#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4p s TYR 3 N 0.00 2.78 0.52 0.54 1.51 -1.26 -4.89 117.35 116.55 1u4p s TYR 3 Ca 0.00 1.53 0.23 0.00 -1.01 0.00 0.00 57.07 57.82 1u4p s TYR 3 Cb 0.00 -3.07 1.49 0.00 -0.11 0.00 0.00 41.96 40.27 1u4p s TYR 3 CO 0.00 -1.49 2.16 0.66 -1.11 0.00 0.00 175.55 175.78 1u4p h SER 4 N -0.11 0.00 -0.21 2.29 4.64 -2.10 -2.15 113.55 115.91 1u4p h SER 4 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1u4p h SER 4 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1u4p h SER 4 CO 0.55 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1u4p n SER 5 N -4.10 1.93 -4.87 4.97 3.41 -1.26 -4.89 113.62 108.81 1u4p n SER 5 Ca -0.03 -1.77 -0.31 0.00 -0.26 0.00 0.00 58.87 56.50 1u4p n SER 5 Cb 0.13 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1u4p n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u4p s ASP 6 N -1.51 6.58 0.79 4.04 1.01 -0.81 -5.04 116.67 121.72 1u4p s ASP 6 Ca 0.32 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.68 1u4p s ASP 6 Cb 0.18 -2.35 0.07 0.00 1.01 0.00 0.00 42.92 41.82 1u4p s ASP 6 CO 0.26 -0.39 1.10 0.42 0.21 0.00 0.00 175.17 176.78 1u4p s THR 7 N -2.33 3.13 -0.04 -1.27 -4.23 -1.26 -4.93 115.64 104.70 1u4p s THR 7 Ca 0.53 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1u4p s THR 7 Cb -0.10 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1u4p s THR 7 CO 0.29 -0.47 0.14 0.28 -0.54 0.00 0.00 174.62 174.32 1u4p s THR 8 N -2.84 0.02 0.21 3.99 -1.32 -1.26 -5.07 115.64 109.36 1u4p s THR 8 Ca 0.62 -0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.66 1u4p s THR 8 Cb -0.18 -0.25 -0.08 0.00 -1.51 0.00 0.00 72.50 70.47 1u4p s THR 8 CO 0.56 -0.08 1.22 -2.16 -2.21 0.00 0.00 174.62 171.95 1u4p s PRO 9 N -0.21 4.48 0.15 7.08 0.04 -1.26 -5.04 135.00 140.24 1u4p s PRO 9 Ca -0.03 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1u4p s PRO 9 Cb -0.02 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1u4p s PRO 9 CO 0.00 -0.10 -0.14 0.00 0.04 0.00 0.00 177.00 176.81 1u4p n PHE 12 N 2.52 0.00 -3.62 0.00 3.72 -1.26 -4.49 117.46 114.32 1u4p n PHE 12 Ca -0.18 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.08 1u4p n PHE 12 Cb 0.53 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 1u4p n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4p s ALA 13 N -0.12 -1.70 -0.05 4.37 0.00 -1.26 -5.15 121.76 117.85 1u4p s ALA 13 Ca 0.00 1.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 1u4p s ALA 13 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1u4p s ALA 13 CO 0.00 -0.33 0.11 0.71 0.00 0.00 0.00 175.76 176.25 1u4p s TYR 14 N 0.12 3.43 0.11 0.00 2.02 -1.26 -4.65 117.35 117.11 1u4p s TYR 14 Ca -0.02 0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 1u4p s TYR 14 Cb -0.04 -1.83 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1u4p s TYR 14 CO 0.02 0.62 1.49 -1.50 -1.57 0.00 0.00 175.55 174.61 1u4p s ILE 15 N -1.13 3.09 -0.08 2.71 2.07 -0.00 -4.93 121.20 122.93 1u4p s ILE 15 Ca 0.20 0.73 -0.21 0.00 -1.41 0.00 0.00 60.65 59.96 1u4p s ILE 15 Cb -0.12 -3.47 -0.17 0.00 0.13 0.00 0.00 42.46 38.84 1u4p s ILE 15 CO 0.10 0.04 0.75 0.00 -1.91 0.00 0.00 174.94 173.93 1u4p h ALA 16 N 7.13 -0.12 -2.61 1.50 0.00 -1.97 -3.45 119.26 119.75 1u4p h ALA 16 Ca -0.42 -0.27 -0.55 0.00 0.00 0.00 0.00 54.91 53.67 1u4p h ALA 16 Cb 1.20 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1u4p h ALA 16 CO 0.89 -0.18 0.17 -0.98 0.00 0.00 0.00 179.25 179.15 1u4p s ARG 17 N -2.91 4.47 0.18 0.00 1.04 -1.26 -5.00 118.95 115.48 1u4p s ARG 17 Ca -0.13 1.03 -0.32 0.00 -1.04 0.00 0.00 55.73 55.28 1u4p s ARG 17 Cb -0.00 -3.45 -0.12 0.00 -2.04 0.00 0.00 34.95 29.34 1u4p s ARG 17 CO 0.48 0.03 1.74 -2.30 -0.04 0.00 0.00 175.30 175.21 1u4p n PRO 18 N 3.81 2.72 -2.23 3.89 -0.02 -1.26 -4.97 135.00 136.94 1u4p n PRO 18 Ca 0.01 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 1u4p n PRO 18 Cb 0.51 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.14 1u4p n PRO 18 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1u4p s LEU 19 N 1.48 3.50 -0.13 2.45 2.34 -1.26 -4.94 118.68 122.13 1u4p s LEU 19 Ca 0.77 1.53 -0.34 0.00 0.06 0.00 0.00 54.13 56.15 1u4p s LEU 19 Cb -0.52 -4.50 -0.11 0.00 -0.56 0.00 0.00 46.19 40.50 1u4p s LEU 19 CO 0.34 -0.68 1.93 -2.65 -1.06 0.00 0.00 176.35 174.22 1u4p n PRO 20 N -1.95 2.03 -0.04 1.48 -0.02 -1.26 -4.84 135.00 130.41 1u4p n PRO 20 Ca 0.06 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.42 1u4p n PRO 20 Cb 0.54 -2.65 0.59 0.00 -0.02 0.00 0.00 33.50 31.96 1u4p n PRO 20 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1u4p h ARG 21 N 9.81 0.21 0.00 -0.52 2.43 -1.96 0.15 114.38 124.49 1u4p h ARG 21 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1u4p h ARG 21 Cb 1.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1u4p h ARG 21 CO 0.96 0.14 0.00 0.00 -1.51 0.00 0.00 179.97 179.56 1u4p n ALA 22 N -2.57 1.77 1.33 2.80 0.00 -1.26 -1.95 120.51 120.62 1u4p n ALA 22 Ca 0.09 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.74 1u4p n ALA 22 Cb 0.47 -1.40 0.54 0.00 0.00 0.00 0.00 19.45 19.06 1u4p n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u4p n HIS 23 N -2.23 0.00 -3.63 0.00 8.25 0.51 -4.83 115.22 113.29 1u4p n HIS 23 Ca 0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.13 1u4p n HIS 23 Cb 0.26 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 1u4p n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4p s ILE 24 N -2.54 5.35 -0.04 1.59 1.01 -0.82 -1.08 121.20 124.67 1u4p s ILE 24 Ca 0.26 0.32 0.13 0.00 0.00 0.00 0.00 60.65 61.36 1u4p s ILE 24 Cb 0.20 -3.54 -0.20 0.00 0.01 0.00 0.00 42.46 38.92 1u4p s ILE 24 CO 0.50 0.38 0.25 2.29 0.00 0.00 0.00 174.94 178.36 1u4p n LYS 25 N 3.86 0.68 -3.83 2.79 2.85 -0.41 -4.93 118.16 119.18 1u4p n LYS 25 Ca -0.14 -0.10 -0.05 0.00 -1.05 0.00 0.00 58.31 56.96 1u4p n LYS 25 Cb 0.52 -1.32 0.01 0.00 -0.65 0.00 0.00 35.03 33.58 1u4p n LYS 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1u4p s GLU 26 N -2.83 1.63 0.08 -1.58 0.41 -1.14 -4.84 118.70 110.43 1u4p s GLU 26 Ca -0.05 -1.00 -0.21 0.00 -0.41 0.00 0.00 54.97 53.30 1u4p s GLU 26 Cb 0.08 0.49 0.05 0.00 -1.78 0.00 0.00 34.13 32.96 1u4p s GLU 26 CO 0.56 -0.76 0.49 1.52 -0.49 0.00 0.00 175.26 176.58 1u4p s TYR 27 N -2.71 -0.38 0.19 1.61 -0.85 -1.26 -0.54 117.35 113.41 1u4p s TYR 27 Ca 0.16 0.29 -0.16 0.00 -0.52 0.00 0.00 57.07 56.85 1u4p s TYR 27 Cb -0.04 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.67 1u4p s TYR 27 CO 0.07 -0.68 0.48 -0.59 -1.52 0.00 0.00 175.55 173.31 1u4p s PHE 28 N -2.94 -0.04 -0.12 -3.49 -0.12 -0.61 -4.98 117.98 105.68 1u4p s PHE 28 Ca -0.02 -0.31 -0.09 0.00 -0.05 0.00 0.00 56.93 56.45 1u4p s PHE 28 Cb -0.00 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1u4p s PHE 28 CO -0.06 -0.88 0.18 0.71 -0.05 0.00 0.00 175.22 175.13 1u4p s TYR 29 