#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4v n THR 22 N 0.00 0.00 0.00 2.62 -2.24 -1.26 -5.05 114.28 108.35 1r4v n THR 22 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1r4v n THR 22 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1r4v n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r4v n LEU 24 N 0.00 0.00 -4.60 3.22 7.99 -1.26 -4.97 117.00 117.38 1r4v n LEU 24 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 56.01 55.50 1r4v n LEU 24 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 1r4v n LEU 24 CO 0.00 0.00 0.89 -1.14 -1.51 0.00 0.00 177.39 175.63 1r4v n ARG 25 N 0.00 1.37 -1.54 3.23 0.63 -1.26 -4.77 116.66 114.32 1r4v n ARG 25 Ca 0.00 0.49 -0.45 0.00 -0.92 0.00 0.00 57.85 56.97 1r4v n ARG 25 Cb 0.00 -2.11 -0.02 0.00 0.45 0.00 0.00 32.46 30.79 1r4v n ARG 25 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1r4v n PRO 26 N 2.35 0.99 -1.97 -0.14 -0.02 -1.26 -4.84 135.00 130.11 1r4v n PRO 26 Ca 0.16 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1r4v n PRO 26 Cb 0.23 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1r4v n PRO 26 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r4v s LYS 27 N -1.45 3.65 0.00 -0.52 3.01 -1.26 -2.72 119.74 120.45 1r4v s LYS 27 Ca 0.60 2.15 0.00 0.00 -1.01 0.00 0.00 55.97 57.72 1r4v s LYS 27 Cb -0.74 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 33.55 1r4v s LYS 27 CO 0.59 -0.76 0.00 0.41 0.51 0.00 0.00 175.35 176.10 1r4v n GLY 28 N 0.63 2.65 0.31 -3.33 0.00 -1.26 -4.41 105.19 99.77 1r4v n GLY 28 Ca 0.06 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1r4v n GLY 28 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1r4v h PHE 29 N 0.00 -0.69 -0.42 1.61 -1.00 -1.85 0.27 116.94 114.85 1r4v h PHE 29 Ca 0.00 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1r4v h PHE 29 Cb 0.00 0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 1r4v h PHE 29 CO 0.00 -0.42 -0.25 -0.40 -1.61 0.00 0.00 178.31 175.63 1r4v n ASP 30 N -5.40 -0.45 0.06 2.17 5.68 -1.26 0.44 116.55 117.79 1r4v n ASP 30 Ca -0.12 0.94 -0.05 0.00 -0.50 0.00 0.00 54.79 55.07 1r4v n ASP 30 Cb 0.30 -0.19 0.15 0.00 -1.14 0.00 0.00 41.12 40.24 1r4v n ASP 30 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1r4v h LYS 31 N 0.00 0.33 -0.06 0.11 1.57 -1.76 -0.81 116.57 115.94 1r4v h LYS 31 Ca 0.07 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1r4v h LYS 31 Cb 0.17 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1r4v h LYS 31 CO -0.40 0.75 -0.05 1.25 -0.57 0.00 0.00 179.45 180.44 1r4v h LEU 32 N 0.26 0.14 -0.03 2.94 5.85 -0.35 -0.56 115.31 123.56 1r4v h LEU 32 Ca 0.01 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1r4v h LEU 32 Cb 0.97 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1r4v h LEU 32 CO 0.08 0.58 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.62 1r4v h ASP 33 N -0.29 -1.09 -0.57 1.25 3.58 0.14 0.15 116.42 119.59 1r4v h ASP 33 Ca 0.01 0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.64 1r4v h ASP 33 Cb 0.53 0.44 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 1r4v h ASP 33 CO 0.01 -0.41 0.32 -0.74 -2.88 0.00 0.00 179.24 175.55 1r4v h HIS 34 N -0.50 0.60 -0.34 0.28 2.76 -1.18 -1.97 115.15 114.80 1r4v h HIS 34 Ca 0.06 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1r4v h HIS 34 Cb 0.59 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1r4v h HIS 34 CO -0.39 0.32 -0.07 -0.92 -1.30 0.00 0.00 177.93 175.57 1r4v h TYR 35 N 0.63 0.73 -0.93 5.26 3.20 -0.48 -2.19 116.97 123.18 1r4v h TYR 35 Ca 0.24 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1r4v h TYR 35 Cb 0.09 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1r4v h TYR 35 CO -0.08 0.81 0.60 0.74 -1.64 0.00 0.00 178.16 178.60 1r4v h PHE 36 N 0.44 1.19 0.27 -3.82 -1.00 -0.58 -0.51 116.94 112.93 1r4v h PHE 36 Ca 0.09 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 1r4v h PHE 36 Cb 0.56 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1r4v h PHE 36 CO 0.05 0.76 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.29 1r4v h ARG 37 N 1.27 -0.35 -0.12 1.51 2.43 -0.93 0.05 114.38 118.24 1r4v h ARG 37 Ca 0.34 0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.32 1r4v h ARG 37 Cb -0.12 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1r4v h ARG 37 CO -0.07 -0.01 -0.79 1.79 -1.51 0.00 0.00 179.97 179.38 1r4v h THR 38 N -0.91 1.30 0.00 0.20 1.35 -1.41 -2.95 112.91 110.48 1r4v h THR 38 Ca -0.04 -2.04 -0.32 0.00 -0.55 0.00 0.00 66.41 63.46 1r4v h THR 38 Cb 0.50 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 68.91 1r4v h THR 38 CO 0.06 0.64 -2.29 -0.62 -0.25 0.00 0.00 175.52 173.06 1r4v n GLU 39 N -3.90 0.82 0.00 4.72 -0.58 -0.21 -4.66 120.64 116.83 1r4v n GLU 39 Ca -0.07 -0.03 0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1r4v n GLU 39 Cb 0.75 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.12 1r4v n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r4v n LEU 40 N -2.67 1.17 -2.93 -4.62 4.77 -0.94 -5.02 117.00 106.76 1r4v n LEU 40 Ca -0.29 -0.77 -0.20 0.00 -0.03 0.00 0.00 56.01 54.72 1r4v n LEU 40 Cb 1.