#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4p n PRO 2 N 0.00 0.04 -3.15 -1.46 -0.05 -1.26 -4.70 135.00 124.42 1u4p n PRO 2 Ca 0.00 -0.01 -0.39 0.00 -0.05 0.00 0.00 63.50 63.04 1u4p n PRO 2 Cb 0.00 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 31.89 1u4p n PRO 2 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 1u4p s TYR 3 N -2.97 3.47 0.38 0.54 1.51 -1.26 -4.95 117.35 114.07 1u4p s TYR 3 Ca 0.13 1.01 0.07 0.00 -1.01 0.00 0.00 57.07 57.26 1u4p s TYR 3 Cb 0.18 -2.74 0.79 0.00 -0.11 0.00 0.00 41.96 40.09 1u4p s TYR 3 CO 0.62 -0.01 2.00 1.03 -1.11 0.00 0.00 175.55 178.07 1u4p h SER 4 N 7.09 0.58 -0.24 2.29 0.87 -2.00 -1.84 113.55 120.30 1u4p h SER 4 Ca -0.36 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1u4p h SER 4 Cb 1.17 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1u4p h SER 4 CO 0.76 0.40 0.00 -1.54 -0.53 0.00 0.00 176.83 175.92 1u4p n SER 5 N -4.47 1.48 -4.97 6.23 3.41 -1.26 -4.89 113.62 109.16 1u4p n SER 5 Ca 0.08 -1.88 -0.21 0.00 -0.26 0.00 0.00 58.87 56.60 1u4p n SER 5 Cb 0.16 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.20 6.21 0.78 4.04 1.11 -0.69 -5.08 116.67 121.82 1u4p s ASP 6 Ca 0.24 0.14 -0.11 0.00 0.18 0.00 0.00 52.55 53.00 1u4p s ASP 6 Cb 0.12 -1.76 0.06 0.00 1.07 0.00 0.00 42.92 42.42 1u4p s ASP 6 CO 0.18 -0.25 1.09 0.42 1.18 0.00 0.00 175.17 177.79 1u4p s THR 7 N -2.15 3.28 -0.04 -1.27 -4.23 -1.26 -4.98 115.64 104.98 1u4p s THR 7 Ca 0.39 0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1u4p s THR 7 Cb -0.09 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.86 1u4p s THR 7 CO 0.32 -0.54 0.13 0.28 -0.54 0.00 0.00 174.62 174.27 1u4p s THR 8 N -2.91 0.02 0.17 3.99 -1.32 -1.26 -4.68 115.64 109.66 1u4p s THR 8 Ca 0.61 -0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 60.63 1u4p s THR 8 Cb -0.17 -0.25 -0.08 0.00 -1.51 0.00 0.00 72.50 70.49 1u4p s THR 8 CO 0.56 -0.09 1.22 -2.16 -2.21 0.00 0.00 174.62 171.94 1u4p s PRO 9 N -0.25 4.47 0.20 7.08 0.04 -1.26 -5.04 135.00 140.25 1u4p s PRO 9 Ca -0.03 1.90 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1u4p s PRO 9 Cb -0.03 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1u4p s PRO 9 CO 0.00 -0.14 -0.12 0.00 0.04 0.00 0.00 177.00 176.79 1u4p n PHE 12 N 2.83 0.00 -3.62 0.00 3.72 -1.26 -4.46 117.46 114.67 1u4p n PHE 12 Ca -0.17 -0.05 -0.16 0.00 -0.05 0.00 0.00 57.45 57.02 1u4p n PHE 12 Cb 0.52 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.11 -1.52 -0.04 4.37 0.00 -1.26 -5.14 121.76 118.06 1u4p s ALA 13 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1u4p s ALA 13 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1u4p s ALA 13 CO 0.00 -0.32 0.04 0.71 0.00 0.00 0.00 175.76 176.19 1u4p s TYR 14 N -0.58 3.22 0.06 0.00 2.02 -1.26 -4.70 117.35 116.11 1u4p s TYR 14 Ca -0.07 0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.53 