#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4k n ASN 3 N 0.00 -0.79 -0.33 0.00 0.23 -1.26 -5.27 115.26 107.84 1s4k n ASN 3 Ca 0.00 -1.07 -0.04 0.00 -0.53 0.00 0.00 54.58 52.94 1s4k n ASN 3 Cb 0.00 1.21 0.08 0.00 -2.08 0.00 0.00 39.78 38.99 1s4k n ASN 3 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s4k h ALA 4 N 2.00 1.14 -0.58 -2.53 0.00 -1.89 -2.45 119.26 114.94 1s4k h ALA 4 Ca -0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1s4k h ALA 4 Cb 0.87 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1s4k h ALA 4 CO 0.22 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 180.11 1s4k h LEU 5 N 1.25 0.98 -1.26 0.00 3.38 -1.89 -2.20 115.31 115.57 1s4k h LEU 5 Ca 0.31 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1s4k h LEU 5 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1s4k h LEU 5 CO -0.04 1.02 -0.35 -0.33 0.09 0.00 0.00 178.44 178.82 1s4k h GLU 6 N 0.90 0.03 -0.02 1.13 5.08 -1.95 -0.46 114.58 119.29 1s4k h GLU 6 Ca 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1s4k h GLU 6 Cb 0.50 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s4k h GLU 6 CO 0.02 0.38 -0.00 1.25 -1.00 0.00 0.00 179.01 179.66 1s4k h LEU 7 N 0.03 0.04 -0.80 1.33 5.85 -1.13 -0.91 115.31 119.72 1s4k h LEU 7 Ca 0.00 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.46 1s4k h LEU 7 Cb 0.64 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1s4k h LEU 7 CO 0.05 0.36 0.48 1.56 -0.34 0.00 0.00 178.44 180.54 1s4k h GLN 8 N -0.28 0.83 -0.60 1.25 4.20 -1.04 -1.73 115.11 117.73 1s4k h GLN 8 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1s4k h GLN 8 Cb 0.34 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1s4k h GLN 8 CO 0.00 0.55 0.31 0.00 -0.67 0.00 0.00 178.83 179.01 1s4k h ALA 9 N 1.40 0.77 -0.70 3.87 0.00 -0.87 -2.36 119.26 121.37 1s4k h ALA 9 Ca 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1s4k h ALA 9 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1s4k h ALA 9 CO -0.19 0.31 0.23 -0.07 0.00 0.00 0.00 179.25 179.52 1s4k h LEU 10 N 0.81 1.00 -0.85 0.00 3.38 -0.52 0.85 115.31 119.99 1s4k h LEU 10 Ca 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s4k h LEU 10 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1s4k h LEU 10 CO -0.03 0.93 0.54 -0.09 0.09 0.00 0.00 178.44 179.88 1s4k h ARG 11 N 1.04 1.13 -0.15 1.13 2.43 -1.05 -1.13 114.38 117.78 1s4k h ARG 11 Ca 0.23 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 59.12 1s4k h ARG 11 Cb 0.28 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1s4k h ARG 11 CO -0.01 0.76 -0.71 0.00 -1.51 0.00 0.00 179.97 178.50 1s4k h ARG 12 N 1.15 0.67 -0.85 0.20 3.08 -0.90 -1.18 114.38 116.55 1s4k h ARG 12 Ca 0.31 -0.51 0.05 0.00 0.07 0.00 0.00 59.98 59.89 1s4k h ARG 12 Cb -0.10 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1s4k h ARG 12 CO -0.06 1.13 0.56 0.82 -1.07 0.00 0.00 179.97 181.35 1s4k h ILE 13 N 0.47 1.10 -0.37 2.04 1.08 -0.38 -1.17 117.51 120.27 1s4k h ILE 13 Ca -0.03 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1s4k h ILE 13 Cb 1.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1s4k h ILE 13 CO 0.14 0.18 0.00 0.49 -0.69 0.00 0.00 178.15 178.27 1s4k n PHE 14 N -4.47 0.48 -2.89 1.37 3.72 -0.47 -4.64 117.46 110.57 1s4k n PHE 14 Ca 0.12 -0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.26 1s4k n PHE 14 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1s4k n PHE 14 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1s4k n ASP 15 N 1.06 -4.84 -4.27 4.37 2.03 -0.45 -4.86 116.55 109.59 1s4k n ASP 15 Ca 0.18 1.09 -0.15 0.00 0.52 0.00 0.00 54.79 56.43 1s4k n ASP 15 Cb 0.49 -3.22 -0.10 0.00 -0.72 0.00 0.00 41.12 37.57 1s4k n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1s4k s THR 17 N -0.46 1.24 0.25 5.18 -4.23 -1.26 -5.03 115.64 111.34 1s4k s THR 17 Ca -0.11 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 1s4k s THR 17 Cb 0.01 -1.91 0.24 0.00 1.34 0.00 0.00 72.50 72.17 1s4k s THR 17 CO 0.36 -0.69 1.85 0.40 -0.54 0.00 0.00 174.62 175.99 1s4k h ILE 18 N 2.72 1.00 -0.52 2.99 2.04 -1.99 -0.87 117.51 122.89 1s4k h ILE 18 Ca -0.37 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.21 1s4k h ILE 18 Cb 1.20 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1s4k h ILE 18 CO 0.63 0.18 0.23 -0.33 0.00 0.00 0.00 178.15 178.87 1s4k h GLU 19 N 0.98 0.44 -0.16 2.37 3.07 -1.99 -0.77 114.58 118.52 1s4k h GLU 19 Ca 0.41 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.19 1s4k h GLU 19 Cb 0.