27 0.11 -5.58 4.13 -1.26 -4.82 115.26 110.38 1inz n ASN 70 Ca 0.52 -2.97 0.08 0.00 1.68 0.00 0.00 54.58 53.89 1inz n ASN 70 Cb 0.68 -0.42 0.41 0.00 -1.54 0.00 0.00 39.78 38.90 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 -0.59 0.51 -0.35 3.10 4.27 -1.26 -2.52 117.44 120.60 1inz n TRP 71 Ca 0.26 0.25 0.11 0.00 -3.89 0.00 0.00 57.50 54.23 1inz n TRP 71 Cb 0.86 -0.90 0.31 0.00 -1.36 0.00 0.00 31.31 30.22 1inz n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1inz h ARG 72 N 0.00 0.80 -0.60 -2.67 3.08 -1.97 0.72 114.38 113.73 1inz h ARG 72 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1inz h ARG 72 Cb 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1inz h ARG 72 CO 0.00 0.53 0.28 0.45 -1.07 0.00 0.00 179.97 180.16 1inz h HIS 73 N 0.83 0.85 0.39 3.04 3.86 -1.79 -2.90 115.15 119.43 1inz h HIS 73 Ca 0.54 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.70 1inz h HIS 73 Cb 0.76 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 1inz h HIS 73 CO -0.00 0.63 -0.23 0.28 0.86 0.00 0.00 177.93 179.46 1inz h VAL 74 N 0.85 0.52 -0.18 2.45 2.07 -0.94 0.30 116.25 121.33 1inz h VAL 74 Ca 0.21 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1inz h VAL 74 Cb 0.11 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1inz h VAL 74 CO -0.03 0.00 -0.39 0.22 0.02 0.00 0.00 177.57 177.39 1inz h TYR 75 N -0.59 -1.12 -0.02 1.57 3.20 -1.35 0.32 116.97 118.98 1inz h TYR 75 Ca -0.04 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1inz h TYR 75 Cb 0.48 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1inz h TYR 75 CO -0.08 -0.45 0.02 0.87 -1.64 0.00 0.00 178.16 176.87 1inz h LYS 76 N -0.44 0.00 0.00 1.82 6.56 -1.39 -0.31 116.57 122.82 1inz h LYS 76 Ca 0.09 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.58 1inz h LYS 76 Cb 0.60 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1inz h LYS 76 CO -0.42 0.00 -0.49 0.00 -2.06 0.00 0.00 179.45 176.49 1inz h ALA 77 N 1.98 0.94 -0.02 3.86 0.00 0.18 -2.87 119.26 123.32 1inz h ALA 77 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1inz h ALA 77 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1inz h ALA 77 CO -0.00 0.61 -0.79 0.52 0.00 0.00 0.00 179.25 179.59 1inz h MET 78 N 0.00 0.22 0.00 0.00 2.86 0.27 -2.69 114.93 115.59 1inz h MET 78 Ca -0.00 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.30 1inz h MET 78 Cb 1.03 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1inz h MET 78 CO 0.06 0.90 -0.57 1.15 1.06 0.00 0.00 176.91 179.52 1inz h THR 79 N 0.14 1.18 0.07 2.22 2.02 -1.41 -2.32 112.91 114.81 1inz h THR 79 Ca -0.03 -2.12 -0.00 0.00 0.77 0.00 0.00 66.41 65.03 1inz h THR 79 Cb 1.38 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1inz h THR 79 CO 0.12 0.56 -0.03 0.25 0.37 0.00 0.00 175.52 176.79 1inz h LEU 80 N 0.00 -0.08 -2.73 2.58 5.85 -1.46 -0.51 115.31 118.96 1inz h LEU 80 Ca -0.01 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1inz h LEU 80 Cb 1.17 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1inz h LEU 80 CO 0.07 0.61 -0.00 -0.03 -0.34 0.00 0.00 178.44 178.75 1inz h MET 81 N -0.90 0.00 0.05 1.25 4.05 -1.55 -0.66 114.93 117.17 1inz h MET 81 Ca -0.01 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.10 1inz h MET 81 Cb 0.60 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1inz h MET 81 CO 0.02 0.00 -1.69 1.49 0.23 0.00 0.00 176.91 176.96 1inz h GLU 82 N 0.00 0.11 0.00 0.39 4.22 -1.38 -3.01 114.58 114.91 1inz h GLU 82 Ca -0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 59.36 59.21 1inz h GLU 82 Cb 0.