#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4p s ASP 19 N 0.00 5.26 -0.60 -1.43 3.84 -1.26 -5.04 116.67 117.44 1n4p s ASP 19 Ca 0.00 -0.19 -0.27 0.00 -0.00 0.00 0.00 52.55 52.08 1n4p s ASP 19 Cb 0.00 -1.30 0.03 0.00 -1.38 0.00 0.00 42.92 40.27 1n4p s ASP 19 CO 0.00 0.10 1.16 0.12 -0.00 0.00 0.00 175.17 176.55 1n4p s PHE 20 N -1.65 2.59 -1.12 2.11 5.36 -1.26 -4.94 117.98 119.07 1n4p s PHE 20 Ca 0.29 0.26 -0.11 0.00 -0.96 0.00 0.00 56.93 56.41 1n4p s PHE 20 Cb -0.10 -4.46 -0.07 0.00 -0.34 0.00 0.00 43.02 38.05 1n4p s PHE 20 CO 0.21 -1.62 2.28 1.28 -1.46 0.00 0.00 175.22 175.91 1n4p n LEU 21 N 8.41 5.89 -0.29 6.12 4.32 -1.26 -4.80 117.00 135.39 1n4p n LEU 21 Ca 0.06 -3.39 0.01 0.00 -0.02 0.00 0.00 56.01 52.68 1n4p n LEU 21 Cb 0.49 -1.28 0.08 0.00 -1.62 0.00 0.00 43.42 41.09 1n4p n LEU 21 CO 0.70 0.82 0.68 -0.09 -1.22 0.00 0.00 177.39 178.28 1n4p h ARG 22 N 6.29 -0.02 -0.76 3.23 2.43 -1.96 -1.47 114.38 122.12 1n4p h ARG 22 Ca 0.58 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1n4p h ARG 22 Cb 0.35 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1n4p h ARG 22 CO 1.69 -0.01 0.47 -0.44 -1.51 0.00 0.00 179.97 180.16 1n4p h ASP 23 N -0.02 0.91 -0.25 -3.80 3.32 -2.00 -1.71 116.42 112.87 1n4p h ASP 23 Ca 0.37 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1n4p h ASP 23 Cb 0.59 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1n4p h ASP 23 CO -0.84 0.70 0.11 -0.09 -1.72 0.00 0.00 179.24 177.40 1n4p h ARG 24 N 1.04 0.43 -0.02 3.56 2.43 -1.69 -1.54 114.38 118.59 1n4p h ARG 24 Ca 0.27 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.22 1n4p h ARG 24 Cb -0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1n4p h ARG 24 CO -0.05 0.37 -0.76 0.45 -1.51 0.00 0.00 179.97 178.47 1n4p h HIS 25 N 0.43 0.21 -0.46 2.20 3.86 -0.94 -1.90 115.15 118.55 1n4p h HIS 25 Ca 0.11 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1n4p h HIS 25 Cb 0.11 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1n4p h HIS 25 CO 0.00 0.85 0.15 0.28 0.86 0.00 0.00 177.93 180.07 1n4p h VAL 26 N 0.09 1.22 -0.39 2.45 2.07 -0.43 -1.58 116.25 119.68 1n4p h VAL 26 Ca -0.02 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1n4p h VAL 26 Cb 1.33 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1n4p h VAL 26 CO 0.11 0.26 0.21 -0.09 0.02 0.00 0.00 177.57 178.08 1n4p h ARG 27 N 0.60 0.54 -0.28 1.57 9.65 -1.27 -1.64 114.38 123.56 1n4p h ARG 27 Ca 0.15 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 1n4p h ARG 27 Cb 0.25 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1n4p h ARG 27 CO -0.01 0.44 -0.11 0.35 2.80 0.00 0.00 179.97 183.45 1n4p h PHE 28 N 0.50 -0.26 -0.42 2.20 3.57 -1.07 -0.58 116.94 120.88 1n4p h PHE 28 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1n4p h PHE 28 Cb 0.06 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1n4p h PHE 28 CO -0.02 -0.17 0.07 0.74 -2.23 0.00 0.00 178.31 176.69 1n4p h PHE 29 N -0.06 0.65 -0.76 0.41 0.05 -1.05 -2.28 116.94 113.90 1n4p h PHE 29 Ca 0.14 -0.06 -0.05 0.00 3.82 0.00 0.00 57.97 61.83 1n4p h PHE 29 Cb 0.28 -0.19 -0.03 0.00 2.00 0.00 0.00 35.95 38.00 1n4p h PHE 29 CO -0.31 0.58 0.28 1.96 -0.18 0.00 0.00 178.31 180.64 1n4p h GLN 30 N 0.62 1.16 0.00 1.51 4.20 -0.31 -2.20 115.11 120.08 1n4p h GLN 30 Ca 0.14 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1n4p h GLN 30 Cb 0.28 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1n4p h GLN 30 CO 0.00 0.96 -0.31 0.00 -0.67 0.00 0.00 178.83 178.81 1n4p h ARG 31 N 1.12 0.00 -0.31 1.46 3.08 -0.71 -2.73 114.38 116.28 1n4p h ARG 31 Ca 0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 1n4p h ARG 31 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1n4p h ARG 31 CO -0.02 0.31 -0.14 0.00 -1.07 0.00 0.00 179.97 179.05 1n4p n LEU 33 N -4.18 0.02 0.00 