#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4m s TYR 3 N 0.00 -0.21 0.34 0.54 5.04 -1.26 -5.14 117.35 116.66 1u4m s TYR 3 Ca 0.00 -0.05 -0.28 0.00 -2.44 0.00 0.00 57.07 54.30 1u4m s TYR 3 Cb 0.00 0.61 -0.12 0.00 0.35 0.00 0.00 41.96 42.80 1u4m s TYR 3 CO 0.00 -0.78 1.39 0.45 -1.34 0.00 0.00 175.55 175.28 1u4m n SER 4 N -0.40 3.23 -0.86 4.32 2.88 -1.26 -4.86 113.62 116.66 1u4m n SER 4 Ca -0.07 1.21 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 1u4m n SER 4 Cb 0.61 -1.54 0.26 0.00 -0.75 0.00 0.00 64.21 62.79 1u4m n SER 4 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1u4m n SER 5 N 0.84 2.54 -4.92 -3.46 3.41 -1.26 -4.87 113.62 105.91 1u4m n SER 5 Ca 0.04 -1.92 -0.26 0.00 -0.26 0.00 0.00 58.87 56.47 1u4m n SER 5 Cb 0.37 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1u4m n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u4m s ASP 6 N -1.25 6.31 0.70 4.04 1.11 -1.26 -5.05 116.67 121.27 1u4m s ASP 6 Ca 0.34 0.74 -0.15 0.00 0.18 0.00 0.00 52.55 53.65 1u4m s ASP 6 Cb 0.18 -2.16 0.02 0.00 1.07 0.00 0.00 42.92 42.04 1u4m s ASP 6 CO 0.25 -0.42 1.18 0.42 1.18 0.00 0.00 175.17 177.78 1u4m s THR 7 N -2.49 2.58 -0.03 -1.27 -4.23 -1.26 -5.04 115.64 103.90 1u4m s THR 7 Ca 0.44 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 1u4m s THR 7 Cb -0.10 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1u4m s THR 7 CO 0.39 -0.15 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.33 1u4m s THR 8 N -2.04 0.91 0.23 3.99 2.01 -1.26 -5.13 115.64 114.34 1u4m s THR 8 Ca 0.73 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1u4m s THR 8 Cb -0.27 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.36 1u4m s THR 8 CO 0.43 0.28 1.15 -2.16 -0.69 0.00 0.00 174.62 173.63 1u4m s PRO 9 N 0.13 4.55 0.13 4.92 0.04 -1.26 -5.05 135.00 138.47 1u4m s PRO 9 Ca -0.03 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.89 1u4m s PRO 9 Cb -0.09 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1u4m s PRO 9 CO 0.01 0.04 -0.10 0.00 0.04 0.00 0.00 177.00 176.99 1u4m n PHE 12 N 2.63 0.00 -3.59 0.00 3.72 -1.26 -4.56 117.46 114.40 1u4m n PHE 12 Ca -0.17 -0.23 -0.14 0.00 -0.05 0.00 0.00 57.45 56.85 1u4m n PHE 12 Cb 0.52 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.98 1u4m n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4m s ALA 13 N -0.47 -1.32 -0.04 4.37 0.00 -1.26 -5.16 121.76 117.88 1u4m s ALA 13 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1u4m s ALA 13 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1u4m s ALA 13 CO 0.00 -0.45 -0.24 0.71 0.00 0.00 0.00 175.76 175.78 1u4m s TYR 14 N -2.12 2.43 0.20 0.00 2.02 -1.26 -4.62 117.35 113.99 1u4m s TYR 14 Ca -0.07 -0.48 -0.32 0.00 -0.37 0.00 0.00 57.07 55.83 1u4m s TYR 14 Cb -0.01 -1.56 -0.12 0.00 -0.40 0.00 0.00 41.96 39.87 1u4m s TYR 14 CO 0.01 -0.06 1.74 1.51 -1.57 0.00 0.00 175.55 177.18 1u4m n ILE 15 N 2.59 0.04 -0.19 2.71 3.06 -0.27 -4.88 119.36 122.43 1u4m n ILE 15 Ca -0.17 -0.01 -0.01 0.00 -2.50 0.00 0.00 62.75 60.07 1u4m n ILE 15 Cb 0.51 -2.00 0.22 0.00 0.54 0.00 0.00 39.64 38.91 1u4m n ILE 15 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1u4m h ALA 16 N 6.99 1.37 -2.17 1.51 0.00 -1.98 -3.45 119.26 121.52 1u4m h ALA 16 Ca -0.43 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 53.95 1u4m h ALA 16 Cb 1.20 -0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1u4m h ALA 16 CO 0.96 0.52 -0.68 -0.98 0.00 0.00 0.00 179.25 179.06 1u4m s ARG 17 N -5.64 1.36 0.27 0.00 1.04 -1.26 -5.12 118.95 109.60 1u4m s ARG 17 Ca -0.11 -1.66 -0.31 0.00 -1.04 0.00 0.00 55.73 52.62 1u4m s ARG 17 Cb 0.17 -0.87 -0.12 0.00 -2.04 0.00 0.00 34.95 32.09 1u4m s ARG 17 CO 0.79 0.02 1.57 -2.30 -0.04 0.00 0.00 175.30 175.34 1u4m n PRO 18 N -0.43 2.55 -2.26 3.89 -0.02 -1.26 -5.00 135.00 132.47 1u4m n PRO 18 Ca -0.06 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 1u4m n PRO 18 Cb 0.63 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1u4m n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u4m s LEU 19 N -0.14 3.49 0.03 2.45 1.43 -1.26 -4.95 118.68 119.73 1u4m s LEU 19 Ca 0.66 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.89 1u4m s LEU 19 Cb -0.54 -4.40 -0.08 0.00 0.03 0.00 0.00 46.19 41.20 1u4m s LEU 19 CO 0.47 -0.68 1.88 -2.84 0.23 0.00 0.00 176.35 175.41 1u4m s PRO 20 N -4.52 4.15 0.25 1.29 0.02 -1.26 -4.85 135.00 130.07 1u4m s PRO 20 Ca 0.56 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 64.05 1u4m s PRO 20 Cb -0.10 -4.03 0.47 0.00 0.02 0.00 0.00 34.50 30.86 1u4m s PRO 20 CO 0.41 -0.91 1.69 -0.09 -0.33 0.00 0.00 177.00 177.77 1u4m h ARG 21 N 10.04 0.28 0.00 5.54 9.65 -1.97 -0.42 114.38 137.51 1u4m h ARG 21 Ca -0.47 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1u4m h ARG 21 Cb 1.22 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1u4m h ARG 21 CO 0.94 0.19 0.00 0.00 2.80 0.00 0.00 179.97 183.90 1u4m n ALA 22 N -2.64 1.29 1.35 2.80 0.00 -1.26 -1.56 120.51 120.49 1u4m n ALA 22 Ca 0.15 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1u4m n ALA 22 Cb 0.47 -1.27 0.43 0.00 0.00 0.00 0.00 19.45 19.07 1u4m n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u4m n HIS 23 N -2.02 0.04 -4.14 0.00 8.25 -0.17 -4.87 115.22 112.31 1u4m n HIS 23 Ca 0.00 -0.02 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1u4m n HIS 23 Cb 0.10 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.09 1u4m n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4m s ILE 24 N -1.96 4.13 -0.04 1.59 1.01 -0.60 -0.59 121.20 124.74 1u4m s ILE 24 Ca 0.36 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1u4m s ILE 24 Cb 0.20 -2.85 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 1u4m s ILE 24 CO 0.32 0.45 0.10 2.29 0.00 0.00 0.00 174.94 178.09 1u4m n LYS 25 N 3.94 1.53 -4.08 2.79 2.85 -0.54 -4.92 118.16 119.72 1u4m n LYS 25 Ca -0.17 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 56.94 1u4m n LYS 25 Cb 0.52 -1.18 -0.07 0.00 -0.65 0.00 0.00 35.03 33.65 1u4m n LYS 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1u4m s GLU 26 N -2.36 1.50 0.12 -1.58 2.02 -1.15 -5.01 118.70 112.25 1u4m s GLU 26 Ca -0.03 -1.46 -0.24 0.00 0.02 0.00 0.00 54.97 53.26 1u4m s GLU 26 Cb 0.04 0.40 0.07 0.00 0.10 0.00 0.00 34.13 34.74 1u4m s GLU 26 CO 0.31 -0.59 0.60 1.52 0.02 0.00 0.00 175.26 177.12 1u4m s TYR 27 N -3.90 -0.54 -0.01 1.61 1.13 -1.26 -0.64 117.35 113.74 1u4m s TYR 27 Ca 0.29 0.44 -0.27 0.00 -1.41 0.00 0.00 57.07 56.12 1u4m s TYR 27 Cb 0.02 0.52 0.06 0.00 -1.10 0.00 0.00 41.96 41.46 1u4m s TYR 27 CO 0.12 -0.80 0.61 -0.59 -2.51 0.00 0.00 175.55 172.38 1u4m s PHE 28 N -3.31 -0.56 0.08 -3.49 -0.12 -0.75 -4.98 117.98 104.84 1u4m s PHE 28 Ca -0.01 0.85 -0.18 0.00 -0.05 0.00 0.00 56.93 57.54 1u4m s PHE 28 Cb -0.01 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.70 1u4m s PHE 28 CO -0.09 -0.62 0.55 0.71 -0.05 0.00 0.00 175.22 175.71 1u4m s TYR 29 N -1.71 3.76 0.70 3.49 1.51 -1.26 -0.51 117.35 123.34 1u4m s TYR 29 Ca -0.09 1.20 -0.12 0.00 -1.01 0.00 