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.22 1r4v n LEU 40 CO 0.41 0.24 0.12 0.47 -1.33 0.00 0.00 177.39 177.30 1r4v n ASP 41 N -0.26 -5.67 -4.04 -1.43 10.43 -0.26 -4.96 116.55 110.36 1r4v n ASP 41 Ca 0.04 -0.37 -0.30 0.00 2.57 0.00 0.00 54.79 56.73 1r4v n ASP 41 Cb 0.19 -4.38 -0.16 0.00 1.84 0.00 0.00 41.12 38.61 1r4v n ASP 41 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1r4v s ILE 42 N -3.20 1.60 -0.50 0.53 1.01 -0.16 -4.80 121.20 115.69 1r4v s ILE 42 Ca 0.40 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 60.20 1r4v s ILE 42 Cb -0.18 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 40.86 1r4v s ILE 42 CO 0.49 0.46 0.61 -0.62 0.00 0.00 0.00 174.94 175.89 1r4v s ASP 43 N 1.35 6.23 0.26 3.58 2.15 0.03 -2.29 116.67 127.98 1r4v s ASP 43 Ca 0.02 -0.89 -0.02 0.00 0.43 0.00 0.00 52.55 52.09 1r4v s ASP 43 Cb -0.13 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 1r4v s ASP 43 CO -0.09 -0.87 0.48 -0.76 -0.17 0.00 0.00 175.17 173.76 1r4v s LEU 44 N 2.59 4.13 0.40 -1.34 1.43 -1.26 -4.05 118.68 120.58 1r4v s LEU 44 Ca 0.15 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1r4v s LEU 44 Cb -0.19 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 1r4v s LEU 44 CO 0.12 -0.14 0.02 0.42 0.23 0.00 0.00 176.35 177.00 1r4v s THR 45 N -2.02 2.08 0.22 5.49 -4.23 -1.26 -4.98 115.64 110.95 1r4v s THR 45 Ca 0.41 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 1r4v s THR 45 Cb -0.11 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.96 1r4v s THR 45 CO 0.30 -0.03 1.74 0.44 -0.54 0.00 0.00 174.62 176.54 1r4v h ASP 46 N 1.76 0.27 -0.38 3.99 3.32 -2.00 0.13 116.42 123.51 1r4v h ASP 46 Ca -0.44 0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.74 1r4v h ASP 46 Cb 1.24 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 1r4v h ASP 46 CO 0.78 0.14 0.16 -0.08 -1.72 0.00 0.00 179.24 178.52 1r4v h GLU 47 N 0.44 0.33 0.00 3.56 4.81 -2.00 -1.66 114.58 120.06 1r4v h GLU 47 Ca 0.35 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 1r4v h GLU 47 Cb 0.46 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1r4v h GLU 47 CO -0.34 0.22 -0.67 1.79 -0.73 0.00 0.00 179.01 179.28 1r4v h THR 48 N 0.33 1.20 -0.57 0.32 1.35 -1.78 -2.79 112.91 110.97 1r4v h THR 48 Ca 0.17 -2.56 -0.02 0.00 -0.55 0.00 0.00 66.41 63.45 1r4v h THR 48 Cb 0.12 2.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 1r4v h THR 48 CO -0.15 0.66 0.29 0.40 -0.25 0.00 0.00 175.52 176.47 1r4v h ILE 49 N 0.00 1.20 -0.64 6.82 2.04 -0.61 -0.71 117.51 125.61 1r4v h ILE 49 Ca -0.01 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.33 1r4v h ILE 49 Cb 1.45 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1r4v h ILE 49 CO 0.09 0.22 0.41 -0.33 0.00 0.00 0.00 178.15 178.54 1r4v h GLU 50 N 0.77 0.80 -0.54 2.37 4.39 -1.23 0.27 114.58 121.41 1r4v h GLU 50 Ca 0.20 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1r4v h GLU 50 Cb 0.09 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1r4v h GLU 50 CO -0.03 0.53 0.17 -0.07 -1.16 0.00 0.00 179.01 178.45 1r4v h LEU 51 N 0.82 0.77 0.02 1.33 3.38 -1.36 -0.72 115.31 119.56 1r4v h LEU 51 Ca 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r4v h LEU 51 Cb -0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1r4v h LEU 51 CO -0.08 0.77 -0.02 0.25 0.09 0.00 0.00 178.44 179.45 1r4v h LEU 52 N 0.74 -0.05 -1.19 1.67 5.85 -0.80 -1.86 115.31 119.66 1r4v h LEU 52 Ca 0.17 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1r4v h LEU 52 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1r4v h LEU 52 CO -0.01 -0.03 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.92 1r4v h LEU 53 N -0.05 0.46 -0.86 2.25 3.38 -0.84 -0.15 115.31 119.49 1r4v h LEU 53 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1r4v h LEU 53 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1r4v h LEU 53 CO -0.00 0.57 -0.17 0.78 0.09 0.00 0.00 178.44 179.71 1r4v h ASN 54 N 0.46 0.66 -0.32 -0.43 2.35 -0.91 -0.64 115.58 116.74 1r4v h ASN 54 Ca 0.09 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.49 1r4v h ASN 54 Cb 0.40 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1r4v h ASN 54 CO 0.02 0.84 -0.35 -1.28 -1.65 0.00 0.00 177.43 175.01 1r4v h SER 55 N 0.59 0.87 -0.37 5.81 0.87 -0.82 -1.05 113.55 119.45 1r4v h SER 55 Ca 0.10 -0.48 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1r4v h SER 55 Cb 0.62 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1r4v h SER 55 CO 0.04 1.17 0.24 0.58 -0.53 0.00 0.00 176.83 178.33 1r4v h VAL 56 N 0.58 1.08 -0.46 2.23 2.07 -0.88 -1.28 116.25 119.58 1r4v h VAL 56 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1r4v h VAL 56 Cb 0.93 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1r4v h VAL 56 CO 0.08 0.09 0.20 0.50 0.02 0.00 0.00 177.57 178.46 1r4v h LYS 57 N 0.49 0.68 -0.19 1.57 3.64 -1.04 -0.14 116.57 121.58 1r4v h LYS 57 Ca 0.14 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1r4v h LYS 57 Cb -0.04 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1r4v h LYS 57 CO -0.04 0.60 -0.05 0.00 -2.27 0.00 