0.00 7.99 -1.04 -4.75 117.00 115.04 1n4p n LEU 33 Ca 0.01 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 1n4p n LEU 33 Cb 0.35 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1n4p n LEU 33 CO 0.41 -0.01 0.00 0.00 -1.51 0.00 0.00 177.39 176.28 1n4p n GLN 34 N -1.52 0.00 -5.20 3.23 6.02 -0.93 -5.06 117.38 113.92 1n4p n GLN 34 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.75 1n4p n GLN 34 Cb 0.34 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.43 1n4p n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n4p s VAL 35 N 1.23 1.98 0.05 5.09 1.01 -1.26 -5.12 120.40 123.38 1n4p s VAL 35 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1n4p s VAL 35 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1n4p s VAL 35 CO 0.00 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 174.83 1n4p s LEU 36 N -0.01 3.23 0.88 3.92 1.43 -1.26 -4.99 118.68 121.89 1n4p s LEU 36 Ca -0.08 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1n4p s LEU 36 Cb -0.15 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.26 1n4p s LEU 36 CO 0.05 0.23 1.11 -2.84 0.23 0.00 0.00 176.35 175.12 1n4p s PRO 37 N -1.87 1.37 0.40 1.29 0.02 -1.26 -4.89 135.00 130.07 1n4p s PRO 37 Ca 0.21 1.22 0.27 0.00 0.02 0.00 0.00 61.00 62.72 1n4p s PRO 37 Cb -0.11 -1.79 1.47 0.00 0.02 0.00 0.00 34.50 34.08 1n4p s PRO 37 CO 0.12 -2.28 1.84 1.49 -0.33 0.00 0.00 177.00 177.84 1n4p h GLU 38 N -1.59 0.00 0.00 5.54 4.81 -2.03 -2.19 114.58 119.11 1n4p h GLU 38 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1n4p h GLU 38 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1n4p h GLU 38 CO 0.48 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.65 1n4p n ARG 39 N -2.46 0.08 -0.50 1.92 0.00 -1.26 -1.65 116.66 112.78 1n4p n ARG 39 Ca -0.02 0.25 0.10 0.00 -0.00 0.00 0.00 57.85 58.18 1n4p n ARG 39 Cb 0.06 -1.50 0.33 0.00 -0.00 0.00 0.00 32.46 31.34 1n4p n ARG 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1n4p n TYR 40 N -1.39 1.23 -0.12 2.89 4.02 -0.82 -4.60 117.16 118.36 1n4p n TYR 40 Ca 0.04 -0.58 0.27 0.00 -0.01 0.00 0.00 57.90 57.62 1n4p n TYR 40 Cb 0.10 -0.16 0.72 0.00 -0.02 0.00 0.00 39.34 39.99 1n4p n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4p h SER 41 N 3.89 0.00 0.36 7.72 4.64 -1.52 0.22 113.55 128.87 1n4p h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4p h SER 41 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n4p h SER 41 CO 0.14 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 1n4p n SER 42 N -4.06 0.00 -0.77 4.97 3.41 -1.26 -2.15 113.62 113.76 1n4p n SER 42 Ca 0.17 0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1n4p n SER 42 Cb 0.93 -0.28 0.16 0.00 -0.26 0.00 0.00 64.21 64.75 1n4p n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4p n LEU 43 N -1.28 2.51 -0.19 1.04 4.77 0.07 -4.56 117.00 119.35 1n4p n LEU 43 Ca 0.09 -0.85 -0.05 0.00 -0.03 0.00 0.00 56.01 55.18 1n4p n LEU 43 Cb 0.15 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1n4p n LEU 43 CO 0.15 0.43 0.65 -0.08 -1.33 0.00 0.00 177.39 177.20 1n4p h GLU 44 N 3.77 -0.14 0.00 3.23 4.57 -1.57 0.25 114.58 124.69 1n4p h GLU 44 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1n4p h GLU 44 Cb 0.86 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1n4p h GLU 44 CO 0.00 -0.09 0.00 0.25 -1.18 0.00 0.00 179.01 177.99 1n4p n THR 45 N -5.43 0.00 -2.67 0.32 -2.24 -1.26 -3.18 114.28 99.82 1n4p n THR 45 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1n4p n THR 45 Cb 0.35 -0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1n4p n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n4p n SER 46 N -0.77 1.19 0.17 3.42 3.41 0.02 -4.06 113.62 116.99 1n4p n SER 46 Ca 0.09 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.72 1n4p n SER 46 Cb 0.04 -0.36 0.39 0.00 -0.26 0.00 0.00 64.21 64.03 1n4p n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n4p h ARG 47 N 1.81 0.09 -0.55 4.33 3.08 -1.19 -2.66 114.38 119.29 1n4p h ARG 47 Ca -0.20 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1n4p h ARG 47 Cb 1.55 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 1n4p h ARG 47 CO 0.13 0.35 0.23 1.25 -1.07 0.00 0.00 179.97 180.85 1n4p h LEU 48 N 0.09 0.72 -0.38 3.04 5.85 -1.56 0.05 115.31 123.12 1n4p h LEU 48 Ca 0.01 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1n4p h LEU 48 Cb 0.