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1s4k h GLU 19 CO -0.20 0.29 -0.12 0.93 -1.40 0.00 0.00 179.01 178.51 1s4k h GLU 20 N 0.45 0.25 -0.39 2.33 5.08 -1.65 -2.00 114.58 118.65 1s4k h GLU 20 Ca 0.24 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1s4k h GLU 20 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1s4k h GLU 20 CO -0.20 0.38 -0.21 0.00 -1.00 0.00 0.00 179.01 177.98 1s4k h THR 22 N 0.68 0.16 0.03 0.00 1.35 -0.62 0.15 112.91 114.67 1s4k h THR 22 Ca 0.10 -0.92 -0.14 0.00 -0.55 0.00 0.00 66.41 64.90 1s4k h THR 22 Cb 0.72 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1s4k h THR 22 CO 0.06 0.08 -0.71 0.40 -0.25 0.00 0.00 175.52 175.09 1s4k h ILE 23 N 0.00 1.36 0.00 6.82 2.04 -1.10 -0.02 117.51 126.61 1s4k h ILE 23 Ca -0.00 -2.32 -0.12 0.00 1.00 0.00 0.00 64.86 63.43 1s4k h ILE 23 Cb 0.79 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 1s4k h ILE 23 CO 0.01 0.54 -1.93 -1.22 0.00 0.00 0.00 178.15 175.55 1s4k n TYR 24 N -4.40 0.22 -0.11 1.37 4.01 -0.34 -3.66 117.16 114.26 1s4k n TYR 24 Ca -0.20 0.07 -0.19 0.00 -0.16 0.00 0.00 57.90 57.42 1s4k n TYR 24 Cb 0.64 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.86 1s4k n TYR 24 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1s4k n ILE 25 N -2.51 1.48 0.21 -0.72 5.41 0.48 -4.58 119.36 119.13 1s4k n ILE 25 Ca -0.12 -0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.64 1s4k n ILE 25 Cb 0.75 -2.10 0.09 0.00 -0.71 0.00 0.00 39.64 37.67 1s4k n ILE 25 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1s4k h THR 26 N -0.97 0.00 -6.33 1.39 1.35 -1.58 -3.48 112.91 103.29 1s4k h THR 26 Ca -0.34 -0.92 -0.48 0.00 -0.55 0.00 0.00 66.41 64.13 1s4k h THR 26 Cb 1.28 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.26 1s4k h THR 26 CO -0.20 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 174.27 1s4k n GLN 27 N -2.73 -4.93 0.00 4.72 6.02 -0.76 -4.83 117.38 114.88 1s4k n GLN 27 Ca 0.02 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1s4k n GLN 27 Cb 0.53 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.49 1s4k n GLN 27 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1s4k n ASP 28 N -2.87 0.00 -0.96 1.08 5.68 -0.24 -4.99 116.55 114.25 1s4k n ASP 28 Ca -0.05 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.12 1s4k n ASP 28 Cb 0.57 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 1s4k n ASP 28 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1s4k n ASN 29 N 0.00 -5.27 -4.50 -1.12 3.02 -0.19 -4.89 115.26 102.30 1s4k n ASN 29 Ca 0.00 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.41 1s4k n ASN 29 Cb 0.36 -4.06 -0.01 0.00 -0.61 0.00 0.00 39.78 35.46 1s4k n ASN 29 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s4k s ASN 30 N -2.34 6.83 0.34 6.41 3.84 -1.26 -4.79 114.94 123.97 1s4k s ASN 30 Ca 0.00 -2.41 0.14 0.00 0.21 0.00 0.00 52.86 50.80 1s4k s ASN 30 Cb 0.00 -2.47 0.61 0.00 -0.55 0.00 0.00 41.25 38.84 1s4k s ASN 30 CO 0.00 -1.03 1.74 0.28 -2.79 0.00 0.00 177.10 175.29 1s4k h SER 31 N 8.06 0.00 -0.07 -4.21 0.02 -1.91 -2.98 113.55 112.45 1s4k h SER 31 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1s4k h SER 31 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1s4k h SER 31 CO 1.29 0.46 0.05 0.00 -1.14 0.00 0.00 176.83 177.48 1s4k h ALA 32 N 1.54 0.09 -0.64 3.77 0.00 -2.00 -0.52 119.26 121.51 1s4k h ALA 32 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1s4k h ALA 32 Cb 0.86 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1s4k h ALA 32 CO 