0.00 179.45 177.69 1r4v h ALA 58 N 1.04 0.12 -0.79 5.00 0.00 -1.02 -2.17 119.26 121.45 1r4v h ALA 58 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1r4v h ALA 58 Cb 0.17 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1r4v h ALA 58 CO -0.02 -0.48 0.52 0.00 0.00 0.00 0.00 179.25 179.28 1r4v h ALA 59 N 1.18 1.00 -0.48 0.00 0.00 -1.03 -1.88 119.26 118.06 1r4v h ALA 59 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r4v h ALA 59 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1r4v h ALA 59 CO -0.20 0.41 0.29 0.35 0.00 0.00 0.00 179.25 180.10 1r4v h PHE 60 N 1.07 0.54 -0.94 0.00 -0.00 -0.89 -1.69 116.94 115.04 1r4v h PHE 60 Ca 0.29 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.29 1r4v h PHE 60 Cb -0.12 -0.18 -0.05 0.00 -0.00 0.00 0.00 35.95 35.61 1r4v h PHE 60 CO -0.02 0.32 0.62 0.78 -0.00 0.00 0.00 178.31 180.01 1r4v h GLY 61 N 0.58 1.33 2.00 2.40 0.00 -0.91 -2.18 103.07 106.29 1r4v h GLY 61 Ca 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1r4v h GLY 61 CO -0.08 0.47 -0.05 0.50 0.00 0.00 0.00 176.54 177.38 1r4v h LYS 62 N 1.26 0.00 0.00 4.80 1.57 -0.53 -2.06 116.57 121.61 1r4v h LYS 62 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1r4v h LYS 62 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1r4v h LYS 62 CO -0.08 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.78 1r4v h LEU 63 N 0.00 0.00 -0.44 2.94 3.38 -0.74 -2.14 115.31 118.32 1r4v h LEU 63 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r4v h LEU 63 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1r4v h LEU 63 CO 0.01 0.00 -0.00 0.49 0.09 0.00 0.00 178.44 179.02 1r4v n PHE 64 N -2.80 0.00 -1.68 1.13 3.01 -0.77 -0.10 117.46 116.24 1r4v n PHE 64 Ca -0.00 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.01 1r4v n PHE 64 Cb 0.19 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 1r4v n PHE 64 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1r4v n TYR 65 N -0.48 2.49 -0.50 1.38 9.36 -0.80 -1.69 117.16 126.92 1r4v n TYR 65 Ca 0.21 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1r4v n TYR 65 Cb 0.23 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.25 1r4v n TYR 65 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1r4v n GLY 66 N 4.12 1.71 0.23 2.98 0.00 -1.26 -4.27 105.19 108.71 1r4v n GLY 66 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1r4v n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4v h ALA 67 N 0.00 0.55 -0.85 4.61 0.00 -1.45 -1.94 119.26 120.19 1r4v h ALA 67 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r4v h ALA 67 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1r4v h ALA 67 CO 0.00 0.43 0.46 0.93 0.00 0.00 0.00 179.25 181.07 1r4v h GLU 68 N 0.58 1.18 -0.37 0.00 5.08 -1.87 -0.74 114.58 118.45 1r4v h GLU 68 Ca 0.10 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1r4v h GLU 68 Cb 0.64 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1r4v h GLU 68 CO 0.04 0.87 0.12 0.37 -1.00 0.00 0.00 179.01 179.41 1r4v h GLN 69 N 1.18 0.56 -0.57 2.33 5.75 -1.91 -0.62 115.11 121.84 1r4v h GLN 69 Ca 0.30 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1r4v h GLN 69 Cb 0.03 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1r4v h GLN 69 CO -0.05 0.57 0.23 0.00 -2.65 0.00 0.00 178.83 176.94 1r4v h ARG 70 N 0.44 0.84 -0.31 1.69 3.08 -1.18 -0.83 114.38 118.12 1r4v h ARG 70 Ca 0.12 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1r4v h ARG 70 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1r4v h ARG 70 CO -0.01 0.72 0.20 0.00 -1.07 0.00 0.00 179.97 179.82 1r4v h ALA 71 N 1.08 0.39 -0.91 0.04 0.00 -0.94 -2.35 119.26 116.57 1r4v h ALA 71 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1r4v h ALA 71 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1r4v h ALA 71 CO -0.02 -0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.61 1r4v h ARG 72 N 0.41 1.26 0.00 0.00 3.08 -0.78 -1.70 114.38 116.66 1r4v h ARG 72 Ca 0.11 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1r4v h ARG 72 Cb -0.03 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.76 1r4v h ARG 72 CO -0.02 0.91 -0.12 -1.49 -1.07 0.00 0.00 179.97 178.18 1r4v h TRP 73 N 1.27 0.00 -0.05 3.04 6.55 -0.86 -1.35 115.95 124.55 1r4v h TRP 73 Ca 0.32 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.16 1r4v h TRP 73 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1r4v h TRP 73 CO 0.01 0.12 0.00 0.09 -1.05 0.00 0.00 178.44 177.61 1r4v n ASN 74 N -3.56 1.26 0.00 -3.49 3.02 -0.71 -4.94 115.26 106.84 1r4v n ASN 74 Ca -0.02 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1r4v n ASN 74 Cb 0.25 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1r4v n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r4v n GLY 75 N 1.12 0.60 3.89 7.41 0.00 -0.51 -5.02 105.19 112.68 1r4v n GLY 75 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1r4v n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4v s ARG 76 N -0.13 3.69 -0.15 1.61 0.52 -0.77 -5.00 118.95 118.70 1r4v s ARG 76 Ca 0.00 0.33 0.18 0.00 -0.52 0.00 0.00 55.73 55.72 1r4v s ARG 76 Cb 0.00 -2.42 