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1n4p h LEU 48 CO 0.04 0.65 -0.34 0.71 -0.34 0.00 0.00 178.44 179.15 1n4p h THR 49 N 0.79 0.64 -0.39 1.05 1.35 -1.77 -0.69 112.91 113.89 1n4p h THR 49 Ca 0.19 -1.68 -0.16 0.00 -0.55 0.00 0.00 66.41 64.21 1n4p h THR 49 Cb 0.15 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1n4p h THR 49 CO -0.02 0.33 -0.37 0.40 -0.25 0.00 0.00 175.52 175.62 1n4p h ILE 50 N 0.00 1.27 -0.69 6.82 1.08 -1.21 -1.78 117.51 123.00 1n4p h ILE 50 Ca -0.00 -1.54 -0.01 0.00 -0.39 0.00 0.00 64.86 62.92 1n4p h ILE 50 Cb 1.11 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 1n4p h ILE 50 CO 0.04 0.52 0.40 0.00 -0.69 0.00 0.00 178.15 178.42 1n4p h ALA 51 N 0.81 0.88 -0.04 1.87 0.00 -0.64 -2.29 119.26 119.84 1n4p h ALA 51 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n4p h ALA 51 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1n4p h ALA 51 CO 0.09 0.37 -0.05 0.35 0.00 0.00 0.00 179.25 180.01 1n4p h PHE 52 N 0.94 -0.12 -0.54 0.00 3.57 -0.84 0.25 116.94 120.20 1n4p h PHE 52 Ca 0.25 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1n4p h PHE 52 Cb -0.00 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1n4p h PHE 52 CO -0.01 -0.08 0.19 0.74 -2.23 0.00 0.00 178.31 176.92 1n4p h PHE 53 N -0.07 0.34 -0.20 0.41 0.05 -1.07 0.29 116.94 116.69 1n4p h PHE 53 Ca 0.04 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.80 1n4p h PHE 53 Cb 0.12 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1n4p h PHE 53 CO -0.14 0.10 -0.10 0.00 -0.18 0.00 0.00 178.31 177.99 1n4p h ALA 54 N 1.36 0.28 -0.12 2.45 0.00 -1.06 0.14 119.26 122.31 1n4p h ALA 54 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1n4p h ALA 54 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n4p h ALA 54 CO -0.27 0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 178.97 1n4p h LEU 55 N 0.11 0.25 -1.24 0.00 3.38 -0.30 0.85 115.31 118.36 1n4p h LEU 55 Ca 0.04 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1n4p h LEU 55 Cb 0.58 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1n4p h LEU 55 CO 0.03 0.60 -0.37 -1.28 0.09 0.00 0.00 178.44 177.51 1n4p h SER 56 N -0.10 0.00 -0.37 -0.43 0.87 -0.49 -0.32 113.55 112.71 1n4p h SER 56 Ca 0.03 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 1n4p h SER 56 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1n4p h SER 56 CO 0.02 0.37 -0.40 1.23 -0.53 0.00 0.00 176.83 177.52 1n4p h GLY 57 N 1.22 1.00 1.56 5.77 0.00 -0.52 -0.05 103.07 112.06 1n4p h GLY 57 Ca -0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 47.33 46.15 1n4p h GLY 57 CO 0.05 0.95 -0.39 1.41 0.00 0.00 0.00 176.54 178.56 1n4p h LEU 58 N 0.73 0.52 -0.20 3.11 3.38 -0.37 -2.00 115.31 120.47 1n4p h LEU 58 Ca 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1n4p h LEU 58 Cb 1.