0.06 -0.42 0.18 1.15 0.00 0.00 0.00 179.25 180.22 1s4k h THR 33 N 0.09 1.25 -0.81 0.00 2.02 -1.96 -1.96 112.91 111.54 1s4k h THR 33 Ca 0.03 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1s4k h THR 33 Cb -0.01 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1s4k h THR 33 CO -0.01 0.34 0.38 -0.25 0.37 0.00 0.00 175.52 176.35 1s4k h TRP 34 N 0.93 1.17 -0.30 3.16 2.91 -1.34 -1.56 115.95 120.93 1s4k h TRP 34 Ca 0.20 -0.06 -0.09 0.00 1.13 0.00 0.00 58.89 60.08 1s4k h TRP 34 Cb 0.33 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1s4k h TRP 34 CO 0.02 0.85 -0.19 1.96 -1.03 0.00 0.00 178.44 180.05 1s4k h GLN 35 N 1.16 0.54 -0.56 2.65 4.20 -0.80 -1.73 115.11 120.57 1s4k h GLN 35 Ca 0.28 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1s4k h GLN 35 Cb 0.12 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1s4k h GLN 35 CO -0.03 0.71 0.21 0.00 -0.67 0.00 0.00 178.83 179.04 1s4k h ARG 36 N 0.49 0.81 -0.26 1.46 3.08 -0.62 0.15 114.38 119.49 1s4k h ARG 36 Ca 0.08 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1s4k h ARG 36 Cb 0.61 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1s4k h ARG 36 CO 0.04 0.68 0.00 -1.49 -1.07 0.00 0.00 179.97 178.13 1s4k h TRP 37 N 0.80 0.50 0.00 3.04 6.55 -0.66 -0.79 115.95 125.38 1s4k h TRP 37 Ca 0.19 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.93 1s4k h TRP 37 Cb 0.18 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1s4k h TRP 37 CO 0.01 0.61 -0.05 0.93 -1.05 0.00 0.00 178.44 178.89 1s4k h GLU 38 N 0.24 0.00 0.00 0.49 5.08 -0.94 -2.06 114.58 117.39 1s4k h GLU 38 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s4k h GLU 38 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1s4k h GLU 38 CO 0.01 0.05 -0.41 0.00 -1.00 0.00 0.00 179.01 177.67 1s4k n ALA 39 N -2.12 3.11 -1.07 3.43 0.00 0.01 -4.71 120.51 119.15 1s4k n ALA 39 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1s4k n ALA 39 Cb 0.35 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1s4k n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4k n GLY 40 N 1.45 0.57 0.23 0.00 0.00 -0.60 -4.91 105.19 101.94 1s4k n GLY 40 Ca 0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 1s4k n GLY 40 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s4k h ASP 41 N 0.00 0.41 -5.01 1.61 3.32 -1.44 -3.44 116.42 111.87 1s4k h ASP 41 Ca -0.05 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.74 1s4k h ASP 41 Cb 0.26 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 39.50 1s4k h ASP 41 CO 0.07 0.65 -0.45 0.27 -1.72 0.00 0.00 179.24 178.07 1s4k s ILE 42 N -4.52 0.09 0.65 0.35 -4.36 -1.24 -5.07 121.20 107.10 1s4k s ILE 42 Ca -0.06 -0.72 -0.17 0.00 -0.26 0.00 0.00 60.65 59.43 1s4k s ILE 42 Cb 0.14 -0.56 -0.01 0.00 1.25 0.00 0.00 42.46 43.28 1s4k s ILE 42 CO 0.78 -0.40 1.21 -2.16 0.24 0.00 0.00 174.94 174.61 1s4k s PRO 43 N -1.64 2.65 0.36 0.37 0.04 -1.26 -4.39 135.00 131.12 1s4k s PRO 43 Ca -0.13 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1s4k s PRO 43 Cb -0.06 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1s4k s PRO 43 CO 0.01 -1.45 1.19 0.42 0.04 0.00 0.00 177.00 177.21 1s4k s ILE 44 N -1.73 3.10 0.20 0.56 1.01 -1.26 -4.95 121.20 118.13 1s4k s ILE 44 Ca 0.77 1.01 -0.32 0.00 0.00 0.00 0.00 60.65 62.10 1s4k s ILE 44 Cb -0.30 -3.61 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 1s4k s ILE 44 CO 0.38 0.17 1.73 -0.24 0.00 0.00 0.00 174.94 176.98 1s4k n SER 45 N 0.51 3.99 -0.21 3.58 2.88 -1.26 -4.86 113.62 118.25 1s4k n SER 45 Ca 0.02 1.06 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 1s4k n SER 45 Cb 0.45 -1.57 0.47 0.00 -0.75 0.00 0.00 64.21 62.80 1s4k n SER 45 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1s4k h PRO 46 N 6.86 0.49 -0.60 -1.46 0.11 -2.00 -0.61 132.00 134.79 1s4k h PRO 46 Ca -0.43 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1s4k h PRO 46 Cb 1.20 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1s4k h PRO 46 CO 0.96 0.32 0.13 1.49 -0.21 0.00 0.00 178.00 180.69 