0.40 0.00 0.52 0.00 0.00 34.95 33.45 1r4v s ARG 76 CO 0.00 -0.05 1.27 -3.47 0.02 0.00 0.00 175.30 173.07 1r4v n ASP 77 N -1.54 3.00 -3.78 0.23 2.03 -1.26 -4.09 116.55 111.14 1r4v n ASP 77 Ca 0.01 -3.08 -0.10 0.00 0.52 0.00 0.00 54.79 52.15 1r4v n ASP 77 Cb 0.54 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 40.39 1r4v n ASP 77 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1r4v s PHE 78 N -2.87 0.00 -0.11 -0.67 -0.12 -1.26 -4.22 117.98 108.74 1r4v s PHE 78 Ca 0.37 -0.31 -0.21 0.00 -0.05 0.00 0.00 56.93 56.73 1r4v s PHE 78 Cb 0.31 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1r4v s PHE 78 CO 0.05 -0.55 0.62 0.42 -0.05 0.00 0.00 175.22 175.71 1r4v s ILE 79 N -3.35 5.08 0.33 -4.49 1.01 0.30 -4.82 121.20 115.26 1r4v s ILE 79 Ca 0.01 1.25 0.07 0.00 0.00 0.00 0.00 60.65 61.98 1r4v s ILE 79 Cb 0.02 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1r4v s ILE 79 CO -0.08 0.25 0.35 0.00 0.00 0.00 0.00 174.94 175.46 1r4v s ALA 80 N 0.96 3.98 0.25 9.38 0.00 -1.26 -1.15 121.76 133.91 1r4v s ALA 80 Ca 0.32 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 1r4v s ALA 80 Cb -0.17 -1.36 0.45 0.00 0.00 0.00 0.00 23.12 22.05 1r4v s ALA 80 CO 0.14 0.00 1.79 1.25 0.00 0.00 0.00 175.76 178.95 1r4v h LEU 81 N 1.13 0.63 -2.64 0.00 5.85 -1.94 -1.32 115.31 117.02 1r4v h LEU 81 Ca -0.45 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1r4v h LEU 81 Cb 1.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1r4v h LEU 81 CO 0.57 0.33 0.08 0.00 -0.34 0.00 0.00 178.44 179.07 1r4v h ALA 82 N 1.49 1.26 0.00 1.25 0.00 -2.03 -2.01 119.26 119.23 1r4v h ALA 82 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1r4v h ALA 82 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1r4v h ALA 82 CO -0.29 -0.09 -0.42 -0.25 0.00 0.00 0.00 179.25 178.20 1r4v n ASP 83 N -3.31 0.53 -4.84 0.00 8.00 -0.50 -4.95 116.55 111.49 1r4v n ASP 83 Ca -0.02 0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 1r4v n ASP 83 Cb 0.15 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1r4v n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r4v s LEU 84 N -3.65 3.19 -0.20 0.64 1.43 -0.76 -3.93 118.68 115.40 1r4v s LEU 84 Ca 0.09 1.55 -0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1r4v s LEU 84 Cb 0.16 -4.49 0.15 0.00 0.03 0.00 0.00 46.19 42.03 1r4v s LEU 84 CO 0.67 -1.21 1.93 -3.20 0.23 0.00 0.00 176.35 174.77 1r4v n ASN 85 N -2.91 5.75 -4.70 2.29 5.15 0.86 -4.94 115.26 116.76 1r4v n ASN 85 Ca 0.07 -2.80 -0.42 0.00 -0.60 0.00 0.00 54.58 50.83 1r4v n ASN 85 Cb 0.54 -1.03 -0.03 0.00 -0.53 0.00 0.00 39.78 38.73 1r4v n ASN 85 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1r4v s ILE 86 N -1.44 4.82 0.54 -1.44 1.01 -1.26 -4.86 121.20 118.57 1r4v s ILE 86 Ca 0.20 2.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.85 1r4v s ILE 86 Cb 0.16 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1r4v s ILE 86 CO 0.00 0.06 0.82 0.42 0.00 0.00 0.00 174.94 176.25 1r4v s THR 87 N 1.63 3.82 0.28 2.92 -4.23 -1.26 -4.93 115.64 113.88 1r4v s THR 87 Ca 0.50 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1r4v s THR 87 Cb -0.19 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.45 1r4v s THR 87 CO 0.22 -0.44 1.86 0.11 -0.54 0.00 0.00 174.62 175.82 1r4v h LYS 88 N 0.03 1.02 -0.15 3.99 1.79 -1.98 -0.61 116.57 120.65 1r4v h LYS 88 Ca -0.46 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1r4v h LYS 88 Cb 1.25 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1r4v h LYS 88 CO 0.60 0.67 0.07 0.00 -1.08 0.00 0.00 179.45 179.71 1r4v h ALA 89 N 1.51 0.19 -0.66 3.86 0.00 -2.00 -2.02 119.26 120.14 1r4v h ALA 89 Ca 0.47 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1r4v h ALA 89 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1r4v h ALA 89 CO -0.22 -0.24 0.09 1.25 0.00 0.00 0.00 179.25 180.12 1r4v h LEU 90 N 0.12 1.06 -0.99 0.00 5.85 -1.84 -2.83 115.31 116.68 1r4v h LEU 90 Ca 0.05 -0.26 0.17 0.00 0.84 0.00 0.00 57.88 58.68 1r4v h LEU 90 Cb 0.12 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 40.77 1r4v h LEU 90 CO -0.01 1.06 0.60 -0.33 -0.34 0.00 0.00 178.44 179.43 1r4v h GLU 91 N 1.03 0.78 -0.26 1.25 5.08 -0.92 0.40 114.58 121.93 1r4v h GLU 91 Ca 0.20 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1r4v h GLU 91 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1r4v h GLU 91 CO 0.02 0.52 0.07 1.49 -1.00 0.00 0.00 179.01 180.10 1r4v h GLU 92 N 0.80 0.41 -0.96 2.33 4.81 -1.13 -0.75 114.58 120.08 1r4v h GLU 92 Ca 0.55 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.72 1r4v h GLU 92 Cb 0.79 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 1r4v h GLU 92 CO -0.36 0.49 0.63 0.45 -0.73 0.00 0.00 179.01 179.50 1r4v h HIS 93 N 0.25 1.19 -0.24 0.92 3.86 -1.18 -0.58 115.15 119.38 1r4v h HIS 93 Ca 0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1r4v h HIS 93 Cb 0.26 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1r4v h HIS 93 CO 0.01 0.70 0.08 0.82 0.86 0.00 0.00 177.93 180.40 1r4v h ILE 94 N 1.24 1.18 -0.68 2.45 2.04 -0.74 -0.28 117.51 122.72 1r4v h ILE 94 Ca 0.38 