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1n4p h LEU 58 CO 0.10 0.86 0.06 -0.78 0.09 0.00 0.00 178.44 178.77 1n4p h ASP 59 N 0.41 0.30 -0.06 -0.43 -0.00 -0.93 0.27 116.42 115.98 1n4p h ASP 59 Ca 0.04 -0.20 0.02 0.00 -0.00 0.00 0.00 57.03 56.88 1n4p h ASP 59 Cb 0.86 -0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 40.11 1n4p h ASP 59 CO 0.07 0.42 0.05 -0.03 -0.00 0.00 0.00 179.24 179.75 1n4p h MET 60 N 0.16 0.00 -0.39 0.28 4.05 -0.75 0.16 114.93 118.44 1n4p h MET 60 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1n4p h MET 60 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1n4p h MET 60 CO -0.00 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.42 1n4p n LEU 61 N -4.37 3.30 -3.56 3.39 4.77 -0.78 -0.35 117.00 119.40 1n4p n LEU 61 Ca -0.01 -1.43 -0.22 0.00 -0.03 0.00 0.00 56.01 54.31 1n4p n LEU 61 Cb 0.15 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1n4p n LEU 61 CO 0.33 0.72 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.41 1n4p n ASP 62 N 1.38 -3.57 -1.21 -1.43 2.03 0.54 -4.93 116.55 109.37 1n4p n ASP 62 Ca 0.19 -0.82 0.04 0.00 0.52 0.00 0.00 54.79 54.72 1n4p n ASP 62 Cb 0.58 -4.28 0.04 0.00 -0.72 0.00 0.00 41.12 36.74 1n4p n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4p n SER 63 N -3.01 0.95 0.09 1.67 7.64 0.73 -4.85 113.62 116.84 1n4p n SER 63 Ca -0.19 -2.23 0.08 0.00 1.01 0.00 0.00 58.87 57.54 1n4p n SER 63 Cb 0.64 -0.31 0.39 0.00 -1.01 0.00 0.00 64.21 63.92 1n4p n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n4p n LEU 64 N 0.20 0.38 0.09 -3.43 4.77 -1.25 -2.13 117.00 115.63 1n4p n LEU 64 Ca 0.07 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1n4p n LEU 64 Cb 1.02 -0.64 0.45 0.00 -2.33 0.00 0.00 43.42 41.91 1n4p n LEU 64 CO -0.03 -0.65 0.84 -0.90 -1.33 0.00 0.00 177.39 175.32 1n4p n ASP 65 N -1.97 0.50 -0.13 -1.43 5.75 -1.26 -2.96 116.55 115.05 1n4p n ASP 65 Ca 0.01 0.61 0.08 0.00 -0.01 0.00 0.00 54.79 55.47 1n4p n ASP 65 Cb 0.10 -0.72 0.42 0.00 -1.03 0.00 0.00 41.12 39.89 1n4p n ASP 65 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1n4p n VAL 66 N -2.04 0.06 -4.23 2.12 0.24 -0.91 -4.82 118.33 108.75 1n4p n VAL 66 Ca 0.03 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.10 1n4p n VAL 66 Cb 0.25 -0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 1n4p n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n4p s VAL 67 N -1.94 1.16 -0.84 3.34 -7.23 -1.16 -5.09 120.40 108.65 1n4p s VAL 67 Ca 0.24 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.33 1n4p s VAL 67 Cb 0.12 -1.65 0.10 0.00 0.56 0.00 0.00 36.38 35.50 1n4p s VAL 67 CO 0.19 -0.62 1.11 0.21 -0.31 0.00 0.00 175.10 175.68 1n4p s ASN 68 N -2.81 6.44 0.39 4.85 3.84 -1.26 -4.87 114.94 121.51 1n4p s ASN 68 Ca 0.12 -1.57 0.16 0.00 0.21 0.00 0.00 52.86 51.78 1n4p s ASN 68 Cb -0.01 -2.43 1.02 0.00 -0.55 0.00 0.00 41.25 39.29 1n4p s ASN 68 CO 0.01 -1.27 1.80 0.11 -2.79 0.00 0.00 177.10 174.96 1n4p h LYS 69 N 9.23 0.46 -0.28 0.43 1.57 -1.93 -1.42 116.57 124.64 1n4p h LYS 69 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1n4p h LYS 69 Cb 1.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1n4p h LYS 69 CO 1.18 0.30 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.89 1n4p h ASP 70 N 0.47 0.52 0.04 0.86 3.32 -1.92 -0.66 116.42 119.05 1n4p h ASP 70 Ca 0.55 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1n4p h ASP 70 Cb 1.28 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1n4p h ASP 70 CO -0.27 0.73 -0.02 0.44 -1.72 0.00 0.00 179.24 178.40 1n4p h ASP 71 N 0.29 -0.05 -0.88 6.45 3.32 -1.69 -2.40 116.42 121.47 1n4p h ASP 71 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1n4p h ASP 71 Cb 0.48 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1n4p h ASP 71 CO 0.02 -0.02 0.47 0.40 -1.72 0.00 0.00 179.24 178.39 1n4p h ILE 72 N -0.07 1.26 -0.68 0.35 2.04 -1.44 -1.69 117.51 117.28 1n4p h ILE 72 Ca -0.01 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1n4p h ILE 72 Cb 0.06 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1n4p h ILE 72 CO 0.01 0.30 0.43 0.40 0.00 0.00 0.00 178.15 179.29 1n4p h ILE 73 N 1.25 1.18 -0.30 -0.67 2.04 -0.89 -0.11 117.51 120.00 1n4p h ILE 73 Ca 0.31 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 1n4p h