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1inz h GLU 82 CO 0.00 0.82 -0.19 -0.92 -2.18 0.00 0.00 179.01 176.54 1inz h TYR 83 N 0.03 0.00 0.07 0.92 5.03 -0.24 -3.30 116.97 119.48 1inz h TYR 83 Ca -0.29 0.00 -0.32 0.00 2.58 0.00 0.00 58.73 60.70 1inz h TYR 83 Cb 2.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 40.25 1inz h TYR 83 CO 0.03 0.19 -1.76 -0.07 -1.32 0.00 0.00 178.16 175.23 1inz h LEU 84 N 0.00 0.23 -2.38 2.82 3.38 -1.28 -3.22 115.31 114.85 1inz h LEU 84 Ca -0.00 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1inz h LEU 84 Cb 1.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1inz h LEU 84 CO 0.02 1.40 0.17 0.40 0.09 0.00 0.00 178.44 180.53 1inz h ILE 85 N 0.04 0.25 0.00 1.22 2.04 -1.60 0.57 117.51 120.03 1inz h ILE 85 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1inz h ILE 85 Cb 2.02 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1inz h ILE 85 CO 0.10 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.54 1inz n LYS 86 N -3.42 0.00 0.18 2.37 4.76 -1.25 -4.50 118.16 116.30 1inz n LYS 86 Ca -0.01 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1inz n LYS 86 Cb 0.26 -0.11 0.24 0.00 -1.84 0.00 0.00 35.03 33.58 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1inz h THR 87 N 0.00 0.69 0.00 -0.18 1.03 -1.65 -3.36 112.91 109.45 1inz h THR 87 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 66.41 64.77 1inz h THR 87 Cb 0.00 2.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 1inz h THR 87 CO 0.00 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 176.46 1inz n GLY 88 N 0.67 -3.20 0.00 2.99 0.00 0.19 -4.71 105.19 101.13 1inz n GLY 88 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1inz n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1inz n SER 89 N -1.24 0.00 0.24 1.61 2.88 -0.90 -4.04 113.62 112.16 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 0.00 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.06 -1.46 5.08 -1.87 -0.20 114.58 116.19 1inz h GLU 90 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1inz h GLU 90 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1inz h GLU 90 CO 0.00 0.00 -1.10 0.00 -1.00 0.00 0.00 179.01 176.91 1inz h ARG 91 N 0.00 0.53 -0.91 2.33 3.08 -1.94 -2.87 114.38 114.60 1inz h ARG 91 Ca 0.00 -0.65 0.02 0.00 0.07 0.00 0.00 59.98 59.42 1inz h ARG 91 Cb 0.35 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1inz h ARG 91 CO 0.00 1.26 0.60 0.28 -1.07 0.00 0.00 179.97 181.04 1inz h VAL 92 N 0.27 1.21 -0.31 2.04 2.07 -1.33 -1.48 116.25 118.72 1inz h VAL 92 Ca -0.13 -0.41 -0.18 0.00 0.82 0.00 0.00 66.70 66.79 1inz h VAL 92 Cb 1.77 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1inz h VAL 92 CO 0.20 0.22 -0.50 -1.28 0.02 0.00 0.00 177.57 176.24 1inz h SER 93 N 1.21 0.97 -0.94 0.57 0.87 -1.59 -2.66 113.55 111.98 1inz h SER 93 Ca 0.34 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1inz h SER 93 Cb -0.10 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.54 1inz h SER 93 CO -0.08 1.30 0.58 1.56 -0.53 0.00 0.00 176.83 179.66 1inz h GLN 94 N 0.67 1.27 -0.66 2.24 4.20 -1.18 -1.94 115.11 119.72 1inz h GLN 94 Ca 0.03 