0.00 57.07 57.05 1u4m s TYR 29 Cb -0.01 -2.45 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1u4m s TYR 29 CO 0.05 0.57 1.08 0.95 -1.11 0.00 0.00 175.55 177.09 1u4m s THR 30 N -1.17 3.55 0.46 -0.71 -4.23 -0.74 -4.95 115.64 107.86 1u4m s THR 30 Ca 0.30 0.58 -0.23 0.00 -1.18 0.00 0.00 61.69 61.16 1u4m s THR 30 Cb -0.18 -3.14 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 1u4m s THR 30 CO 0.18 -0.58 0.94 -0.24 -0.54 0.00 0.00 174.62 174.38 1u4m n SER 31 N -2.97 0.90 0.00 3.99 2.88 -1.26 -4.75 113.62 112.41 1u4m n SER 31 Ca 0.09 0.96 0.05 0.00 -1.33 0.00 0.00 58.87 58.65 1u4m n SER 31 Cb 0.53 -1.34 0.24 0.00 -0.75 0.00 0.00 64.21 62.89 1u4m n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u4m n GLY 32 N 1.28 -0.88 0.20 0.46 0.00 -1.26 -1.79 105.19 103.19 1u4m n GLY 32 Ca 0.10 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1u4m n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4m h LYS 33 N 0.00 0.00 -7.16 1.61 1.79 -1.97 -3.45 116.57 107.39 1u4m h LYS 33 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1u4m h LYS 33 Cb 0.19 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 30.96 1u4m h LYS 33 CO 0.00 0.34 0.40 0.00 -1.08 0.00 0.00 179.45 179.11 1u4m h SER 35 N 0.19 0.26 -4.09 0.00 4.64 -1.89 -3.43 113.55 109.23 1u4m h SER 35 Ca -0.48 -0.09 -0.69 0.00 -0.47 0.00 0.00 61.79 60.06 1u4m h SER 35 Cb 1.27 -0.07 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 1u4m h SER 35 CO 0.53 0.58 -0.79 0.20 -0.87 0.00 0.00 176.83 176.49 1u4m s ASN 36 N -6.87 3.90 0.54 4.97 0.02 -1.26 -5.11 114.94 111.13 1u4m s ASN 36 Ca -0.05 -0.24 -0.17 0.00 -1.02 0.00 0.00 52.86 51.38 1u4m s ASN 36 Cb 0.14 -0.77 -0.06 0.00 0.02 0.00 0.00 41.25 40.57 1u4m s ASN 36 CO 0.76 0.34 1.02 -2.16 0.02 0.00 0.00 177.10 177.08 1u4m s PRO 37 N -0.77 3.64 -0.12 -0.60 0.04 -1.26 -4.76 135.00 131.17 1u4m s PRO 37 Ca 0.12 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1u4m s PRO 37 Cb -0.11 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.47 1u4m s PRO 37 CO 0.01 -0.54 0.98 0.00 0.04 0.00 0.00 177.00 177.49 1u4m s ALA 38 N -2.44 -1.91 -0.12 8.56 0.00 -1.26 -4.77 121.76 119.81 1u4m s ALA 38 Ca 0.62 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 54.00 1u4m s ALA 38 Cb -0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1u4m s ALA 38 CO 0.32 -0.44 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 1u4m s VAL 39 N -1.77 3.33 -0.27 0.00 1.01 -0.43 -1.78 120.40 120.50 1u4m s VAL 39 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1u4m s VAL 39 Cb -0.01 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1u4m s VAL 39 CO -0.02 0.53 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 1u4m s VAL 40 N 0.15 3.30 -0.04 2.92 1.01 0.34 0.10 120.40 128.18 1u4m s VAL 40 Ca -0.05 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1u4m s VAL 40 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1u4m s VAL 40 CO 0.04 0.15 0.46 -0.36 0.00 0.00 0.00 175.10 175.40 1u4m s PHE 41 N 1.39 3.64 -0.28 5.22 0.08 0.16 -1.81 117.98 126.39 1u4m s PHE 41 Ca 0.01 0.98 -0.09 0.00 0.12 0.00 0.00 56.93 57.95 1u4m s PHE 41 Cb -0.17 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1u4m s PHE 41 CO -0.02 0.42 0.14 0.08 -0.10 0.00 0.00 175.22 175.74 1u4m s VAL 42 N -0.29 4.83 0.72 -0.44 1.01 0.19 -0.81 120.40 125.60 1u4m s VAL 42 Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1u4m s VAL 42 Cb -0.16 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1u4m s VAL 42 CO 0.13 0.25 1.06 0.42 0.00 0.00 0.00 175.10 176.96 1u4m s THR 43 N 1.68 2.72 -0.71 3.92 -4.23 -0.07 -1.47 115.64 117.48 1u4m s THR 43 Ca 0.06 0.