1s4k h GLU 47 N 0.50 0.95 -0.07 1.05 4.57 -2.00 -1.89 114.58 117.69 1s4k h GLU 47 Ca 0.41 -0.22 -0.21 0.00 -1.18 0.00 0.00 59.36 58.16 1s4k h GLU 47 Cb 0.84 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1s4k h GLU 47 CO -0.15 0.86 -0.81 0.82 -1.18 0.00 0.00 179.01 178.54 1s4k h ILE 48 N 0.91 1.36 -0.55 2.32 1.08 -1.52 -2.40 117.51 118.71 1s4k h ILE 48 Ca 0.19 -2.19 0.04 0.00 -0.39 0.00 0.00 64.86 62.51 1s4k h ILE 48 Cb 0.35 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 1s4k h ILE 48 CO 0.00 0.66 0.30 0.40 -0.69 0.00 0.00 178.15 178.83 1s4k h ILE 49 N 0.33 1.00 -0.56 -0.67 2.04 -1.04 0.30 117.51 118.90 1s4k h ILE 49 Ca -0.05 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1s4k h ILE 49 Cb 1.42 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1s4k h ILE 49 CO 0.15 0.11 0.35 0.00 0.00 0.00 0.00 178.15 178.75 1s4k h ALA 50 N 1.27 0.72 -0.36 1.87 0.00 -1.24 0.86 119.26 122.38 1s4k h ALA 50 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s4k h ALA 50 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1s4k h ALA 50 CO -0.14 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.42 1s4k h ARG 51 N 0.70 0.44 -0.73 0.00 2.47 -0.81 -1.55 114.38 114.90 1s4k h ARG 51 Ca 0.22 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.85 1s4k h ARG 51 Cb -0.01 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 1s4k h ARG 51 CO -0.08 0.29 0.20 -0.07 0.56 0.00 0.00 179.97 180.86 1s4k h LEU 52 N 0.45 1.09 -1.19 3.04 3.38 -0.52 -2.55 115.31 119.01 1s4k h LEU 52 Ca 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1s4k h LEU 52 Cb -0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1s4k h LEU 52 CO -0.06 1.03 -0.13 0.11 0.09 0.00 0.00 178.44 179.49 1s4k h LYS 53 N 1.10 0.41 -1.65 1.13 1.57 -0.55 -1.14 116.57 117.44 1s4k h LYS 53 Ca 0.23 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1s4k h LYS 53 Cb 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s4k h LYS 53 CO -0.00 0.54 0.00 -1.91 -0.57 0.00 0.00 179.45 177.51 1s4k n GLU 54 N -4.22 0.57 0.00 3.15 4.07 -0.61 -1.37 120.64 122.24 1s4k n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1s4k n GLU 54 Cb 0.31 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1s4k n GLU 54 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1s4k n LYS 56 N 1.11 0.00 -0.17 5.31 5.02 -0.43 -0.90 118.16 128.09 1s4k n LYS 56 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1s4k n LYS 56 Cb 0.29 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.31 1s4k n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s4k h ALA 57 N 0.00 0.65 -0.75 7.82 0.00 -1.49 -1.02 119.26 124.47 1s4k h ALA 57 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1s4k h ALA 57 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1s4k h ALA 57 CO 0.00 0.26 0.39 0.00 0.00 0.00 0.00 179.25 179.90 1s4k h ARG 58 N 0.66 1.05 -0.35 0.00 3.08 -1.29 -1.55 114.38 115.98 1s4k h ARG 58 Ca 0.17 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1s4k h ARG 58 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1s4k h ARG 58 CO -0.01 0.80 0.23 -0.09 -1.07 0.00 0.00 179.97 179.82 1s4k h ARG 59 N 1.04 0.47 -0.56 0.04 2.43 -1.74 -1.18 114.38 114.89 1s4k h ARG 59 Ca 0.26 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1s4k h ARG 59 Cb 0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1s4k h ARG 59 CO -0.04 0.33 0.20 0.37 -1.51 0.00 0.00 179.97 179.32 1s4k h GLN 60 N 0.47 0.85 -0.70 0.20 5.75 -0.94 -1.46 115.11 119.28 1s4k h GLN 60 Ca 0.13 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1s4k h GLN 60 Cb -0.03 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1s4k h GLN 60 CO -0.03 0.76 0.29 0.00 -2.65 0.00 0.00 178.83 177.20 1s4k h ARG 61 N 0.77 1.02 -0.30 1.69 3.08 -1.10 0.16 114.38 119.69 1s4k h ARG 61 Ca 0.18 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1s4k h ARG 61 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1s4k h ARG 61 CO -0.01 0.82 0.10 -0.09 -1.07 0.00 0.00 179.97 179.71 1s4k h ARG 62 N 