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1inz h GLN 94 Cb 1.10 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1inz h GLN 94 CO 0.11 0.88 0.11 0.37 -0.67 0.00 0.00 178.83 179.63 1inz h GLN 95 N 1.30 1.09 -0.90 1.46 5.75 -1.21 -2.24 115.11 120.35 1inz h GLN 95 Ca 0.34 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1inz h GLN 95 Cb -0.07 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.28 1inz h GLN 95 CO -0.07 0.99 0.55 0.00 -2.65 0.00 0.00 178.83 177.66 1inz h LYS 97 N 0.96 0.25 0.00 0.00 1.57 -1.05 0.31 116.57 118.62 1inz h LYS 97 Ca 0.41 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1inz h LYS 97 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1inz h LYS 97 CO -0.21 0.55 -0.02 0.39 -0.57 0.00 0.00 179.45 179.59 1inz n GLU 98 N -4.10 0.24 -1.51 3.15 1.02 0.09 -3.62 120.64 115.91 1inz n GLU 98 Ca -0.01 0.19 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 1inz n GLU 98 Cb 0.41 -1.77 0.09 0.00 -0.02 0.00 0.00 31.44 30.15 1inz n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1inz n ASN 99 N -2.19 2.01 0.26 1.62 3.02 0.83 -4.82 115.26 116.00 1inz n ASN 99 Ca 0.06 -2.94 0.09 0.00 -0.03 0.00 0.00 54.58 51.75 1inz n ASN 99 Cb 0.42 -0.41 0.67 0.00 -0.61 0.00 0.00 39.78 39.85 1inz n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1inz h MET 100 N 1.47 0.00 0.00 3.52 -0.00 -0.47 -0.92 114.93 118.54 1inz h MET 100 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1inz h MET 100 Cb 1.43 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.03 1inz h MET 100 CO 0.19 0.03 -0.18 1.88 -0.00 0.00 0.00 176.91 178.84 1inz h TYR 101 N 0.00 0.00 0.04 -0.10 0.05 -1.87 -1.43 116.97 113.65 1inz h TYR 101 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 1inz h TYR 101 Cb 0.06 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.82 1inz h TYR 101 CO 0.00 0.18 -0.97 0.00 -1.05 0.00 0.00 178.16 176.32 1inz h ALA 102 N 1.82 0.06 0.00 3.88 0.00 -1.54 -1.19 119.26 122.29 1inz h ALA 102 Ca -0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 1inz h ALA 102 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1inz h ALA 102 CO 0.02 0.58 -0.39 0.28 0.00 0.00 0.00 179.25 179.75 1inz h VAL 103 N 0.19 0.86 0.00 0.00 2.07 -1.44 -3.09 116.25 114.84 1inz h VAL 103 Ca -0.13 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.66 1inz h VAL 103 Cb 1.65 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1inz h VAL 103 CO 0.19 0.38 -1.14 1.56 0.02 0.00 0.00 177.57 178.58 1inz h GLN 104 N 0.00 0.00 0.00 1.57 4.20 -1.29 -3.30 115.11 116.29 1inz h GLN 104 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1inz h GLN 104 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1inz h GLN 104 CO 0.05 0.30 0.00 -2.37 -0.67 0.00 0.00 178.83 176.14 1inz n THR 105 N -2.94 1.27 -0.01 -0.54 5.66 -0.45 -2.12 114.28 115.14 1inz n THR 105 Ca -0.06 0.49 -0.18 0.00 -3.05 0.00 0.00 64.05 61.25 1inz n THR 105 Cb 0.78 -1.44 -0.08 0.00 -1.55 0.00 0.00 70.33 68.04 1inz n THR 105 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1inz h LEU 106 N 0.00 0.95 -1.68 1.09 3.38 -1.68 -2.94 115.31 114.43 1inz h LEU 106 Ca 0.00 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.47 1inz h LEU 106 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1inz h LEU 106 CO 0.00 1.45 0.66 0.07 0.09 0.00 0.00 178.44 180.70 1inz h LYS 107 N 0.52 0.00 0.01 1.13 5.09 -1.66 0.28 116.57 