ILE 73 Cb 0.05 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1n4p h ILE 73 CO -0.05 0.18 -0.48 -0.33 0.00 0.00 0.00 178.15 177.48 1n4p h GLU 74 N 0.93 0.82 -0.28 2.37 4.39 -0.91 -1.77 114.58 120.13 1n4p h GLU 74 Ca 0.25 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 1n4p h GLU 74 Cb -0.07 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1n4p h GLU 74 CO -0.05 1.11 0.16 2.35 -1.16 0.00 0.00 179.01 181.42 1n4p h TRP 75 N 0.64 0.37 -0.37 4.33 7.01 -0.61 -1.58 115.95 125.74 1n4p h TRP 75 Ca 0.03 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1n4p h TRP 75 Cb 1.07 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 1n4p h TRP 75 CO 0.06 0.29 0.23 0.82 -2.79 0.00 0.00 178.44 177.06 1n4p h ILE 76 N 0.34 1.06 0.00 2.65 2.04 -0.97 -1.83 117.51 120.81 1n4p h ILE 76 Ca 0.10 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1n4p h ILE 76 Cb 0.04 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1n4p h ILE 76 CO -0.02 0.09 -0.07 1.88 0.00 0.00 0.00 178.15 180.02 1n4p h TYR 77 N 0.47 0.00 0.00 1.37 0.05 -1.07 0.23 116.97 118.02 1n4p h TYR 77 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1n4p h TYR 77 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1n4p h TYR 77 CO -0.06 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 175.99 1n4p n SER 78 N -3.54 0.35 -0.30 3.88 3.41 -0.62 -2.40 113.62 114.41 1n4p n SER 78 Ca -0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1n4p n SER 78 Cb 0.20 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.75 1n4p n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4p n LEU 79 N -1.86 1.28 -4.71 1.04 4.77 0.07 -4.63 117.00 112.95 1n4p n LEU 79 Ca 0.04 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.21 1n4p n LEU 79 Cb 0.26 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1n4p n LEU 79 CO 0.21 0.24 0.79 -1.58 -1.33 0.00 0.00 177.39 175.72 1n4p s GLN 80 N -2.54 4.51 -0.61 3.23 0.74 -1.01 -0.38 119.66 123.60 1n4p s GLN 80 Ca 0.22 1.61 -0.21 0.00 0.05 0.00 0.00 55.36 57.02 1n4p s GLN 80 Cb 0.19 -3.39 0.07 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 80 CO 0.55 -0.13 0.86 0.08 -0.55 0.00 0.00 175.29 176.11 1n4p s VAL 81 N 0.89 4.51 0.37 1.34 1.01 0.76 -4.90 120.40 124.38 1n4p s VAL 81 Ca 0.55 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1n4p s VAL 81 Cb -0.26 -4.58 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 1n4p s VAL 81 CO 0.29 -1.27 0.72 -0.76 0.00 0.00 0.00 175.10 174.08 1n4p s LEU 82 N 3.57 3.90 0.51 3.92 1.43 -1.26 -3.13 118.68 127.61 1n4p s LEU 82 Ca 0.20 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.12 1n4p s LEU 82 Cb -0.18 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 1n4p s LEU 82 CO 0.10 -0.34 1.17 -2.16 0.23 0.00 0.00 176.35 175.36 1n4p s PRO 83 N -3.73 3.49 0.90 1.29 0.04 -1.26 -4.21 135.00 131.51 1n4p s PRO 83 Ca 0.50 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1n4p s PRO 83 Cb -0.10 -2.21 0.13 0.00 0.04 0.00 0.00 34.50 32.36 1n4p s PRO 83 CO 0.30 -0.77 1.15 0.95 0.04 0.00 0.00 177.00 178.67 1n4p s THR 84 N -1.60 1.99 0.20 1.26 -4.23 -1.26 -2.39 115.64 109.61 1n4p s THR 84 Ca 0.69 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1n4p s THR 84 Cb -0.28 -2.80 0.21 0.00 1.34 0.00 0.00 72.50 70.96 1n4p s THR 84 CO 0.33 0.00 1.64 1.05 -0.54 0.00 0.00 174.62 177.10 1n4p h GLU 85 N -1.44 0.03 0.00 3.99 9.09 -1.96 0.44 114.58 124.74 1n4p h GLU 85 Ca -0.49 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1n4p h GLU 85 Cb 1.33 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1n4p h GLU 85 CO 0.61 0.02 0.00 -0.40 0.05 0.00 0.00 179.01 179.29 1n4p n ASP 86 N -5.38 0.00 -4.34 3.06 3.85 -1.26 -4.90 116.55 107.58 1n4p n ASP 86 Ca 0.07 -1.43 -0.35 0.00 -0.71 0.00 0.00 54.79 52.37 1n4p n ASP 86 Cb 0.32 