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1r4v h ILE 94 Cb -0.04 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1r4v h ILE 94 CO -0.11 0.19 0.44 0.11 0.00 0.00 0.00 178.15 178.77 1r4v h LYS 95 N 0.22 0.86 -0.76 2.37 1.57 -0.92 -1.91 116.57 117.99 1r4v h LYS 95 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1r4v h LYS 95 Cb 0.21 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1r4v h LYS 95 CO -0.00 0.57 0.33 -0.91 -0.57 0.00 0.00 179.45 178.87 1r4v h ASN 96 N 0.88 1.01 -0.74 0.86 2.35 -0.92 -2.79 115.58 116.24 1r4v h ASN 96 Ca 0.26 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1r4v h ASN 96 Cb -0.06 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 1r4v h ASN 96 CO -0.07 0.88 0.45 0.15 -1.65 0.00 0.00 177.43 177.18 1r4v h PHE 97 N 1.09 0.98 0.00 1.19 3.57 -0.61 -2.77 116.94 120.40 1r4v h PHE 97 Ca 0.26 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1r4v h PHE 97 Cb 0.16 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1r4v h PHE 97 CO 0.02 0.66 -0.09 1.96 -2.23 0.00 0.00 178.31 178.63 1r4v h GLN 98 N 1.01 0.00 -0.10 1.11 4.20 -1.09 -1.61 115.11 118.64 1r4v h GLN 98 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1r4v h GLN 98 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1r4v h GLN 98 CO -0.05 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 178.56 1r4v n LYS 99 N -3.61 1.57 -2.88 1.46 2.85 -1.05 -4.86 118.16 111.64 1r4v n LYS 99 Ca -0.02 -0.84 -0.41 0.00 -1.05 0.00 0.00 58.31 55.99 1r4v n LYS 99 Cb 0.21 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 33.15 1r4v n LYS 99 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1r4v s ILE 100 N -1.88 4.94 -0.06 0.58 1.01 -0.61 -4.97 121.20 120.21 1r4v s ILE 100 Ca 0.34 1.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.64 1r4v s ILE 100 Cb 0.18 -4.17 -0.29 0.00 0.01 0.00 0.00 42.46 38.19 1r4v s ILE 100 CO 0.28 0.17 0.61 -0.33 0.00 0.00 0.00 174.94 175.67 1r4v h GLU 101 N 6.89 0.32 -6.88 2.79 5.08 -1.89 -3.47 114.58 117.43 1r4v h GLU 101 Ca -0.38 -0.55 -0.53 0.00 -1.00 0.00 0.00 59.36 56.89 1r4v h GLU 101 Cb 1.19 0.21 0.08 0.00 0.50 0.00 0.00 28.75 30.73 1r4v h GLU 101 CO 0.77 1.23 0.74 -1.14 -1.00 0.00 0.00 179.01 179.61 1r4v s GLN 102 N -2.58 4.22 0.88 2.33 0.74 -1.26 -5.20 119.66 118.80 1r4v s GLN 102 Ca -0.16 2.40 -0.14 0.00 0.05 0.00 0.00 55.36 57.51 1r4v s GLN 102 Cb 0.06 -3.03 0.14 0.00 1.10 0.00 0.00 33.01 31.27 1r4v s GLN 102 CO 0.83 -0.40 1.24 0.34 -0.55 0.00 0.00 175.29 176.75 1r4v s ASP 103 N -0.12 3.84 -0.02 6.67 3.68 -1.26 -5.08 116.67 124.38 1r4v s ASP 103 Ca 0.53 0.52 0.03 0.00 2.13 0.00 0.00 52.55 55.77 1r4v s ASP 103 Cb -0.43 -0.80 0.05 0.00 -1.45 0.00 0.00 42.92 40.29 1r4v s ASP 103 CO 0.55 -2.30 0.88 0.61 0.13 0.00 0.00 175.17 175.04 1r4v n GLY 105 N -3.52 1.26 0.37 2.66 0.00 -1.26 -4.82 105.19 99.86 1r4v n GLY 105 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1r4v n GLY 105 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r4v h VAL 106 N 1.78 1.17 -0.76 1.61 2.07 -1.96 0.22 116.25 120.38 1r4v h VAL 106 Ca 0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1r4v h VAL 106 Cb 0.85 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1r4v h VAL 106 CO 0.00 0.22 0.27 0.44 0.02 0.00 0.00 177.57 178.53 1r4v h ASP 107 N 1.23 1.07 0.12 0.57 3.45 -2.00 0.11 116.42 120.97 1r4v h ASP 107 Ca 0.39 -0.18 -0.21 0.00 0.43 0.00 0.00 57.03 57.46 1r4v h ASP 107 Cb 0.01 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 1r4v h ASP 107 CO -0.13 0.97 -0.78 -0.33 -1.57 0.00 0.00 179.24 177.40 1r4v h GLU 108 N 1.11 0.55 -0.14 3.56 3.07 -1.64 -3.12 114.58 117.98 1r4v h GLU 108 Ca 0.25 -0.47 -0.12 0.00 -0.50 0.00 0.00 59.36 58.52 1r4v h GLU 108 Cb 0.26 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1r4v h GLU 108 CO -0.01 1.09 -0.45 -0.07 -1.40 0.00 0.00 179.01 178.17 1r4v h LEU 109 N 0.37 0.36 -0.19 1.33 3.38 -0.13 -1.10 115.31 119.32 1r4v h LEU 109 Ca -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r4v h LEU 109 Cb 1.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1r4v h LEU 109 CO 0.14 0.77 0.13 0.25 0.09 0.00 0.00 178.44 179.82 1r4v h LEU 110 N 0.27 0.22 -0.71 1.67 6.46 -0.81 -0.92 115.31 121.48 1r4v h LEU 110 Ca 0.02 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1r4v h LEU 110 Cb 0.91 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1r4v h LEU 110 CO 0.08 0.16 0.23 -0.08 -0.62 0.00 0.00 178.44 178.21 1r4v h GLU 111 N 0.26 1.10 -0.53 1.25 4.81 -1.44 -3.06 114.58 116.97 1r4v h GLU 111 Ca 0.07 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1r4v h GLU 111 Cb -0.03 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1r4v h GLU 111 CO -0.02 0.94 0.29 -0.92 -0.73 0.00 0.00 179.01 178.57 1r4v h TYR 112 N 1.04 0.54 0.00 0.92 3.20 -0.81 -2.71 116.97 119.14 1r4v h TYR 112 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1r4v h TYR 112 Cb 0.29 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1r4v h TYR 112 CO 0.02 0.28 0.00 -0.84 -1.64 0.00 0.00 178.16 175.98 1r4v h ILE 113 N 0.57 0.00 -6.11 1.81 3.07 -1.07 -3.47 117.51 112.30 