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.79 1u4m s THR 43 Cb -0.16 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.66 1u4m s THR 43 CO 0.08 -0.23 1.55 0.54 -0.54 0.00 0.00 174.62 176.02 1u4m n ARG 44 N -3.00 0.10 -0.20 3.99 1.74 0.24 0.25 116.66 119.77 1u4m n ARG 44 Ca 0.07 0.37 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 1u4m n ARG 44 Cb 0.59 -1.70 0.26 0.00 -1.02 0.00 0.00 32.46 30.60 1u4m n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u4m n LYS 45 N -1.88 2.14 -1.82 5.56 5.02 -1.26 -4.92 118.16 121.00 1u4m n LYS 45 Ca 0.02 -1.75 -0.13 0.00 -2.02 0.00 0.00 58.31 54.43 1u4m n LYS 45 Cb 0.17 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1u4m n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u4m n ASN 46 N 0.94 -4.23 -4.87 4.39 3.02 0.14 -5.02 115.26 109.62 1u4m n ASN 46 Ca 0.17 0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.56 1u4m n ASN 46 Cb 0.45 -3.14 -0.01 0.00 -0.61 0.00 0.00 39.78 36.46 1u4m n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u4m s ARG 47 N -3.88 3.69 -0.18 3.52 0.52 -1.25 -4.78 118.95 116.59 1u4m s ARG 47 Ca 0.00 0.60 0.01 0.00 -0.52 0.00 0.00 55.73 55.82 1u4m s ARG 47 Cb 0.00 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.27 1u4m s ARG 47 CO 0.00 -0.31 -0.18 -0.65 0.02 0.00 0.00 175.30 174.17 1u4m s GLN 48 N -4.59 2.82 -0.12 3.54 -0.21 -1.26 -0.89 119.66 118.95 1u4m s GLN 48 Ca 0.53 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 55.08 1u4m s GLN 48 Cb -0.10 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.36 1u4m s GLN 48 CO 0.43 -0.25 -0.17 0.08 -2.12 0.00 0.00 175.29 173.25 1u4m s VAL 49 N 1.30 2.65 0.17 1.09 1.01 0.01 -4.94 120.40 121.69 1u4m s VAL 49 Ca 0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1u4m s VAL 49 Cb -0.14 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1u4m s VAL 49 CO -0.12 0.54 0.93 0.00 0.00 0.00 0.00 175.10 176.45 1u4m s ALA 51 N -0.65 0.17 -0.33 0.00 0.00 0.12 -1.11 121.76 119.96 1u4m s ALA 51 Ca 0.43 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 51.39 1u4m s ALA 51 Cb -0.24 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1u4m s ALA 51 CO 0.30 -0.26 0.92 1.21 0.00 0.00 0.00 175.76 177.93 1u4m s ASN 52 N -2.02 6.76 0.00 0.00 3.84 -1.26 -1.31 114.94 120.94 1u4m s ASN 52 Ca -0.07 0.77 0.06 0.00 0.21 0.00 0.00 52.86 53.83 1u4m s ASN 52 Cb -0.03 -2.47 0.26 0.00 -0.55 0.00 0.00 41.25 38.47 1u4m s ASN 52 CO -0.04 -0.76 1.18 -0.81 -2.79 0.00 0.00 177.10 173.88 1u4m n PRO 53 N 6.56 0.01 0.00 0.43 -0.04 -1.26 -1.45 135.00 139.24 1u4m n PRO 53 Ca 0.07 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1u4m n PRO 53 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 1u4m n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1u4m n GLU 54 N -1.48 0.18 -2.69 0.54 4.71 -1.26 -4.61 120.64 116.03 1u4m n GLU 54 Ca 0.02 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.16 56.65 1u4m n GLU 54 Cb 0.07 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.95 1u4m n GLU 54 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1u4m s LYS 55 N -2.89 4.80 0.15 3.49 -0.14 -0.53 -4.98 119.74 119.64 1u4m s LYS 55 Ca 0.14 1.56 -0.17 0.00 -1.36 0.00 0.00 55.97 56.13 1u4m s LYS 55 Cb 0.18 -3.27 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1u4m s LYS 55 CO 0.67 0.42 1.77 -0.22 -0.76 0.00 0.00 