N -3.89 3.57 0.61 3.49 2.02 -1.26 -0.35 117.35 121.55 1u4p s TYR 29 Ca 0.10 0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 1u4p s TYR 29 Cb -0.00 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1u4p s TYR 29 CO -0.03 0.61 1.08 0.95 -1.57 0.00 0.00 175.55 176.60 1u4p s THR 30 N -0.69 3.54 0.47 -0.71 -4.23 -0.94 -4.96 115.64 108.12 1u4p s THR 30 Ca 0.15 0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 61.18 1u4p s THR 30 Cb -0.12 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 1u4p s THR 30 CO 0.04 -0.40 1.10 -0.24 -0.54 0.00 0.00 174.62 174.57 1u4p n SER 31 N -2.05 1.60 0.03 3.99 2.88 -1.26 -4.75 113.62 114.05 1u4p n SER 31 Ca 0.10 0.99 0.06 0.00 -1.33 0.00 0.00 58.87 58.69 1u4p n SER 31 Cb 0.52 -1.42 0.25 0.00 -0.75 0.00 0.00 64.21 62.81 1u4p n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u4p n GLY 32 N 1.07 -0.86 0.20 0.46 0.00 -1.26 -1.45 105.19 103.35 1u4p n GLY 32 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1u4p n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4p h LYS 33 N 0.00 0.00 -7.12 1.61 1.79 -1.97 -3.44 116.57 107.43 1u4p h LYS 33 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1u4p h LYS 33 Cb 0.16 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.91 1u4p h LYS 33 CO 0.00 0.35 0.43 0.00 -1.08 0.00 0.00 179.45 179.15 1u4p h SER 35 N 0.72 0.00 -4.32 0.00 4.64 -1.88 -3.44 113.55 109.27 1u4p h SER 35 Ca -0.49 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.13 1u4p h SER 35 Cb 1.27 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.10 1u4p h SER 35 CO 0.55 0.37 -0.83 0.20 -0.87 0.00 0.00 176.83 176.24 1u4p s ASN 36 N -6.76 3.51 0.45 4.97 0.02 -1.26 -5.12 114.94 110.76 1u4p s ASN 36 Ca -0.02 -0.35 -0.21 0.00 -1.02 0.00 0.00 52.86 51.26 1u4p s ASN 36 Cb 0.14 -0.57 -0.10 0.00 0.02 0.00 0.00 41.25 40.74 1u4p s ASN 36 CO 0.71 0.33 1.00 -2.16 0.02 0.00 0.00 177.10 176.99 1u4p s PRO 37 N -0.73 4.03 -0.13 -0.60 0.04 -1.26 -4.72 135.00 131.62 1u4p s PRO 37 Ca 0.11 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1u4p s PRO 37 Cb -0.10 -2.17 0.12 0.00 0.04 0.00 0.00 34.50 32.39 1u4p s PRO 37 CO 0.00 -0.22 0.97 0.00 0.04 0.00 0.00 177.00 177.79 1u4p s ALA 38 N -2.04 -1.91 -0.16 8.56 0.00 -1.26 -4.76 121.76 120.19 1u4p s ALA 38 Ca 0.64 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 54.04 1u4p s ALA 38 Cb -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1u4p s ALA 38 CO 0.17 -0.37 0.01 0.08 0.00 0.00 0.00 175.76 175.65 1u4p s VAL 39 N -1.43 4.29 -0.20 0.00 1.01 -0.79 -2.22 120.40 121.06 1u4p s VAL 39 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1u4p s VAL 39 Cb -0.01 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1u4p s VAL 39 CO 0.00 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.85 1u4p s VAL 40 N 0.19 3.31 -0.24 2.92 1.01 0.53 -0.43 120.40 127.69 1u4p s VAL 40 Ca 0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1u4p s VAL 40 Cb -0.13 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1u4p s VAL 40 CO 0.02 0.45 0.39 -0.36 0.00 0.00 0.00 175.10 175.59 1u4p s PHE 41 N 1.23 3.30 -0.27 5.22 0.08 0.59 -1.57 117.98 126.55 1u4p s PHE 41 Ca 0.03 0.51 -0.19 0.00 0.12 0.00 0.00 56.93 57.39 1u4p s PHE 41 Cb -0.14 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1u4p s PHE 41 CO -0.02 -0.13 0.57 0.08 -0.10 0.00 0.00 175.22 175.63 1u4p s VAL 42 N 1.73 5.01 0.73 -0.44 1.01 0.29 -1.20 120.40 127.54 