1r4v h ILE 113 Ca 0.23 -0.32 -0.41 0.00 1.55 0.00 0.00 64.86 65.91 1r4v h ILE 113 Cb 0.10 1.13 0.09 0.00 -0.27 0.00 0.00 36.82 37.87 1r4v h ILE 113 CO -0.14 0.00 -0.91 0.00 -1.05 0.00 0.00 178.15 176.05 1r4v n ALA 114 N -1.87 -2.42 -2.13 0.16 0.00 -1.03 -4.86 120.51 108.37 1r4v n ALA 114 Ca 0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1r4v n ALA 114 Cb 0.25 -3.84 -0.03 0.00 0.00 0.00 0.00 19.45 15.84 1r4v n ALA 114 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1r4v s PHE 115 N -3.53 3.35 -0.23 0.00 2.19 -1.26 -5.02 117.98 113.48 1r4v s PHE 115 Ca 0.36 1.26 -0.00 0.00 0.33 0.00 0.00 56.93 58.88 1r4v s PHE 115 Cb -0.11 -3.52 0.07 0.00 -1.31 0.00 0.00 43.02 38.14 1r4v s PHE 115 CO 0.84 -1.61 -0.01 0.42 1.83 0.00 0.00 175.22 176.69 1r4v s ILE 116 N 0.40 1.19 0.48 3.12 1.01 -1.26 -5.13 121.20 121.01 1r4v s ILE 116 Ca 0.57 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1r4v s ILE 116 Cb -0.34 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 1r4v s ILE 116 CO 0.35 -0.20 1.25 -2.16 0.00 0.00 0.00 174.94 174.17 1r4v s PRO 117 N 1.54 3.60 -1.44 2.79 0.04 -1.26 -4.88 135.00 135.39 1r4v s PRO 117 Ca -0.02 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 1r4v s PRO 117 Cb -0.18 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 1r4v s PRO 117 CO -0.09 -0.74 3.01 -0.35 0.04 0.00 0.00 177.00 178.87 1r4v n PRO 118 N -0.55 3.57 -4.13 0.56 -0.04 -1.26 -4.84 135.00 128.31 1r4v n PRO 118 Ca 0.08 -2.14 -0.10 0.00 -0.04 0.00 0.00 63.50 61.30 1r4v n PRO 118 Cb 0.46 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 1r4v n PRO 118 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1r4v s VAL 119 N 1.86 0.54 -0.49 0.52 -7.23 -1.26 -5.03 120.40 109.30 1r4v s VAL 119 Ca 0.69 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1r4v s VAL 119 Cb 0.20 -1.50 0.27 0.00 0.56 0.00 0.00 36.38 35.91 1r4v s VAL 119 CO -0.06 -0.85 2.14 -0.62 -0.31 0.00 0.00 175.10 175.40 1r4v n GLU 120 N 0.18 2.24 -3.65 4.82 -0.58 -1.26 -5.11 120.64 117.29 1r4v n GLU 120 Ca -0.14 -2.37 -0.37 0.00 -0.42 0.00 0.00 57.16 53.86 1r4v n GLU 120 Cb 0.60 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 1r4v n GLU 120 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1r4v s ASN 122 N -0.51 6.60 -0.21 1.62 2.47 -1.26 -5.17 114.94 118.47 1r4v s ASN 122 Ca 0.47 0.71 -0.13 0.00 0.42 0.00 0.00 52.86 54.34 1r4v s ASN 122 Cb 0.36 -2.17 -0.05 0.00 -1.45 0.00 0.00 41.25 37.94 1r4v s ASN 122 CO -0.07 0.32 0.26 -0.69 -3.72 0.00 0.00 177.10 173.20 1r4v s VAL 123 N -0.82 5.30 0.55 -5.21 1.01 -1.26 -0.54 120.40 119.43 1r4v s VAL 123 Ca 0.19 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1r4v s VAL 123 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1r4v s VAL 123 CO 0.08 0.32 1.34 -0.83 0.00 0.00 0.00 175.10 176.02 1r4v s GLY 124 N 0.92 2.88 0.39 4.51 0.00 -0.30 -4.81 107.32 110.91 1r4v s GLY 124 Ca 0.13 1.30 0.08 0.00 0.00 0.00 0.00 44.72 46.23 1r4v s GLY 124 CO 0.05 1.80 1.97 0.83 0.00 0.00 0.00 173.10 177.75 1r4v h GLU 125 N 1.37 0.37 -0.31 2.90 4.39 -1.97 -1.11 114.58 120.21 1r4v h GLU 125 Ca -0.51 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.05 1r4v h GLU 125 Cb 1.30 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1r4v h GLU 125 CO 0.57 0.38 -0.15 -0.44 -1.16 0.00 0.00 179.01 178.21 1r4v h ASP 126 N 0.36 0.54 -0.20 1.42 3.32 -1.95 -0.77 116.42 119.14 1r4v h ASP 126 Ca 0.08 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1r4v h ASP 126 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1r4v h ASP 126 CO 0.00 0.71 -0.08 0.25 -1.72 0.00 0.00 179.24 178.40 1r4v h LEU 127 N 0.50 0.42 -0.92 1.55 5.85 -1.68 -3.09 115.31 117.94 1r4v h LEU 127 Ca 0.09 -0.39 0.17 0.00 0.84 0.00 0.00 57.88 58.58 1r4v h LEU 127 Cb 0.54 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1r4v h LEU 127 CO 0.03 0.72 0.51 0.11 -0.34 0.00 0.00 178.44 179.48 1r4v h LYS 128 N 0.12 0.66 0.00 1.25 1.79 -0.77 0.31 116.57 119.93 1r4v h LYS 128 Ca 0.05 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1r4v h LYS 128 Cb 0.55 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1r4v h LYS 128 CO 0.03 0.44 -0.01 0.77 -1.08 0.00 0.00 179.45 179.60 1r4v h SER 129 N 0.68 0.00 0.11 0.86 0.02 -1.07 -2.22 113.55 111.93 1r4v h SER 129 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1r4v h SER 129 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1r4v h SER 129 CO -0.38 0.01 -0.13 -0.62 -1.14 0.00 0.00 176.83 174.56 1r4v n GLU 130 N -3.24 1.26 0.04 3.45 -0.58 0.11 -4.43 120.64 117.25 1r4v n GLU 130 Ca -0.03 -0.75 0.04 0.00 -0.42 0.00 0.00 57.16 56.01 1r4v n GLU 130 Cb 0.11 -1.48 0.45 0.00 -0.57 0.00 0.00 31.44 29.95 1r4v n GLU 130 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1r4v h TYR 131 N 1.84 0.44 -0.50 -0.32 -1.99 -1.30 -1.77 116.97 113.37 1r4v h TYR 131 Ca 0.00 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 1r4v h TYR 131 Cb 0.52 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1r4v h TYR 131 CO 0.00 0.28 0.01 0.07 -0.00 0.00 0.00 178.16 178.52 1r4v h ARG 132 N 0.47 0.83 -0.35 4.88 0.11 -1.81 -3.02 114.38 115.50 1r4v h ARG 132 Ca 0.13 -0.22 -0.16 0.00 0.10 0.00 0.00 59.98 59.82 1r4v h ARG 132 Cb -0.05 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 30.93 1r4v h ARG 132 CO -0.03 0.83 -0.41 -0.91 0.10 0.00 0.00 179.97 179.55 1r4v h ASN 133 N 0.78 0.98 0.00 0.08 2.35 -1.66 -0.68 115.58 117.43 1r4v h ASN 133 Ca 0.15 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1r4v h ASN 133 Cb 0.45 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1r4v h ASN 133 CO 0.02 1.26 0.00 -0.38 -1.65 0.00 0.00 177.43 176.68 1r4v n ILE 134 N -4.07 0.00 0.00 2.81 5.41 -0.75 -1.35 119.36 121.42 1r4v n ILE 134 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1r4v n ILE 134 Cb 0.56 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 1r4v n ILE 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r4v n GLY 136 N 0.33 0.00 0.31 7.39 0.00 -0.26 -1.07 105.19 111.89 1r4v n GLY 136 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1r4v n GLY 136 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r4v h GLY 137 N 0.00 1.15 1.45 -0.02 0.00 -1.41 -2.02 103.07 102.22 1r4v h GLY 137 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1r4v h GLY 137 CO 0.00 0.51 -0.07 1.41 0.00 0.00 0.00 176.54 178.40 1r4v h LEU 138 N 1.06 0.64 -0.33 3.11 3.38 -1.36 -3.00 115.31 118.82 1r4v h LEU 138 Ca 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1r4v h LEU 138 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1r4v h LEU 138 CO -0.04 0.76 -0.01 -0.07 0.09 0.00 0.00 178.44 179.17 1r4v h LEU 139 N 0.62 0.58 -1.94 1.67 3.38 -1.77 -1.53 115.31 116.32 1r4v h LEU 139 Ca 0.12 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1r4v h LEU 139 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r4v h LEU 139 CO 0.03 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1r4v n LEU 140 N -4.52 0.97 0.00 1.67 4.77 -0.78 -1.28 117.00 117.84 1r4v n LEU 140 Ca -0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1r4v n LEU 140 Cb 0.28 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1r4v n LEU 140 CO 0.40 0.16 0.00 1.41 -1.33 0.00 0.00 177.39 178.03 1r4v n HIS 142 N 0.80 0.00 -0.38 -1.77 8.25 -0.58 -1.94 115.22 119.60 1r4v n HIS 142 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1r4v n HIS 142 Cb 0.16 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.39 1r4v n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r4v h ALA 143 N 0.00 1.29 -0.32 -1.41 0.00 -1.46 0.60 119.26 117.96 1r4v h ALA 143 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r4v h ALA 143 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1r4v h ALA 143 CO 0.00 0.63 0.15 0.22 0.00 0.00 0.00 179.25 180.25 1r4v h ASP 144 N 1.34 0.43 -0.45 0.00 3.58 -1.67 -2.18 116.42 117.46 1r4v h ASP 144 Ca 0.38 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 1r4v h ASP 144 Cb -0.12 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1r4v h ASP 144 CO -0.09 0.44 -0.15 0.58 -2.88 0.00 0.00 179.24 177.14 1r4v h VAL 145 N 0.38 1.27 -0.27 2.25 2.07 -1.75 -1.82 116.25 118.38 1r4v h VAL 145 Ca 0.11 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1r4v h VAL 145 Cb 0.13 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1r4v h VAL 145 CO -0.01 0.44 0.01 0.40 0.02 0.00 0.00 177.57 178.43 1r4v h ILE 146 N 0.74 0.81 -0.46 4.57 2.04 -0.67 0.14 117.51 124.68 1r4v h ILE 146 Ca 0.11 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1r4v h ILE 146 Cb 0.71 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1r4v h ILE 146 CO 0.05 0.02 0.07 0.11 0.00 0.00 0.00 178.15 178.40 1r4v h LYS 147 N 0.09 0.71 0.00 2.37 1.57 -1.30 -1.47 116.57 118.55 1r4v h LYS 147 Ca 0.13 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1r4v h LYS 147 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1r4v h LYS 147 CO -0.21 0.68 -0.42 1.63 -0.57 0.00 0.00 179.45 180.56 1r4v n LYS 148 N -4.27 0.28 -0.01 3.15 5.02 -0.69 -4.54 118.16 117.10 1r4v n LYS 148 Ca 0.03 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1r4v n LYS 148 Cb 0.24 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 1r4v n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r4v n ALA 149 N -1.81 1.96 0.02 7.82 0.00 0.44 -4.87 120.51 124.07 1r4v n ALA 149 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1r4v n ALA 149 Cb 0.44 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 1r4v n ALA 149 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1r4v h THR 150 N 0.00 0.87 0.00 0.00 1.35 -1.46 -3.48 112.91 110.19 1r4v h THR 150 Ca -0.07 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1r4v h THR 150 Cb 0.99 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1r4v h THR 150 CO 0.00 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1r4v n GLY 151 N 1.76 0.38 2.99 5.82 0.00 -1.26 -5.01 105.19 109.87 1r4v n GLY 151 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1r4v n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4v s GLU 152 N -0.62 2.00 0.38 1.61 2.02 -1.26 -5.01 118.70 117.82 1r4v s GLU 152 Ca 0.00 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.59 1r4v s