175.35 177.24 1u4m h LYS 56 N 4.21 0.32 -0.25 1.68 3.64 -1.90 -2.18 116.57 122.09 1u4m h LYS 56 Ca -0.45 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1u4m h LYS 56 Cb 1.20 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1u4m h LYS 56 CO 0.68 0.21 -0.02 0.11 -2.27 0.00 0.00 179.45 178.16 1u4m h TRP 57 N 0.33 0.39 -0.29 1.91 5.08 -1.94 -1.51 115.95 119.91 1u4m h TRP 57 Ca 0.14 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.05 1u4m h TRP 57 Cb 0.06 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 1u4m h TRP 57 CO -0.10 0.41 0.08 0.28 -1.28 0.00 0.00 178.44 177.83 1u4m h VAL 58 N 0.37 1.21 -0.77 0.12 2.07 -1.70 -0.24 116.25 117.30 1u4m h VAL 58 Ca 0.08 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1u4m h VAL 58 Cb 0.29 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1u4m h VAL 58 CO 0.01 0.22 0.28 0.03 0.02 0.00 0.00 177.57 178.14 1u4m h ARG 59 N 0.30 1.17 -0.37 1.57 3.08 -1.02 -1.74 114.38 117.38 1u4m h ARG 59 Ca 0.09 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1u4m h ARG 59 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1u4m h ARG 59 CO -0.00 0.97 0.03 0.93 -1.07 0.00 0.00 179.97 180.83 1u4m h GLU 60 N 1.14 0.62 -0.78 0.04 5.08 -1.08 -0.80 114.58 118.79 1u4m h GLU 60 Ca 0.25 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1u4m h GLU 60 Cb 0.26 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1u4m h GLU 60 CO -0.02 0.71 0.49 1.88 -1.00 0.00 0.00 179.01 181.08 1u4m h TYR 61 N 0.45 0.92 -0.14 4.33 -1.99 -0.84 0.20 116.97 119.90 1u4m h TYR 61 Ca 0.11 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1u4m h TYR 61 Cb 0.41 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1u4m h TYR 61 CO 0.03 0.51 0.08 0.82 -0.00 0.00 0.00 178.16 179.60 1u4m h ILE 62 N 0.94 1.10 -0.92 -2.88 2.04 -1.06 0.24 117.51 116.97 1u4m h ILE 62 Ca 0.32 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1u4m h ILE 62 Cb 0.05 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1u4m h ILE 62 CO -0.13 0.10 0.59 0.78 0.00 0.00 0.00 178.15 179.49 1u4m h ASN 63 N 0.12 0.95 0.04 1.72 -0.26 -0.52 -0.18 115.58 117.46 1u4m h ASN 63 Ca 0.05 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1u4m h ASN 63 Cb 0.09 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1u4m h ASN 63 CO -0.01 0.62 -0.02 -1.28 -1.06 0.00 0.00 177.43 175.69 1u4m h SER 64 N 1.09 -0.04 -0.63 5.81 0.87 -0.16 -3.01 113.55 117.48 1u4m h SER 64 Ca 0.39 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 1u4m h SER 64 Cb 0.11 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1u4m h SER 64 CO -0.15 0.24 0.42 -0.07 -0.53 0.00 0.00 176.83 176.74 1u4m h LEU 65 N -0.33 0.48 -0.20 2.23 3.38 -0.05 0.41 115.31 121.22 1u4m h LEU 65 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u4m h LEU 65 Cb 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u4m h LEU 65 CO 0.01 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 1u4m n GLU 66 N -4.48 0.07 -0.02 1.13 -0.58 -0.12 -2.91 120.64 113.74 1u4m n GLU 66 Ca 0.10 0.27 -0.21 0.00 -0.42 0.00 0.00 57.16 56.90 1u4m n GLU 66 Cb 0.30 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 29.41 1u4m n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1u4m n MET 67 N -1.77 0.74 0.00 3.49 2.81 0.10 -5.10 117.12 117.40 1u4m n MET 67 Ca 0.04 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1u4m n MET 67 Cb 0.22 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1u4m n MET 67 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91