1u4p s VAL 42 Ca 0.17 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1u4p s VAL 42 Cb -0.15 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.44 1u4p s VAL 42 CO 0.09 0.01 1.02 0.42 0.00 0.00 0.00 175.10 176.64 1u4p s THR 43 N 2.44 2.22 -1.42 3.92 -4.23 -0.57 -1.28 115.64 116.71 1u4p s THR 43 Ca 0.23 -0.43 0.23 0.00 -1.18 0.00 0.00 61.69 60.55 1u4p s THR 43 Cb -0.15 -2.80 0.39 0.00 1.34 0.00 0.00 72.50 71.28 1u4p s THR 43 CO 0.10 0.00 1.74 0.54 -0.54 0.00 0.00 174.62 176.46 1u4p n ARG 44 N -2.94 0.32 -0.15 3.99 1.74 -0.24 -1.07 116.66 118.30 1u4p n ARG 44 Ca 0.12 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 1u4p n ARG 44 Cb 0.60 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.72 1u4p n ARG 44 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u4p n GLU 45 N -1.29 2.30 -1.54 5.56 1.02 -1.26 -4.95 120.64 120.47 1u4p n GLU 45 Ca 0.11 -2.11 -0.10 0.00 -0.02 0.00 0.00 57.16 55.04 1u4p n GLU 45 Cb 0.18 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1u4p n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1u4p n ASN 46 N 1.30 -3.96 -4.83 1.62 3.02 -0.23 -5.02 115.26 107.15 1u4p n ASN 46 Ca 0.17 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 1u4p n ASN 46 Cb 0.55 -2.58 -0.06 0.00 -0.61 0.00 0.00 39.78 37.08 1u4p n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1u4p s ARG 47 N -3.31 4.10 -0.50 3.52 0.52 -1.26 -4.78 118.95 117.23 1u4p s ARG 47 Ca 0.00 1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 56.17 1u4p s ARG 47 Cb 0.00 -2.20 0.13 0.00 0.52 0.00 0.00 34.95 33.40 1u4p s ARG 47 CO 0.00 -0.09 0.31 -0.65 0.02 0.00 0.00 175.30 174.89 1u4p s GLN 48 N -3.48 2.25 -0.22 3.54 -0.21 -1.26 -1.52 119.66 118.77 1u4p s GLN 48 Ca 0.60 -2.12 -0.18 0.00 0.02 0.00 0.00 55.36 53.68 1u4p s GLN 48 Cb -0.09 -3.66 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 1u4p s GLN 48 CO 0.20 -1.12 0.49 0.08 -2.12 0.00 0.00 175.29 172.82 1u4p s VAL 49 N 0.64 5.12 0.15 1.09 1.01 -0.34 -4.88 120.40 123.19 1u4p s VAL 49 Ca 0.12 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1u4p s VAL 49 Cb -0.22 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1u4p s VAL 49 CO -0.04 0.17 0.98 0.00 0.00 0.00 0.00 175.10 176.21 1u4p s ALA 51 N -0.30 0.17 -0.22 0.00 0.00 0.43 -0.82 121.76 121.02 1u4p s ALA 51 Ca 0.46 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1u4p s ALA 51 Cb -0.25 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1u4p s ALA 51 CO 0.31 -0.17 1.09 1.21 0.00 0.00 0.00 175.76 178.20 1u4p s ASN 52 N -1.58 7.07 0.61 0.00 3.84 -1.26 -1.89 114.94 121.73 1u4p s ASN 52 Ca -0.14 1.44 0.34 0.00 0.21 0.00 0.00 52.86 54.71 1u4p s ASN 52 Cb -0.09 -2.54 1.96 0.00 -0.55 0.00 0.00 41.25 40.03 1u4p s ASN 52 CO -0.02 -0.69 2.25 -0.65 -2.79 0.00 0.00 177.10 175.21 1u4p h PRO 53 N 7.61 0.00 0.00 0.43 0.11 -1.92 -2.30 132.00 135.93 1u4p h PRO 53 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1u4p h PRO 53 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u4p h PRO 53 CO 0.98 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.55 1u4p h GLU 54 N 0.00 0.00 -6.85 1.05 4.39 -1.98 -3.40 114.58 107.79 1u4p h GLU 54 Ca 0.01 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.19 1u4p h GLU 54 Cb 0.10 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1u4p h GLU 54 CO -0.00 0.00 0.61 0.15 -1.16 0.00 0.00 179.01 178.61 1u4p s LYS 55 N -3.13 4.41 0.16 2.33 -0.14 -0.87 -4.92 119.74 117.58 1u4p s LYS 55 Ca 0.09 2.12 -0.16 0.00 -1.36 0.00 0.00 55.97 56.66 1u4p s LYS 55 Cb 0.11 -3.10 0.06 0.00 -1.68 0.00 0.00 37.83 33.22 1u4p s LYS 55 CO 0.64 -0.12 1.75 -0.22 -0.76 0.00 0.00 175.35 176.64 1u4p h LYS 56 N 3.65 0.28 -0.64 1.68 1.63 -1.89 -1.06 116.57 120.22 1u4p h LYS 56 Ca -0.48 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.26 1u4p h LYS 56 Cb 1.22 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 1u4p h LYS 56 CO 0.67 0.19 0.23 0.11 -3.45 0.00 0.00 179.45 177.19 1u4p h TRP 57 N 0.29 0.97 -0.29 1.91 5.08 -1.95 -0.42 115.95 121.54 1u4p h TRP 57 Ca 0.16 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 60.05 1u4p h TRP 57 Cb 0.13 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 25.98 1u4p h TRP 57 CO -0.14 0.77 0.13 0.28 -1.28 0.00 0.00 178.44 178.20 1u4p h VAL 58 N 0.93 1.16 -0.36 0.12 2.07 -1.73 0.20 116.25 118.64 1u4p h VAL 58 Ca 0.21 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1u4p h VAL 58 Cb 0.23 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1u4p h VAL 58 CO -0.01 0.16 0.22 0.03 0.02 0.00 0.00 177.57 177.99 1u4p h ARG 59 N 0.33 0.48 0.00 1.57 3.08 -0.79 -1.10 114.38 117.95 1u4p h ARG 59 Ca 0.10 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1u4p h ARG 59 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1u4p h ARG 59 CO -0.01 0.35 -0.34 0.93 -1.07 0.00 0.00 179.97 179.83 1u4p h GLU 60 N 0.47 0.00 0.15 0.04 4.39 -0.89 -1.59 114.58 117.15 1u4p h GLU 60 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1u4p h GLU 60 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1u4p h GLU 60 CO -0.03 0.34 -0.07 1.88 -1.16 0.00 0.00 179.01 179.97 1u4p h TYR 61 N 0.00 -0.19 0.00 4.33 -1.99 -0.08 -2.91 116.97 116.14 1u4p h TYR 61 Ca -0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1u4p h TYR 61 Cb 0.77 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.55 1u4p h TYR 61 CO 0.00 0.20 -0.28 -0.84 -0.00 0.00 0.00 178.16 177.24 1u4p h ILE 62 N -0.62 1.06 0.00 -2.88 3.07 -1.13 -1.70 117.51 115.32 1u4p h ILE 62 Ca -0.02 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 65.39 1u4p h ILE 62 Cb 0.47 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1u4p h ILE 62 CO 0.03 0.27 0.00 0.78 -1.05 0.00 0.00 178.15 178.19 1u4p h ASN 63 N 0.00 0.00 -0.15 2.16 2.35 -1.26 -3.10 115.58 115.58 1u4p h ASN 63 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u4p h ASN 63 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1u4p h ASN 63 CO 0.04 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.28 1u4p n SER 64 N -2.65 2.36 -4.97 5.81 3.41 -0.69 -5.04 113.62 111.85 1u4p n SER 64 Ca 0.02 -1.93 -0.21 0.00 -0.26 0.00 0.00 58.87 56.49 1u4p n SER 64 Cb 0.28 -0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1u4p n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u4p s LEU 65 N -0.95 3.20 -1.75 1.04 1.43 -0.87 -4.64 118.68 116.14 1u4p s LEU 65 Ca 0.11 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1u4p s LEU 65 Cb 0.06 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1u4p s LEU 65 CO 0.08 -1.02 0.00 -0.62 0.23 0.00 0.00 176.35 175.02 1u4p n GLU 66 N -1.91 -1.71 0.00 1.70 1.02 -1.26 -5.02 120.64 113.46 1u4p n GLU 66 Ca 0.08 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 1u4p n GLU 66 Cb 0.62 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1u4p n GLU 66 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98