121.94 1inz h LYS 107 Ca -0.07 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.35 1inz h LYS 107 Cb 1.46 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.73 1inz h LYS 107 CO 0.17 0.00 -1.98 -3.47 -2.09 0.00 0.00 179.45 172.07 1inz n ASP 108 N -3.46 0.78 -4.56 7.07 -0.08 -1.15 -4.87 116.55 110.26 1inz n ASP 108 Ca 0.10 0.24 -0.54 0.00 -1.51 0.00 0.00 54.79 53.08 1inz n ASP 108 Cb 0.85 0.17 -0.07 0.00 2.34 0.00 0.00 41.12 44.41 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1inz n PHE 109 N -3.01 1.82 -3.66 -0.67 7.35 0.99 -4.91 117.46 115.38 1inz n PHE 109 Ca -0.25 0.41 -0.07 0.00 -0.76 0.00 0.00 57.45 56.78 1inz n PHE 109 Cb 1.08 -2.49 -0.08 0.00 0.35 0.00 0.00 39.48 38.34 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 4.89 0.39 -0.30 -4.13 -2.07 -1.26 -4.89 119.66 112.28 1inz s GLN 110 Ca 1.04 1.14 -0.10 0.00 -1.82 0.00 0.00 55.36 55.62 1inz s GLN 110 Cb -0.99 0.46 0.17 0.00 -1.09 0.00 0.00 33.01 31.57 1inz s GLN 110 CO 0.58 -0.24 0.90 -0.47 -1.32 0.00 0.00 175.29 174.75 1inz s TYR 111 N 2.67 -0.88 0.00 9.60 5.04 -1.26 -5.13 117.35 127.39 1inz s TYR 111 Ca -0.03 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 1inz s TYR 111 Cb -0.12 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1inz s TYR 111 CO -0.14 -0.47 0.00 0.28 -1.34 0.00 0.00 175.55 173.88 1inz n VAL 112 N 5.33 0.00 -2.90 3.14 0.31 -1.26 -4.82 118.33 118.12 1inz n VAL 112 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1inz n VAL 112 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 0.00 0.00 -0.27 4.52 8.00 -1.26 -4.74 116.55 122.80 1inz n ASP 113 Ca 0.00 -0.59 0.08 0.00 0.71 0.00 0.00 54.79 54.98 1inz n ASP 113 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.00 0.15 -0.12 -1.24 0.11 -2.04 -3.30 114.38 107.94 1inz h ARG 114 Ca 0.00 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1inz h ARG 114 Cb 0.00 -0.03 -0.21 0.00 1.11 0.00 0.00 29.97 30.83 1inz h ARG 114 CO 0.00 0.10 -0.49 -3.47 0.10 0.00 0.00 179.97 176.21 1inz n ASP 115 N -5.29 -0.73 -2.77 0.08 2.03 -1.26 -5.13 116.55 103.49 1inz n ASP 115 Ca 0.16 -2.19 0.00 0.00 0.52 0.00 0.00 54.79 53.28 1inz n ASP 115 Cb 0.53 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1inz n GLY 116 N -1.26 -0.32 3.23 0.27 0.00 -1.25 -5.08 105.19 100.78 1inz n GLY 116 Ca -0.11 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1inz n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1inz s LYS 117 N 0.24 1.94 -0.37 1.61 2.20 -1.26 -4.82 119.74 119.29 1inz s LYS 117 Ca 0.00 -0.78 -0.39 0.00 -0.36 0.00 0.00 55.97 54.44 1inz s LYS 117 Cb 0.00 -1.79 -0.14 0.00 -1.51 0.00 0.00 37.83 34.39 1inz s LYS 117 CO 0.00 0.42 2.05 -3.47 -0.36 0.00 0.00 175.35 173.99 1inz n ASP 118 N 2.72 1.88 -2.71 1.43 -0.08 -1.26 -4.78 116.55 113.75 1inz n ASP 118 Ca -0.16 0.67 -0.00 0.00 -1.51 0.00 0.00 54.79 53.78 1inz n ASP 118 Cb 0.52 -1.14 0.06 0.00 2.34 0.00 0.00 41.12 42.90 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1inz n GLN 119 N 7.21 1.56 -2.19 -0.67 10.64 -1.26 -4.88 117.38 127.78 1inz n GLN 119 Ca 0.40 -3.06 -0.13 0.00 -1.83 0.00 0.00 57.00 52.38 1inz n GLN 119 Cb 0.14 -1.19 0.04 0.00 -0.86 0.00 0.00 30.24 28.36 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 -0.67 4.56 0.12 2.61 0.00 -1.26 -4.81 105.19 105.74 1inz n GLY 120 Ca 0.03 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 