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.02 1n4p n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4p n ARG 87 N -0.76 -1.44 -0.24 0.11 1.74 0.16 -4.83 116.66 111.40 1n4p n ARG 87 Ca 0.12 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 1n4p n ARG 87 Cb 0.06 -4.29 0.25 0.00 -1.02 0.00 0.00 32.46 27.45 1n4p n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4p n SER 88 N -2.72 3.52 -0.74 0.55 3.41 -1.26 -4.27 113.62 112.11 1n4p n SER 88 Ca -0.12 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.56 1n4p n SER 88 Cb 0.58 -0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.39 1n4p n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n4p n ASN 89 N 1.49 1.59 -0.34 4.04 6.94 -1.26 -4.82 115.26 122.91 1n4p n ASN 89 Ca 0.21 -3.49 -0.01 0.00 -0.02 0.00 0.00 54.58 51.27 1n4p n ASN 89 Cb 0.60 -0.48 0.12 0.00 -2.36 0.00 0.00 39.78 37.66 1n4p n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1n4p h LEU 90 N 0.93 0.99 0.00 -4.53 3.38 -1.95 -1.57 115.31 112.57 1n4p h LEU 90 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 90 Cb 1.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1n4p h LEU 90 CO 0.02 0.68 0.00 0.47 0.09 0.00 0.00 178.44 179.70 1n4p n ASP 91 N -4.51 0.00 -0.03 -0.43 9.92 -1.26 -2.13 116.55 118.12 1n4p n ASP 91 Ca 0.12 -0.21 0.01 0.00 -0.53 0.00 0.00 54.79 54.18 1n4p n ASP 91 Cb 0.09 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1n4p n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1n4p n ARG 92 N -0.98 1.91 -2.30 -1.24 1.74 -0.59 -4.66 116.66 110.55 1n4p n ARG 92 Ca 0.05 -1.32 -0.30 0.00 -0.77 0.00 0.00 57.85 55.50 1n4p n ARG 92 Cb 0.02 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 1n4p n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4p n GLY 94 N -2.18 0.07 3.23 0.00 0.00 -1.18 -4.41 105.19 100.71 1n4p n GLY 94 Ca 0.04 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1n4p n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4p s PHE 95 N -3.77 1.51 0.31 1.61 0.40 -1.26 -0.17 117.98 116.61 1n4p s PHE 95 Ca 0.00 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1n4p s PHE 95 Cb 0.00 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 1n4p s PHE 95 CO 0.00 0.14 0.52 1.03 0.70 0.00 0.00 175.22 177.61 1n4p s ARG 96 N -1.94 3.51 0.36 0.44 0.52 0.49 -0.91 118.95 121.42 1n4p s ARG 96 Ca 0.03 -0.29 0.19 0.00 -0.52 0.00 0.00 55.73 55.14 1n4p s ARG 96 Cb -0.09 -2.69 0.31 0.00 0.52 0.00 0.00 34.95 33.00 1n4p s ARG 96 CO 0.03 0.20 1.56 0.78 0.02 0.00 0.00 175.30 177.90 1n4p h GLY 97 N 1.09 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 95.28 1n4p h GLY 97 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1n4p h GLY 97 CO 0.63 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1n4p n SER 98 N -3.22 0.00 -1.65 0.19 3.41 -1.26 -1.41 113.62 109.68 1n4p n SER 98 Ca 0.02 -0.77 -0.03 0.00 -0.26 0.00 0.00 58.87 57.82 1n4p n SER 98 Cb 0.62 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.85 1n4p n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4p n SER 99 N -0.40 4.22 0.12 4.04 3.41 -1.26 -4.71 113.62 119.05 1n4p n SER 99 Ca 0.00 -3.29 0.07 0.00 -0.26 0.00 0.00 58.87 55.39 1n4p n SER 99 Cb 0.00 -0.69 0.36 0.00 -0.26 0.00 0.00 64.21 63.62 1n4p n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4p n TYR 100 N -0.43 0.45 0.84 7.33 4.11 -1.26 -1.56 117.16 126.63 1n4p n TYR 100 Ca 0.37 0.23 0.13 0.00 -0.00 0.00 0.00 57.90 58.63 1n4p n TYR 100 Cb 1.25 -0.77 0.44 0.00 -0.00 0.00 0.00 39.34 40.25 1n4p n TYR 100 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n4p n LEU 101 N -1.97 0.41 0.00 -3.48 4.77 -1.26 -4.93 117.00 110.53 1n4p n LEU 101 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1n4p n LEU 101 Cb 0.16 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1n4p n LEU 101 CO 0.06 