1.00 0.47 -0.46 0.04 2.43 -0.87 -0.57 114.38 116.42 1s4k h ARG 62 Ca 0.24 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1s4k h ARG 62 Cb 0.17 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1s4k h ARG 62 CO -0.02 0.51 0.20 0.82 -1.51 0.00 0.00 179.97 179.97 1s4k h ILE 63 N 0.33 1.20 -0.48 1.20 2.04 -0.89 -2.33 117.51 118.58 1s4k h ILE 63 Ca 0.10 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1s4k h ILE 63 Cb 0.23 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1s4k h ILE 63 CO -0.00 0.22 0.30 0.78 0.00 0.00 0.00 178.15 179.45 1s4k h ASN 64 N 0.60 0.57 -0.47 1.72 2.35 -0.52 -1.00 115.58 118.83 1s4k h ASN 64 Ca 0.16 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1s4k h ASN 64 Cb 0.16 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1s4k h ASN 64 CO -0.02 0.44 0.31 0.00 -1.65 0.00 0.00 177.43 176.51 1s4k h ALA 65 N 1.15 0.60 -0.22 -0.83 0.00 -0.96 -0.08 119.26 118.92 1s4k h ALA 65 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1s4k h ALA 65 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1s4k h ALA 65 CO -0.03 0.03 -0.14 0.82 0.00 0.00 0.00 179.25 179.92 1s4k h ILE 66 N 0.62 1.31 -0.60 0.00 2.04 -1.26 -2.91 117.51 116.71 1s4k h ILE 66 Ca 0.18 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1s4k h ILE 66 Cb -0.05 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1s4k h ILE 66 CO -0.05 0.38 0.29 0.58 0.00 0.00 0.00 178.15 179.36 1s4k h VAL 67 N 0.19 1.20 -0.64 1.67 2.07 -1.07 -1.60 116.25 118.08 1s4k h VAL 67 Ca 0.05 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1s4k h VAL 67 Cb 0.66 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1s4k h VAL 67 CO 0.04 0.23 0.42 -0.78 0.02 0.00 0.00 177.57 177.50 1s4k h ASP 68 N 0.85 0.74 1.04 0.57 3.58 -0.92 -2.14 116.42 120.14 1s4k h ASP 68 Ca 0.21 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.47 1s4k h ASP 68 Cb 0.08 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1s4k h ASP 68 CO -0.03 0.54 -0.83 0.11 -2.88 0.00 0.00 179.24 176.15 1s4k h LYS 69 N 0.87 0.00 0.41 0.28 1.79 -1.15 -3.11 116.57 115.66 1s4k h LYS 69 Ca 0.23 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1s4k h LYS 69 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1s4k h LYS 69 CO -0.05 0.83 -0.20 0.82 -1.08 0.00 0.00 179.45 179.77 1s4k h ILE 70 N 0.00 0.38 0.00 1.86 2.04 -0.69 -2.96 117.51 118.15 1s4k h ILE 70 Ca -0.01 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1s4k h ILE 70 Cb 1.57 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1s4k h ILE 70 CO 0.11 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1s4k n ASN 71 N -5.17 0.00 -0.23 1.72 4.13 -0.94 -1.93 115.26 112.84 1s4k n ASN 71 Ca -0.09 -0.84 0.10 0.00 1.68 0.00 0.00 54.58 55.44 1s4k n ASN 71 Cb 0.28 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.46 1s4k n ASN 71 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1s4k n ASN 72 N -0.99 1.47 -3.50 6.41 5.03 -1.17 -4.96 115.26 117.55 1s4k n ASN 72 Ca 0.19 -1.24 -0.22 0.00 0.87 0.00 0.00 54.58 54.19 1s4k n ASN 72 Cb 0.09 0.76 -0.07 0.00 -1.02 0.00 0.00 39.78 39.53 1s4k n ASN 72 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1s4k n ARG 73 N -0.80 0.49 -3.89 3.52 3.00 -0.81 -5.06 116.66 113.10 1s4k n ARG 73 Ca 0.06 -3.34 -0.11 0.00 -0.00 0.00 0.00 57.85 54.47 1s4k n ARG 73 Cb 0.39 2.28 -0.10 0.00 0.00 0.00 0.00 32.46 35.03 1s4k n ARG 73 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1s4k s ILE 74 N -3.20 0.08 0.00 5.15 2.07 -1.26 -4.84 121.20 119.20 1s4k s ILE 74 Ca 0.30 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1s4k s ILE 74 Cb 0.01 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.23 1s4k s ILE 74 CO 0.21 -0.37 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 1s4k n GLY 75 N 1.62 1.79 3.57 1.50 0.00 -1.26 -5.03 105.19 107.37 1s4k n GLY 75 Ca -0.22 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 1s4k n GLY 75 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4k s ASN 76 N 0.00 5.55 -0.31 1.61 0.01 -1.26 -4.97 114.94 115.57 1s4k s ASN 76 Ca 0.00 0.71 -0.18 0.00 -0.71 0.00 0.00 52.86 52.68 1s4k s ASN 76 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 1s4k s ASN 76 CO 0.00 -2.09 0.51 0.20 -1.51 0.00 0.00 177.10 174.21 1s4k s ASN 77 N 7.16 6.37 0.29 -1.22 0.01 -1.26 -5.08 114.94 121.20 1s4k s ASN 77 Ca 0.71 0.23 0.03 0.00 -0.71 0.00 0.00 52.86 53.13 1s4k s ASN 77 Cb -0.16 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 1s4k s ASN 77 CO 0.26 -0.39 0.17 -0.89 -1.51 0.00 0.00 177.10 174.74 1s4k s THR 78 N 2.36 0.21 0.08 1.60 2.01 -1.26 -1.94 115.64 118.70 1s4k s THR 78 Ca 0.20 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.23 1s4k s THR 78 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1s4k s THR 78 CO 0.11 0.00 0.07 -0.13 -0.69 0.00 0.00 174.62 173.99 1s4k s ARG 80 N -3.83 2.86 -0.12 4.92 1.81 -1.26 -4.93 118.95 118.39 1s4k s ARG 80 Ca 0.37 -0.70 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 1s4k s ARG 80 Cb 0.05 -2.72 0.02 0.00 -0.45 0.00 0.00 34.95 31.85 1s4k s ARG 80 CO 0.18 0.57 -0.13 -0.47 -0.68 0.00 0.00 175.30 174.77 1s4k s TYR 81 N -1.38 1.92 -0.43 -0.53 5.04 -0.78 -4.79 117.35 116.39 1s4k s TYR 81 Ca 0.29 -0.99 -0.08 0.00 -2.44 0.00 0.00 57.07 53.85 1s4k s TYR 81 Cb -0.12 -1.43 0.10 0.00 0.35 0.00 0.00 41.96 40.85 1s4k s TYR 81 CO 0.22 -0.56 0.28 -0.06 -1.34 0.00 0.00 175.55 174.08 1s4k s PHE 82 N 1.35 3.39 0.54 4.97 0.40 -1.26 -4.91 117.98 122.46 1s4k s PHE 82 Ca 0.01 -1.76 0.22 0.00 -0.60 0.00 0.00 56.93 54.80 1s4k s PHE 82 Cb -0.14 -3.15 1.42 0.00 0.51 0.00 0.00 43.02 41.67 1s4k s PHE 82 CO -0.07 -0.91 2.10 -1.35 0.70 0.00 0.00 175.22 175.69 1s4k h PRO 83 N 8.37 0.00 -4.63 0.24 0.11 -1.99 -3.44 132.00 130.66 1s4k h PRO 83 Ca -0.21 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.67 1s4k h PRO 83 Cb 1.07 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 1s4k h PRO 83 CO 0.78 0.00 -0.67 0.16 -0.21 0.00 0.00 178.00 178.06 1s4k s ASP 84 N -6.50 0.94 0.24 -2.05 1.47 -1.26 -5.06 116.67 104.45 1s4k s ASP 84 Ca -0.05 -1.12 -0.07 0.00 1.18 0.00 0.00 52.55 52.49 1s4k s ASP 84 Cb 0.17 0.16 0.22 0.00 -0.34 0.00 0.00 42.92 43.13 1s4k s ASP 84 CO 0.66 -0.58 1.91 0.25 0.68 0.00 0.00 175.17 178.09 1s4k h LEU 85 N 2.85 1.07 -0.77 2.11 5.85 -2.00 -2.70 115.31 121.71 1s4k h LEU 85 Ca -0.36 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1s4k h LEU 85 Cb 1.19 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1s4k h LEU 85 CO 0.63 0.78 0.49 0.77 -0.34 0.00 0.00 178.44 180.78 1s4k h SER 86 N 1.25 0.82 -0.29 1.25 4.64 -1.97 0.45 113.55 119.70 1s4k h SER 86 Ca 0.33 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.57 1s4k h SER 86 Cb -0.12 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 1s4k h SER 86 CO -0.07 0.57 -0.06 0.77 -0.87 0.00 0.00 176.83 177.17 1s4k h SER 87 N 0.97 0.65 -0.65 4.97 4.64 -1.89 -2.13 113.55 120.11 1s4k h SER 87 Ca 0.30 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1s4k h SER 87 Cb -0.01 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 1s4k h SER 87 CO -0.10 0.76 0.19 0.15 -0.87 0.00 0.00 176.83 176.95 1s4k h PHE 88 N 0.62 1.06 0.00 4.77 3.57 -0.99 -2.49 116.94 123.48 1s4k h PHE 88 Ca 0.12 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s4k h PHE 88 Cb 0.48 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1s4k h PHE 88 CO 0.02 0.87 0.00 1.04 -2.23 0.00 0.00 178.31 178.01 1s4k n GLN 89 N -4.34 0.10 0.23 1.11 6.02 0.05 -0.97 117.38 119.59 1s4k n GLN 89 Ca 0.04 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 1s4k n GLN 89 Cb 0.23 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.40 1s4k n GLN 89 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1s4k h SER 90 N 0.00 0.00 0.00 1.08 4.64 -0.91 -3.12 113.55 115.24 1s4k h SER 90 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1s4k h SER 90 Cb 0.