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 3.45 1.28 -1.49 1.61 3.04 -1.94 -3.30 116.25 118.90 1inz h VAL 121 Ca 0.15 -2.50 0.43 0.00 -1.01 0.00 0.00 66.70 63.77 1inz h VAL 121 Cb 1.43 2.98 -0.06 0.00 -2.01 0.00 0.00 31.29 33.63 1inz h VAL 121 CO 0.49 0.72 1.30 -1.13 -1.01 0.00 0.00 177.57 177.95 1inz h ASN 122 N -0.28 0.00 0.00 3.17 -1.24 -1.99 0.62 115.58 115.86 1inz h ASN 122 Ca -0.22 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.76 1inz h ASN 122 Cb 1.76 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.81 1inz h ASN 122 CO 0.13 0.00 -0.09 0.58 -1.29 0.00 0.00 177.43 176.76 1inz h VAL 123 N 0.00 1.64 -0.67 2.57 2.07 -1.95 -1.88 116.25 118.02 1inz h VAL 123 Ca 0.71 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1inz h VAL 123 Cb 3.30 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 36.01 1inz h VAL 123 CO -0.01 0.53 0.42 -0.09 0.02 0.00 0.00 177.57 178.44 1inz h ARG 124 N -0.75 0.89 0.09 1.57 2.43 0.08 -1.47 114.38 117.23 1inz h ARG 124 Ca -0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1inz h ARG 124 Cb 0.91 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1inz h ARG 124 CO 0.02 0.61 -0.04 0.93 -1.51 0.00 0.00 179.97 179.97 1inz h GLU 125 N 0.92 -0.12 -0.81 0.20 5.08 -1.42 -2.44 114.58 115.99 1inz h GLU 125 Ca 0.24 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.80 1inz h GLU 125 Cb -0.07 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.09 1inz h GLU 125 CO -0.05 -0.08 0.26 -0.22 -1.00 0.00 0.00 179.01 177.92 1inz h LYS 126 N -0.89 0.32 -0.39 2.33 1.63 -1.38 -0.12 116.57 118.07 1inz h LYS 126 Ca -0.01 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1inz h LYS 126 Cb 0.09 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1inz h LYS 126 CO 0.02 0.21 0.05 0.00 -3.45 0.00 0.00 179.45 176.28 1inz h ALA 127 N 1.66 0.52 -1.01 5.00 0.00 -1.39 -2.80 119.26 121.24 1inz h ALA 127 Ca 0.48 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.39 1inz h ALA 127 Cb 0.85 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1inz h ALA 127 CO -0.52 0.24 0.62 -0.22 0.00 0.00 0.00 179.25 179.37 1inz h LYS 128 N 0.50 0.59 0.04 0.00 3.64 -0.51 -1.70 116.57 119.14 1inz h LYS 128 Ca 0.12 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1inz h LYS 128 Cb 0.39 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1inz h LYS 128 CO 0.01 0.39 -0.02 0.37 -2.27 0.00 0.00 179.45 177.93 1inz h GLN 129 N 0.61 -0.05 -0.24 1.90 4.15 -1.24 -2.39 115.11 117.85 1inz h GLN 129 Ca 0.60 0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.10 1inz h GLN 129 Cb 1.15 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1inz h GLN 129 CO -0.40 0.48 0.58 1.25 -1.93 0.00 0.00 178.83 178.81 1inz h LEU 130 N -0.62 0.00 0.02 -2.39 5.85 -1.08 0.35 115.31 117.44 1inz h LEU 130 Ca -0.01 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1inz h LEU 130 Cb 0.55 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1inz h LEU 130 CO 0.01 0.00 -1.89 0.52 -0.34 0.00 0.00 178.44 176.74 1inz n VAL 131 N -3.11 1.59 0.16 1.05 0.31 -0.97 -4.08 118.33 113.28 1inz n VAL 131 Ca 0.04 -0.78 -0.07 0.00 -0.01 0.00 0.00 64.34 63.52 1inz n VAL 131 Cb 0.69 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1inz n VAL 131 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1inz h ALA 132 N 0.83 -0.60 -1.22 3.52 0.00 0.21 -2.47 119.26 119.52 