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1n4p n GLY 102 N 1.42 0.60 3.74 -0.72 0.00 -0.60 -5.02 105.19 104.61 1n4p n GLY 102 Ca 0.06 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1n4p n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4p s ILE 103 N -2.00 3.32 0.29 -0.61 1.01 -1.26 -4.94 121.20 117.01 1n4p s ILE 103 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1n4p s ILE 103 Cb 0.00 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.65 1n4p s ILE 103 CO 0.00 0.16 1.37 -0.81 0.00 0.00 0.00 174.94 175.67 1n4p n PRO 104 N 2.63 2.15 -1.63 2.79 -0.04 -1.26 -4.87 135.00 134.77 1n4p n PRO 104 Ca 0.06 0.76 -0.51 0.00 -0.04 0.00 0.00 63.50 63.77 1n4p n PRO 104 Cb 0.43 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 1n4p n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n4p n PHE 105 N 1.22 1.85 -3.21 0.54 7.35 -1.26 -4.96 117.46 118.98 1n4p n PHE 105 Ca 0.08 0.48 -0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1n4p n PHE 105 Cb 0.34 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.73 1n4p n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n4p s ASN 106 N 1.17 -1.21 -0.42 -2.13 2.47 -1.26 -5.06 114.94 108.50 1n4p s ASN 106 Ca 0.85 -0.51 -0.13 0.00 0.42 0.00 0.00 52.86 53.49 1n4p s ASN 106 Cb -0.87 1.81 -0.13 0.00 -1.45 0.00 0.00 41.25 40.61 1n4p s ASN 106 CO 0.46 -0.23 1.63 -0.81 -3.72 0.00 0.00 177.10 174.44 1n4p n PRO 107 N 4.79 0.90 -4.06 0.43 -0.04 -1.26 -4.14 135.00 131.62 1n4p n PRO 107 Ca 0.08 -1.17 -0.29 0.00 -0.04 0.00 0.00 63.50 62.09 1n4p n PRO 107 Cb 0.55 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 1n4p n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n4p n SER 108 N 6.19 -1.03 0.00 3.54 7.64 -1.12 -4.74 113.62 124.10 1n4p n SER 108 Ca 0.33 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1n4p n SER 108 Cb 0.22 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1n4p n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4p n LYS 109 N -4.42 0.00 -0.90 1.43 5.02 -1.26 -5.03 118.16 113.00 1n4p n LYS 109 Ca -0.21 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.79 1n4p n LYS 109 Cb 0.63 -0.01 0.22 0.00 -0.02 0.00 0.00 35.03 35.86 1n4p n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n4p s ASN 110 N -1.00 1.44 1.21 4.39 0.01 -1.26 -5.02 114.94 114.71 1n4p s ASN 110 Ca 0.00 1.14 -0.18 0.00 -0.71 0.00 0.00 52.86 53.10 1n4p s ASN 110 Cb 0.00 -1.75 0.27 0.00 0.41 0.00 0.00 41.25 40.18 1n4p s ASN 110 CO 0.00 -3.86 1.01 -0.81 -1.51 0.00 0.00 177.10 171.93 1n4p n PRO 111 N -4.65 -2.82 -2.44 -0.60 -0.04 -1.26 -4.98 135.00 118.21 1n4p n PRO 111 Ca 0.06 -1.60 -0.40 0.00 -0.04 0.00 0.00 63.50 61.51 1n4p n PRO 111 Cb 0.57 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1n4p n PRO 111 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1n4p s GLY 112 N -4.38 3.00 -0.45 0.55 0.00 -1.01 -5.01 107.32 100.03 1n4p s GLY 112 Ca 0.65 0.93 -0.14 0.00 0.00 0.00 0.00 44.72 46.15 1n4p s GLY 112 CO 0.49 1.59 0.35 -0.51 0.00 0.00 0.00 173.10 175.02 1n4p s THR 113 N -0.95 5.05 0.18 0.90 -4.23 -1.26 -4.39 115.64 110.93 1n4p s THR 113 Ca 0.46 -1.03 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 1n4p s THR 113 Cb -0.32 -3.97 -0.17 0.00 1.34 0.00 0.00 72.50 69.37 1n4p s THR 113 CO 0.41 -0.50 0.59 0.00 -0.54 0.00 0.00 174.62 174.59 1n4p n ALA 114 N 5.14 -2.94 -3.66 3.99 0.00 -1.26 -5.00 120.51 116.77 1n4p n ALA 114 Ca -0.12 0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.71 1n4p n ALA 114 Cb 0.44 -1.63 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 1n4p n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1n4p s HIS 115 N -0.88 -0.98 0.42 0.00 5.04 -1.26 -5.06 115.29 112.58 1n4p s HIS 115 Ca 0.67 1.88 0.23 0.00 -1.54 0.00 0.00 55.06 56.31 1n4p s HIS 115 Cb -0.97 0.54 1.23 0.00 0.04 0.00 