1u4p s TYR 14 Cb -0.03 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.71 1u4p s TYR 14 CO 0.05 0.52 1.31 -1.50 -1.57 0.00 0.00 175.55 174.36 1u4p s ILE 15 N -1.04 3.71 -0.04 2.71 2.07 -0.40 -4.94 121.20 123.27 1u4p s ILE 15 Ca 0.18 1.20 -0.19 0.00 -1.41 0.00 0.00 60.65 60.42 1u4p s ILE 15 Cb -0.12 -3.77 -0.13 0.00 0.13 0.00 0.00 42.46 38.57 1u4p s ILE 15 CO 0.08 0.07 0.82 0.00 -1.91 0.00 0.00 174.94 174.00 1u4p h ALA 16 N 7.08 -0.35 -2.75 1.50 0.00 -1.98 -3.45 119.26 119.32 1u4p h ALA 16 Ca -0.40 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 1u4p h ALA 16 Cb 1.20 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1u4p h ALA 16 CO 0.86 -0.40 -0.22 -0.98 0.00 0.00 0.00 179.25 178.51 1u4p s ARG 17 N -3.51 3.97 0.26 0.00 1.04 -1.26 -5.04 118.95 114.41 1u4p s ARG 17 Ca -0.11 0.35 -0.31 0.00 -1.04 0.00 0.00 55.73 54.62 1u4p s ARG 17 Cb 0.01 -3.27 -0.12 0.00 -2.04 0.00 0.00 34.95 29.54 1u4p s ARG 17 CO 0.40 0.58 1.64 -1.25 -0.04 0.00 0.00 175.30 176.64 1u4p s PRO 18 N -0.70 4.13 0.44 3.89 0.04 -1.26 -4.99 135.00 136.54 1u4p s PRO 18 Ca 0.23 2.58 -0.21 0.00 0.04 0.00 0.00 61.00 63.64 1u4p s PRO 18 Cb -0.16 -3.05 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 1u4p s PRO 18 CO 0.11 -0.68 0.96 -1.17 0.04 0.00 0.00 177.00 176.26 1u4p s LEU 19 N 0.21 3.91 -0.00 -3.56 2.96 -1.26 -4.94 118.68 115.99 1u4p s LEU 19 Ca 0.68 1.69 -0.36 0.00 -0.22 0.00 0.00 54.13 55.92 1u4p s LEU 19 Cb -0.48 -4.54 -0.15 0.00 0.50 0.00 0.00 46.19 41.52 1u4p s LEU 19 CO 0.41 -0.40 1.60 -2.65 -1.32 0.00 0.00 176.35 173.99 1u4p n PRO 20 N -0.74 1.64 -0.32 0.98 -0.02 -1.26 -4.85 135.00 130.44 1u4p n PRO 20 Ca 0.07 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1u4p n PRO 20 Cb 0.54 -2.33 0.25 0.00 -0.02 0.00 0.00 33.50 31.95 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 6.45 0.96 0.00 -0.52 9.65 -1.95 -0.94 114.38 128.03 1u4p h ARG 21 Ca -0.47 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1u4p h ARG 21 Cb 1.30 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1u4p h ARG 21 CO 0.88 0.63 0.00 0.00 2.80 0.00 0.00 179.97 184.28 1u4p h ALA 22 N 1.53 1.00 -0.31 2.80 0.00 -2.04 -1.25 119.26 120.99 1u4p h ALA 22 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1u4p h ALA 22 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u4p h ALA 22 CO -0.18 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.65 1u4p n HIS 23 N -2.52 0.40 -4.68 0.00 -0.00 -0.36 -4.85 115.22 103.20 1u4p n HIS 23 Ca -0.01 -0.20 -0.33 0.00 -0.00 0.00 0.00 57.72 57.18 1u4p n HIS 23 Cb 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.98 1u4p n HIS 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1u4p s ILE 24 N -1.60 3.34 0.00 3.57 1.01 -0.47 -0.51 121.20 126.54 1u4p s ILE 24 Ca 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1u4p s ILE 