1inz h ALA 132 Ca -0.36 -0.10 0.35 0.00 0.00 0.00 0.00 54.91 54.81 1inz h ALA 132 Cb 2.05 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.97 1inz h ALA 132 CO 0.07 -0.57 1.09 1.25 0.00 0.00 0.00 179.25 181.09 1inz h LEU 133 N -0.81 0.00 0.08 0.00 5.85 -1.62 0.20 115.31 119.01 1inz h LEU 133 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1inz h LEU 133 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1inz h LEU 133 CO 0.08 0.00 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.07 1inz h LEU 134 N 0.00 -0.09 -5.43 2.25 3.38 -1.69 -3.37 115.31 110.37 1inz h LEU 134 Ca 0.58 -0.22 -0.74 0.00 0.09 0.00 0.00 57.88 57.59 1inz h LEU 134 Cb 2.76 0.02 -0.31 0.00 0.09 0.00 0.00 40.66 43.22 1inz h LEU 134 CO -0.01 0.49 0.60 -1.14 0.09 0.00 0.00 178.44 178.48 1inz n ARG 135 N -4.82 3.89 -0.01 1.13 0.63 -0.13 -4.77 116.66 112.58 1inz n ARG 135 Ca -0.04 -4.25 -0.00 0.00 -0.92 0.00 0.00 57.85 52.65 1inz n ARG 135 Cb 0.15 -2.34 -0.00 0.00 0.45 0.00 0.00 32.46 30.72 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1inz h ASP 136 N 3.38 0.00 -1.53 6.15 1.82 -1.22 -3.47 116.42 121.55 1inz h ASP 136 Ca 0.47 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 56.68 1inz h ASP 136 Cb 0.31 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.34 1inz h ASP 136 CO 1.19 0.13 -0.28 -1.83 -1.61 0.00 0.00 179.24 176.83 1inz s GLU 137 N -1.16 2.90 0.13 0.28 -1.05 -1.26 -5.10 118.70 113.45 1inz s GLU 137 Ca -0.01 -1.18 -0.05 0.00 -0.15 0.00 0.00 54.97 53.58 1inz s GLU 137 Cb 0.00 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 30.89 1inz s GLU 137 CO 0.01 -0.19 0.15 0.34 0.95 0.00 0.00 175.26 176.52 1inz s ASP 138 N -4.31 0.20 0.00 0.83 -1.08 -1.26 -5.10 116.67 105.95 1inz s ASP 138 Ca 0.52 -1.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1inz s ASP 138 Cb -0.10 0.35 0.00 0.00 -1.46 0.00 0.00 42.92 41.71 1inz s ASP 138 CO 0.33 -0.78 0.29 0.54 0.52 0.00 0.00 175.17 176.07 1inz n ARG 139 N -0.12 0.00 -3.45 4.34 1.74 -1.26 -4.88 116.66 113.03 1inz n ARG 139 Ca -0.08 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1inz n ARG 139 Cb 0.63 -0.79 0.03 0.00 -1.02 0.00 0.00 32.46 31.31 1inz n ARG 139 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1inz n LEU 140 N -0.41 -3.30 -4.69 0.55 4.32 -1.26 -4.80 117.00 107.42 1inz n LEU 140 Ca 0.00 -0.19 -0.40 0.00 -0.02 0.00 0.00 56.01 55.39 1inz n LEU 140 Cb 0.00 -1.91 0.02 0.00 -1.62 0.00 0.00 43.42 39.91 1inz n LEU 140 CO 0.00 -0.31 0.83 -2.11 -1.22 0.00 0.00 177.39 174.58 1inz n ARG 141 N -0.64 1.73 -2.52 3.23 1.85 -1.26 -4.87 116.66 114.17 1inz n ARG 141 Ca -0.09 0.62 -0.40 0.00 -1.00 0.00 0.00 57.85 56.97 1inz n ARG 141 Cb 0.65 -2.35 -0.03 0.00 -1.05 0.00 0.00 32.46 29.68 1inz n ARG 141 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1inz s GLU 142 N -2.35 3.32 -0.24 2.89 -1.05 -1.26 -4.95 118.70 115.07 1inz s GLU 142 Ca 0.64 -0.58 -0.37 0.00 -0.15 0.00 0.00 54.97 54.52 1inz s GLU 142 Cb -0.49 -4.71 -0.13 0.00 -0.44 0.00 0.00 34.13 28.36 1inz s GLU 142 CO 0.55 -2.23 1.93 0.39 0.95 0.00 0.00 175.26 176.86 1inz n GLU 143 N 9.15 1.47 0.00 -4.83 1.02 -1.26 -5.35 120.64 120.84 1inz n GLU 143 Ca 0.17 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1inz n GLU 143 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1inz n GLU 143 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85