GLU 152 Cb 0.00 -1.85 0.78 0.00 0.10 0.00 0.00 34.13 33.16 1r4v s GLU 152 CO 0.00 -0.19 2.02 -0.09 0.02 0.00 0.00 175.26 177.02 1r4v h ARG 153 N 7.88 0.66 -3.53 1.61 2.43 -1.95 -3.31 114.38 118.17 1r4v h ARG 153 Ca -0.34 -0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.09 1r4v h ARG 153 Cb 1.15 -0.15 -0.35 0.00 -0.42 0.00 0.00 29.97 30.20 1r4v h ARG 153 CO 0.48 0.43 -0.31 0.21 -1.51 0.00 0.00 179.97 179.28 1r4v s LYS 154 N -5.59 2.71 0.36 0.20 2.20 -1.26 -0.79 119.74 117.58 1r4v s LYS 154 Ca -0.09 -2.65 -0.28 0.00 -0.36 0.00 0.00 55.97 52.59 1r4v s LYS 154 Cb 0.18 -3.79 -0.11 0.00 -1.51 0.00 0.00 37.83 32.60 1r4v s LYS 154 CO 0.75 -1.19 1.50 -2.14 -0.36 0.00 0.00 175.35 173.90 1r4v s PRO 155 N -0.26 4.12 0.89 4.03 0.02 -1.25 -5.01 135.00 137.54 1r4v s PRO 155 Ca 0.19 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 1r4v s PRO 155 Cb -0.18 -2.98 0.12 0.00 0.02 0.00 0.00 34.50 31.48 1r4v s PRO 155 CO -0.05 -0.54 1.14 -1.54 -0.33 0.00 0.00 177.00 175.68 1r4v s SER 156 N -0.05 3.74 0.14 2.53 1.04 -1.26 -4.95 113.70 114.89 1r4v s SER 156 Ca 0.54 0.99 -0.21 0.00 0.48 0.00 0.00 55.95 57.75 1r4v s SER 156 Cb -0.46 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.10 1r4v s SER 156 CO 0.61 -2.41 1.66 -0.09 0.98 0.00 0.00 173.24 173.98 1r4v h ARG 157 N -1.40 -0.16 -0.70 4.02 2.43 -1.97 -2.71 114.38 113.89 1r4v h ARG 157 Ca -0.50 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1r4v h ARG 157 Cb 1.32 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1r4v h ARG 157 CO 0.62 -0.11 0.37 0.93 -1.51 0.00 0.00 179.97 180.28 1r4v h GLU 158 N -0.17 0.97 -0.01 0.20 4.39 -2.03 -0.13 114.58 117.81 1r4v h GLU 158 Ca 0.13 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1r4v h GLU 158 Cb 0.36 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1r4v h GLU 158 CO -0.32 0.72 0.00 0.00 -1.16 0.00 0.00 179.01 178.25 1r4v n ALA 159 N -2.43 1.06 0.00 3.43 0.00 -1.02 -1.35 120.51 120.19 1r4v n ALA 159 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1r4v n ALA 159 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1r4v n ALA 159 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r4v n GLU 161 N 0.39 0.00 -0.19 0.00 1.02 -0.06 -1.49 120.64 120.31 1r4v n GLU 161 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1r4v n GLU 161 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1r4v n GLU 161 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1r4v h PHE 162 N 0.00 1.01 -0.26 -0.32 3.57 -1.47 -2.52 116.94 116.95 1r4v h PHE 162 Ca 0.00 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.37 1r4v h PHE 162 Cb 0.00 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1r4v h PHE 162 CO 0.00 0.91 0.04 0.28 -2.23 0.00 0.00 178.31 177.31 1r4v h VAL 163 N 0.81 0.87 -0.94 1.41 2.07 -1.54 -1.75 116.25 117.18 1r4v h VAL 163 Ca 0.16 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1r4v h VAL 163 Cb 0.49 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1r4v h VAL 163 CO 0.02 0.02 0.59 0.00 0.02 0.00 0.00 177.57 178.22 1r4v h ALA 164 N 1.19 1.34 -0.17 1.67 0.00 -1.83 -0.37 119.26 121.09 1r4v h ALA 164 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r4v h ALA 164 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1r4v h ALA 164 CO -0.17 0.29 0.11 1.96 0.00 0.00 0.00 179.25 181.44 1r4v h GLN 165 N 1.01 0.23 0.00 0.00 4.20 -1.07 -1.55 115.11 117.93 1r4v h GLN 165 Ca 0.43 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.97 1r4v h GLN 165 Cb 0.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1r4v h GLN 165 CO -0.21 0.18 -0.73 -0.84 -0.67 0.00 0.00 178.83 176.57 1r4v h ILE 166 N 0.21 1.47 -0.26 2.54 3.07 -0.94 -3.04 117.51 120.56 1r4v h ILE 166 Ca 0.06 -2.53 -0.02 0.00 1.55 0.00 0.00 64.86 63.92 1r4v h ILE 166 Cb 0.01 2.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.93 1r4v h ILE 166 CO -0.01 0.71 0.07 0.58 -1.05 0.00 0.00 178.15 178.44 1r4v h VAL 167 N 0.00 1.21 -0.92 0.16 2.07 -1.05 -2.95 116.25 114.77 1r4v h VAL 167 Ca -0.01 -0.69 0.22 0.00 0.82 0.00 0.00 66.70 67.05 1r4v h VAL 167 Cb 1.32 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1r4v h VAL 167 CO 0.09 0.22 0.62 -0.78 0.02 0.00 0.00 177.57 177.74 1r4v h ASP 168 N 0.25 0.35 0.04 0.57 3.58 -1.17 -1.20 116.42 118.83 1r4v h ASP 168 Ca 0.08 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1r4v h ASP 168 Cb 0.28 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1r4v h ASP 168 CO 0.00 0.13 0.00 0.29 -2.88 0.00 0.00 179.24 176.78 1r4v n LYS 169 N -4.49 0.91 -0.01 0.28 4.76 -1.12 -3.03 118.16 115.46 1r4v n LYS 169 Ca 0.20 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.67 1r4v n LYS 169 Cb 0.77 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.49 1r4v n LYS 169 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1r4v n VAL 170 N -1.02 0.15 0.28 -0.18 0.24 -0.47 -5.12 118.33 112.21 1r4v n VAL 170 Ca 0.22 -0.58 0.03 0.00 -2.04 0.00 0.00 64.34 61.98 1r4v n VAL 170 Cb 0.11 1.03 0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1r4v n VAL 170 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18