24 Cb 0.20 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1u4p s ILE 24 CO 0.29 0.53 0.00 2.29 0.00 0.00 0.00 174.94 178.05 1u4p n LYS 25 N 3.22 6.08 -3.72 2.79 2.85 -0.37 -4.94 118.16 124.07 1u4p n LYS 25 Ca -0.18 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.01 1u4p n LYS 25 Cb 0.53 -0.45 -0.02 0.00 -0.65 0.00 0.00 35.03 34.44 1u4p n LYS 25 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1u4p s GLU 26 N -0.89 1.44 0.12 -1.58 2.56 -1.18 -5.01 118.70 114.17 1u4p s GLU 26 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 54.97 54.05 1u4p s GLU 26 Cb 0.00 0.53 0.04 0.00 2.00 0.00 0.00 34.13 36.70 1u4p s GLU 26 CO 0.00 -0.66 0.44 1.52 -0.56 0.00 0.00 175.26 176.01 1u4p s TYR 27 N -3.63 -0.28 0.17 5.30 -0.85 -1.26 -0.31 117.35 116.48 1u4p s TYR 27 Ca 0.09 0.02 -0.23 0.00 -0.52 0.00 0.00 57.07 56.43 1u4p s TYR 27 Cb -0.03 0.32 0.07 0.00 0.38 0.00 0.00 41.96 42.69 1u4p s TYR 27 CO 0.01 -0.72 0.62 -0.59 -1.52 0.00 0.00 175.55 173.35 1u4p s PHE 28 N -3.63 -0.50 -0.04 -3.49 -0.12 -0.88 -4.99 117.98 104.33 1u4p s PHE 28 Ca 0.02 0.27 -0.04 0.00 -0.05 0.00 0.00 56.93 57.13 1u4p s PHE 28 Cb 0.01 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1u4p s PHE 28 CO -0.11 -0.88 0.17 0.71 -0.05 0.00 0.00 175.22 175.06 1u4p s TYR 29 N -3.75 3.55 0.68 3.49 2.02 -1.26 -0.10 117.35 121.98 1u4p s TYR 29 Ca 0.02 0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.99 1u4p s TYR 29 Cb -0.01 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1u4p s TYR 29 CO -0.11 0.67 1.08 0.95 -1.57 0.00 0.00 175.55 176.57 1u4p s THR 30 N -1.23 3.57 0.48 -0.71 -4.23 -1.00 -4.94 115.64 107.58 1u4p s THR 30 Ca 0.23 0.63 -0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1u4p s THR 30 Cb -0.12 -3.19 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 1u4p s THR 30 CO 0.14 -0.55 0.85 -0.24 -0.54 0.00 0.00 174.62 174.28 1u4p n SER 31 N -2.75 0.44 0.04 3.99 2.88 -1.26 -4.85 113.62 112.11 1u4p n SER 31 Ca 0.09 0.92 0.07 0.00 -1.33 0.00 0.00 58.87 58.61 1u4p n SER 31 Cb 0.53 -1.29 0.29 0.00 -0.75 0.00 0.00 64.21 62.99 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 1.40 -0.92 0.19 0.46 0.00 -1.26 -1.64 105.19 103.42 1u4p n GLY 32 Ca 0.11 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -7.10 1.61 1.57 -1.97 -3.45 116.57 107.23 1u4p h LYS 33 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1u4p h LYS 33 Cb 0.19 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.58 1u4p h LYS 33 CO 0.00 0.35 0.43 0.00 -0.57 0.00 0.00 179.45 179.66 1u4p h SER 35 N 1.03 0.67 -3.21 0.00 4.64 -1.88 -3.43 113.55 111.38 1u4p h SER 35 Ca -0.50 -0.20 -0.65 0.00 -0.47 0.00 0.00 61.79 59.97 1u4p h SER 35 Cb 1.26 -0.18 -0.15 0.00 -0.31 0.00 0.00 62.40 63.02 1u4p h SER 35 CO 0.56 0.83 -0.58 0.20 -0.87 0.00 0.00 176.83 176.98 1u4p s ASN 36 N -6.73 5.52 -1.47 4.97 0.01 -1.26 -5.03 114.94 110.94 1u4p s ASN 36 Ca -0.09 0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 52.09 1u4p s ASN 36 Cb 0.14 -1.80 0.02 0.00 0.41 0.00 0.00 41.25 40.02 1u4p s ASN 36 CO 0.81 0.27 2.45 -0.81 -1.51 0.00 0.00 177.10 178.31 1u4p n PRO 37 N 2.87 3.47 -3.19 -0.60 -0.04 -1.26 -4.76 135.00 131.49 1u4p n PRO 37 Ca -0.18 -2.71 -0.21 0.00 -0.04 0.00 0.00 63.50 60.37 1u4p n PRO 37 Cb 0.53 -2.99 0.01 0.00 -0.04 0.00 0.00 33.50 31.01 1u4p n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u4p s ALA 38 N 1.90 4.00 0.14 0.55 0.00 -1.26 -4.57 121.76 122.52 1u4p s ALA 38 Ca 0.54 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1u4p s ALA 38 Cb 0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1u4p s ALA 38 CO -0.07 -0.24 0.04 0.14 0.00 0.00 0.00 175.76 175.63 1u4p s VAL 39 N -2.39 4.05 -0.14 0.00 -7.23 -0.77 -2.38 120.40 111.54 1u4p s VAL 39 Ca 0.47 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1u4p s VAL 39 Cb -0.10 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1u4p s VAL 39 CO 0.35 -0.03 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.24 1u4p s VAL 40 N -1.60 1.74 -0.22 1.32 1.01 0.85 -1.22 120.40 122.28 1u4p s VAL 40 Ca 0.28 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1u4p s VAL 40 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1u4p s VAL 40 CO 0.20 0.49 0.32 -0.36 0.00 0.00 0.00 175.10 175.75 1u4p s PHE 41 N 1.10 3.34 -0.22 5.22 0.08 0.98 -2.07 117.98 126.41 1u4p s PHE 41 Ca -0.02 0.47 -0.20 0.00 0.12 0.00 0.00 56.93 57.29 1u4p s PHE 41 Cb -0.14 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1u4p s PHE 41 CO -0.05 -0.01 0.60 0.08 -0.10 0.00 0.00 175.22 175.74 1u4p s VAL 42 N 1.31 5.02 0.82 -0.44 1.01 0.58 -1.15 120.40 127.54 1u4p s VAL 42 Ca 0.15 1.11 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 1u4p s VAL 42 Cb -0.14 -3.92 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1u4p s VAL 42 CO 0.07 0.09 1.13 0.42 0.00 0.00 0.00 175.10 176.81 1u4p s THR 43 N 2.12 2.10 0.45 3.92 -4.23 -0.64 -1.23 115.64 118.12 1u4p s THR 43 Ca 0.26 -0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.56 1u4p s THR 43 Cb -0.16 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.16 1u4p s THR 43 CO 0.09 0.00 2.08 -0.09 -0.54 0.00 0.00 174.62 176.17 1u4p h ARG 44 N -0.99 0.34 -0.56 3.99 2.43 -1.15 -0.28 114.38 118.17 1u4p h ARG 44 Ca -0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1u4p h ARG 44 Cb 1.