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1s4k h SER 90 CO 0.00 0.12 -1.96 -0.38 -0.87 0.00 0.00 176.83 173.74 1s4k n ILE 91 N -3.20 0.94 -3.34 0.95 2.08 -0.98 -4.74 119.36 111.07 1s4k n ILE 91 Ca 0.01 -0.24 -0.44 0.00 0.56 0.00 0.00 62.75 62.65 1s4k n ILE 91 Cb 0.44 -1.73 -0.01 0.00 -0.75 0.00 0.00 39.64 37.60 1s4k n ILE 91 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1s4k n TYR 92 N -3.76 4.82 0.28 1.39 4.02 -0.14 -4.88 117.16 118.88 1s4k n TYR 92 Ca -0.34 -3.80 0.15 0.00 -0.01 0.00 0.00 57.90 53.91 1s4k n TYR 92 Cb 0.74 -1.58 0.82 0.00 -0.02 0.00 0.00 39.34 39.30 1s4k n TYR 92 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1s4k h THR 93 N 3.66 0.00 -0.13 -0.72 1.35 -1.79 -0.65 112.91 114.62 1s4k h THR 93 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1s4k h THR 93 Cb 0.83 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1s4k h THR 93 CO 1.04 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.69 1s4k n GLU 94 N -2.69 1.50 -2.52 4.72 -0.58 -1.26 -5.02 120.64 114.79 1s4k n GLU 94 Ca -0.02 -1.60 -0.37 0.00 -0.42 0.00 0.00 57.16 54.75 1s4k n GLU 94 Cb 0.22 -1.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.75 1s4k n GLU 94 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s4k s GLY 95 N -1.17 2.77 0.41 0.62 0.00 -0.25 -5.06 107.32 104.64 1s4k s GLY 95 Ca 0.21 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1s4k s GLY 95 CO 0.19 1.19 0.37 2.09 0.00 0.00 0.00 173.10 176.94 1s4k n ASP 96 N 0.04 2.10 -0.09 1.64 5.68 -1.26 -4.91 116.55 119.76 1s4k n ASP 96 Ca 0.04 -2.32 -0.07 0.00 -0.50 0.00 0.00 54.79 51.95 1s4k n ASP 96 Cb 0.49 -0.10 0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1s4k n ASP 96 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1s4k h PHE 97 N 0.49 0.11 -0.72 2.11 3.57 -1.99 -1.27 116.94 119.24 1s4k h PHE 97 Ca -0.24 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.22 1s4k h PHE 97 Cb 0.93 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1s4k h PHE 97 CO 0.00 0.02 0.21 0.82 -2.23 0.00 0.00 178.31 177.14 1s4k h ILE 98 N 0.18 1.26 -0.70 1.41 1.08 -1.96 -0.82 117.51 117.95 1s4k h ILE 98 Ca 0.15 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1s4k h ILE 98 Cb 0.16 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 1s4k h ILE 98 CO -0.19 0.36 0.37 -0.33 -0.69 0.00 0.00 178.15 177.67 1s4k h GLU 99 N 1.07 0.99 -0.33 2.37 5.08 -1.88 -1.02 114.58 120.87 1s4k h GLU 99 Ca 0.23 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1s4k h GLU 99 Cb 0.32 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1s4k h GLU 99 CO -0.01 0.75 0.17 2.35 -1.00 0.00 0.00 179.01 181.28 1s4k h TRP 100 N 0.97 0.46 -0.52 4.33 7.01 -0.73 -0.97 115.95 126.50 1s4k h TRP 100 Ca 0.25 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 1s4k h TRP 100 Cb 0.06 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1s4k h TRP 100 CO -0.00 0.38 0.03 0.87 -2.79 0.00 0.00 178.44 176.94 1s4k h LYS 101 N 0.41 0.86 -0.29 2.65 1.79 -0.84 -0.36 116.57 120.79 1s4k h LYS 101 Ca 0.12 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 1s4k h LYS 101 Cb 0.08 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1s4k h LYS 101 CO -0.02 0.84 0.03 0.82 -1.08 0.00 0.00 179.45 180.04 1s4k h ILE 102 N 0.80 1.24 -0.20 1.86 2.04 -1.05 -1.10 117.51 121.11 1s4k h ILE 102 Ca 0.16 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1s4k h ILE 102 Cb 0.44 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1s4k h ILE 102 CO 0.02 0.28 0.01 0.22 0.00 0.00 0.00 178.15 178.67 1s4k h TYR 103 N 0.30 0.01 -0.93 1.37 3.20 -0.86 -1.41 116.97 118.65 1s4k h TYR 103 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1s4k h TYR 103 Cb 0.38 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1s4k h TYR 103 CO 0.03 -0.02 0.54 1.96 -1.64 0.00 0.00 178.16 179.04 1s4k h GLN 104 N 0.08 1.27 -0.60 1.82 1.08 -0.97 0.18 115.11 117.97 1s4k h GLN 104 Ca 0.10 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1s4k h GLN 104 Cb 0.11 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1s4k h GLN 104 CO -0.15 0.90 0.28 1.03 -0.95 0.00 0.00 178.83 179.94 1s4k h SER 105 N 1.28 0.79 -0.20 1.46 0.87 -0.82 -0.09 113.55 116.84 1s4k h SER 105 Ca 0.33 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1s4k h SER 105 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1s4k h SER 105 CO -0.06 0.70 -0.03 0.58 -0.53 0.00 0.00 176.83 177.50 1s4k h VAL 106 N 0.82 1.27 -0.50 2.23 2.07 -0.74 -1.98 116.25 119.41 1s4k h VAL 106 Ca 0.20 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1s4k h VAL 106 Cb 0.13 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1s4k h VAL 106 CO -0.02 0.29 0.31 0.00 0.02 0.00 0.00 177.57 178.16 1s4k h ALA 107 N 0.76 0.64 -0.61 1.67 0.00 -0.46 -0.59 119.26 120.68 1s4k h ALA 107 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s4k h ALA 107 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1s4k h ALA 107 CO 0.02 0.02 0.29 0.00 0.00 0.00 0.00 179.25 179.58 1s4k h ALA 108 N 1.22 0.79 -0.38 0.00 0.00 -0.96 -1.91 119.26 118.01 1s4k h ALA 108 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1s4k h ALA 108 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1s4k h ALA 108 CO -0.08 0.35 0.08 1.49 0.00 0.00 0.00 179.25 181.09 1s4k h GLU 109 N 0.84 0.62 -0.77 0.00 4.81 -0.97 -1.12 114.58 117.98 1s4k h GLU 109 Ca 0.21 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1s4k h GLU 109 Cb 0.12 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1s4k h GLU 109 CO -0.03 0.66 0.49 -0.07 -0.73 0.00 0.00 179.01 179.33 1s4k h LEU 110 N 0.47 0.91 -0.52 1.64 3.38 -0.96 -0.77 115.31 119.46 1s4k h LEU 110 Ca 0.12 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1s4k h LEU 110 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1s4k h LEU 110 CO 0.00 0.68 -0.31 0.15 0.09 0.00 0.00 178.44 179.06 1s4k h PHE 111 N 1.06 1.02 0.00 1.13 3.57 -1.15 0.10 116.94 122.67 1s4k h PHE 111 Ca 0.28 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1s4k h PHE 111 Cb -0.08 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1s4k h PHE 111 CO 0.00 1.06 -0.19 0.00 -2.23 0.00 0.00 178.31 176.96 1s4k h ALA 112 N 0.91 1.39 -0.25 2.41 0.00 -0.29 -1.53 119.26 121.91 1s4k h ALA 112 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s4k h ALA 112 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1s4k h ALA 112 CO 0.08 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.28 1s4k n HIS 113 N -3.88 0.32 -2.13 0.00 8.25 -0.38 -4.93 115.22 112.47 1s4k n HIS 113 Ca -0.02 -0.16 -0.15 0.00 -0.26 0.00 0.00 57.72 57.13 1s4k n HIS 113 Cb 0.28 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1s4k n HIS 113 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s4k n ASP 114 N 0.66 -4.60 0.01 0.41 10.43 -0.57 -4.90 116.55 118.00 1s4k n ASP 114 Ca 0.17 0.06 0.11 0.00 2.57 0.00 0.00 54.79 57.70 1s4k n ASP 114 Cb 0.40 -3.68 -0.13 0.00 1.84 0.00 0.00 41.12 39.55 1s4k n ASP 114 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s4k n LEU 115 N -2.08 0.18 -3.86 0.64 4.77 -0.00 -4.97 117.00 111.68 1s4k n LEU 115 Ca -0.17 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 1s4k n LEU 115 Cb 0.61 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1s4k n LEU 115 CO 0.21 -0.04 -0.18 -1.61 -1.33 0.00 0.00 177.39 174.45 1s4k s GLU 116 N -3.49 0.44 0.19 3.23 0.41 -1.16 -4.78 118.70 113.55 1s4k s GLU 116 Ca -0.06 -0.31 0.04 0.00 -0.41 0.00 0.00 54.97 54.22 1s4k s GLU 116 Cb 0.13 0.18 -0.03 0.00 -1.78 0.00 0.00 34.13 32.63 1s4k s GLU 116 CO 0.88 -0.10 0.31 1.03 -0.49 0.00 0.00 175.26 176.89 1s4k s ARG 117 N -1.18 3.41 0.00 1.61 1.81 -0.82 -4.16 118.95 119.63 1s4k s ARG 117 Ca -0.13 -0.69 0.04 0.00 -1.72 0.00 0.00 55.73 53.23 1s4k s ARG 117 Cb -0.07 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.49 1s4k s ARG 117 CO 0.01 0.48 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.51 1s4k s LEU 118 N -3.58 3.06 0.00 2.53 1.43 -1.26 -4.35 118.68 116.51 1s4k s LEU 118 Ca 0.34 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1s4k s LEU 118 Cb -0.10 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1s4k s LEU 118 CO 0.28 0.29 0.04 0.00 0.23 0.00 0.00 176.35 177.19