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1u4p h ARG 44 CO 0.42 0.24 0.00 -0.85 -1.51 0.00 0.00 179.97 178.27 1u4p n GLU 45 N -4.49 4.71 -2.08 0.20 0.00 -1.26 -4.94 120.64 112.78 1u4p n GLU 45 Ca 0.01 -3.13 -0.14 0.00 0.00 0.00 0.00 57.16 53.89 1u4p n GLU 45 Cb 0.08 -2.22 -0.02 0.00 0.00 0.00 0.00 31.44 29.28 1u4p n GLU 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1u4p n ASN 46 N 0.57 -4.39 -4.81 -1.84 3.02 -0.11 -5.01 115.26 102.69 1u4p n ASN 46 Ca 0.27 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 1u4p n ASN 46 Cb 1.16 -3.46 -0.01 0.00 -0.61 0.00 0.00 39.78 36.87 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 -4.38 3.53 -0.45 3.52 0.52 -1.26 -4.74 118.95 115.69 1u4p s ARG 47 Ca 0.00 1.21 -0.05 0.00 -0.52 0.00 0.00 55.73 56.38 1u4p s ARG 47 Cb 0.00 -2.06 0.12 0.00 0.52 0.00 0.00 34.95 33.53 1u4p s ARG 47 CO 0.00 -0.64 0.27 -0.65 0.02 0.00 0.00 175.30 174.30 1u4p s GLN 48 N -3.86 2.19 -0.24 3.54 -0.21 -1.26 -1.62 119.66 118.20 1u4p s GLN 48 Ca 0.64 -1.88 -0.14 0.00 0.02 0.00 0.00 55.36 53.99 1u4p s GLN 48 Cb -0.15 -3.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 1u4p s GLN 48 CO 0.32 -1.12 0.34 0.08 -2.12 0.00 0.00 175.29 172.79 1u4p s VAL 49 N 1.07 5.22 0.20 1.09 1.01 -0.30 -4.89 120.40 123.81 1u4p s VAL 49 Ca 0.09 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1u4p s VAL 49 Cb -0.23 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1u4p s VAL 49 CO -0.03 0.23 0.91 0.00 0.00 0.00 0.00 175.10 176.21 1u4p s ALA 51 N -0.95 -0.18 -0.42 0.00 0.00 -0.36 -1.27 121.76 118.57 1u4p s ALA 51 Ca 0.41 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 1u4p s ALA 51 Cb -0.25 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1u4p s ALA 51 CO 0.31 -0.43 0.63 1.21 0.00 0.00 0.00 175.76 177.47 1u4p s ASN 52 N -2.54 6.34 0.62 0.00 3.84 -1.26 -1.85 114.94 120.09 1u4p s ASN 52 Ca 0.01 -0.25 0.29 0.00 0.21 0.00 0.00 52.86 53.11 1u4p s ASN 52 Cb 0.03 -2.32 1.52 0.00 -0.55 0.00 0.00 41.25 39.93 1u4p s ASN 52 CO -0.08 -0.73 1.90 -0.65 -2.79 0.00 0.00 177.10 174.75 1u4p h PRO 53 N 8.78 0.00 0.00 0.43 0.11 -1.94 -0.91 132.00 138.47 1u4p h PRO 53 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1u4p h PRO 53 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u4p h PRO 53 CO 0.87 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.54 1u4p h GLU 54 N 0.00 0.00 -6.68 1.05 3.07 -1.92 -3.37 114.58 106.72 1u4p h GLU 54 Ca 0.12 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.47 1u4p h GLU 54 Cb 0.95 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1u4p h GLU 54 CO -0.00 0.06 0.43 0.15 -1.40 0.00 0.00 179.01 178.25 1u4p s LYS 55 N -3.38 4.67 0.23 2.33 -0.14 -0.35 -4.93 119.74 118.18 1u4p s LYS 55 Ca 0.04 1.63 -0.07 0.00 -1.36 0.00 0.00 55.97 56.22 1u4p s LYS 55 Cb 0.07 -3.28 0.37 0.00 -1.68 0.00 0.00 37.83 33.30 1u4p s LYS 55 CO 0.63 0.21 1.75 -0.22 -0.76 0.00 0.00 175.35 176.96 1u4p h LYS 56 N 4.81 0.47 -0.20 1.68 3.64 -1.88 -0.31 116.57 124.78 1u4p h LYS 56 Ca -0.45 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1u4p h LYS 56 Cb 1.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1u4p h LYS 56 CO 0.71 0.31 -0.14 0.11 -2.27 0.00 0.00 179.45 178.16 1u4p h TRP 57 N 0.48 0.35 -0.21 1.91 5.08 -1.94 -1.31 115.95 120.32 1u4p h TRP 57 Ca 0.36 -0.05 -0.12 0.00 1.08 0.00 0.00 58.89 60.16 1u4p h TRP 57 Cb 0.47 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 26.54 1u4p h TRP 57 CO -0.15 0.47 -0.35 0.28 -1.28 0.00 0.00 178.44 177.41 1u4p h VAL 58 N 0.31 1.33 -0.66 0.12 2.07 -1.58 -1.04 116.25 116.80 1u4p h VAL 58 Ca 0.06 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.03 1u4p h VAL 58 Cb 0.44 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1u4p h VAL 58 CO 0.03 0.49 0.42 -0.09 0.02 0.00 0.00 177.57 178.43 1u4p h ARG 59 N 0.28 0.82 -0.29 1.57 2.43 -0.76 -1.16 114.38 117.28 1u4p h ARG 59 Ca 0.01 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1u4p h ARG 59 Cb 0.94 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1u4p h ARG 59 CO 0.08 0.54 -0.39 0.93 -1.51 0.00 0.00 179.97 179.62 1u4p h GLU 60 N 0.85 0.69 -0.29 0.20 4.39 -1.19 -2.02 114.58 117.21 1u4p h GLU 60 Ca 0.25 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1u4p h GLU 60 Cb -0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1u4p h GLU 60 CO -0.08 0.96 0.16 1.88 -1.16 0.00 0.00 179.01 180.78 1u4p h TYR 61 N 0.57 0.40 -0.33 4.33 -1.99 -0.76 0.26 116.97 119.44 1u4p h TYR 61 Ca 0.05 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.79 1u4p h TYR 61 Cb 0.92 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.50 1u4p h TYR 61 CO 0.04 0.33 0.18 0.82 -0.00 0.00 0.00 178.16 179.53 1u4p h ILE 62 N 0.36 1.02 -0.76 -2.88 2.04 -1.12 -2.36 117.51 113.81 1u4p h ILE 62 Ca 0.10 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1u4p h ILE 62 Cb 0.06 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1u4p h ILE 62 CO -0.02 0.07 0.39 0.78 0.00 0.00 0.00 178.15 179.38 1u4p h ASN 63 N 0.37 0.95 0.35 1.72 2.35 -1.07 -1.62 115.58 118.65 1u4p h ASN 63 Ca 0.13 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1u4p h ASN 63 Cb 0.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1u4p h ASN 63 CO -0.07 0.78 0.00 -1.54 -1.65 0.00 0.00 177.43 174.95 1u4p n SER 64 N -4.34 0.00 -1.33 5.81 3.41 0.05 -1.71 113.62 115.51 1u4p n SER 64 Ca 0.08 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1u4p n SER 64 Cb 0.11 -0.42 0.32 0.00 -0.26 0.00 0.00 64.21 63.96 1u4p n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1u4p n LEU 65 N -1.42 3.92 -4.74 1.04 4.77 -0.61 -4.97 117.00 114.99 1u4p n LEU 65 Ca 0.04 -1.98 -0.31 0.00 -0.03 0.00 0.00 56.01 53.73 1u4p n LEU 65 Cb 0.13 -0.48 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1u4p n LEU 65 CO 0.11 0.98 0.68 -1.61 -1.33 0.00 0.00 177.39 176.22 1u4p s GLU 66 N -1.01 1.77 0.00 3.23 0.41 -0.69 -5.05 118.70 117.35 1u4p s GLU 66 Ca 0.48 1.08 0.23 0.00 -0.41 0.00 0.00 54.97 56.34 1u4p s GLU 66 Cb 0.25 -1.85 1.36 0.00 -1.78 0.00 0.00 34.13 32.11 1u4p s GLU 66 CO 0.33 -1.96 1.73 -1.33 -0.49 0.00 0.00 175.26 173.54