0.00 32.58 33.42 1n4p s HIS 115 CO 0.56 -0.51 1.74 -1.35 -2.34 0.00 0.00 174.74 172.84 1n4p h PRO 116 N 7.43 0.27 0.00 2.88 0.11 -2.05 -2.92 132.00 137.73 1n4p h PRO 116 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1n4p h PRO 116 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n4p h PRO 116 CO 0.17 0.18 -0.04 0.66 -0.21 0.00 0.00 178.00 178.76 1n4p n TYR 117 N -4.58 0.00 -3.24 0.65 4.01 -1.26 -5.03 117.16 107.71 1n4p n TYR 117 Ca 0.28 -0.68 -0.39 0.00 -0.16 0.00 0.00 57.90 56.95 1n4p n TYR 117 Cb 1.05 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.92 1n4p n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4p s ASP 118 N -1.89 6.64 0.23 7.72 2.15 -1.10 -5.03 116.67 125.39 1n4p s ASP 118 Ca 0.16 0.76 -0.22 0.00 0.43 0.00 0.00 52.55 53.68 1n4p s ASP 118 Cb 0.14 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1n4p s ASP 118 CO 0.02 -0.14 0.76 -0.94 -0.17 0.00 0.00 175.17 174.70 1n4p s SER 119 N 1.00 -0.28 0.79 -0.34 1.04 -1.26 -4.90 113.70 109.74 1n4p s SER 119 Ca 0.26 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 1n4p s SER 119 Cb -0.15 0.66 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1n4p s SER 119 CO 0.10 -1.20 1.12 -0.83 0.98 0.00 0.00 173.24 173.42 1n4p s GLY 120 N -2.90 1.68 -0.09 7.32 0.00 -0.55 -4.64 107.32 108.14 1n4p s GLY 120 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1n4p s GLY 120 CO 0.04 -0.42 -0.07 -1.58 0.00 0.00 0.00 173.10 171.06 1n4p s HIS 121 N -3.47 1.28 0.32 1.90 5.04 -0.09 -4.57 115.29 115.71 1n4p s HIS 121 Ca 0.64 -0.56 0.09 0.00 -1.54 0.00 0.00 55.06 53.68 1n4p s HIS 121 Cb -0.09 -1.08 0.90 0.00 0.04 0.00 0.00 32.58 32.34 1n4p s HIS 121 CO 0.48 -0.41 1.70 0.97 -2.34 0.00 0.00 174.74 175.13 1n4p h ILE 122 N 6.16 0.44 0.00 0.89 2.10 -1.11 0.41 117.51 126.40 1n4p h ILE 122 Ca -0.29 -0.15 -0.05 0.00 1.08 0.00 0.00 64.86 65.45 1n4p h ILE 122 Cb 1.14 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1n4p h ILE 122 CO 0.40 0.08 -0.23 0.00 -1.08 0.00 0.00 178.15 177.33 1n4p h ALA 123 N 1.76 1.04 0.13 0.18 0.00 -1.94 -1.62 119.26 118.80 1n4p h ALA 123 Ca 0.65 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 55.03 1n4p h ALA 123 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1n4p h ALA 123 CO -0.54 0.28 -1.58 0.52 0.00 0.00 0.00 179.25 177.93 1n4p h MET 124 N 0.00 0.27 -0.58 0.00 2.86 -0.58 -2.14 114.93 114.75 1n4p h MET 124 Ca -0.00 -0.46 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 1n4p h MET 124 Cb 0.73 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1n4p h MET 124 CO 0.03 1.13 0.25 1.15 1.06 0.00 0.00 176.91 180.53 1n4p h THR 125 N 0.07 1.22 0.86 2.22 2.02 -0.70 0.39 112.91 118.99 1n4p h THR 125 Ca -0.26 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1n4p h THR 125 Cb 2.03 0.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1n4p h THR 125 CO 0.16 0.26 -0.41 0.22 0.37 0.00 0.00 175.52 176.12 1n4p h TYR 126 N 0.80 -1.07 -0.02 3.16 3.20 -1.37 -1.72 116.97 119.95 1n4p h TYR 126 Ca 0.20 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1n4p h TYR 126 Cb 0.18 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1n4p h TYR 126 CO 0.01 -0.66 -0.15 1.79 -1.64 0.00 0.00 178.16 177.51 1n4p h THR 127 N -1.26 1.12 0.54 1.81 1.35 -1.34 -1.14 112.91 114.00 1n4p h THR 127 Ca -0.12 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1n4p h THR 127 Cb 0.89 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1n4p h THR 127 CO 0.19 0.16 -0.26 1.23 -0.25 0.00 0.00 175.52 176.60 1n4p h GLY 128 N 0.51 -0.75 0.76 5.82 0.00 -0.14 0.15 103.07 109.42 1n4p h GLY 128 Ca 0.01 0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.66 1n4p h GLY 128 CO 0.02 -0.27 0.31 1.41 0.00 0.00 0.00 176.54 178.00 1n4p h LEU 129 N -0.92 0.47 -0.65 3.11 3.38 -1.18 -0.86 115.31 118.67 1n4p h LEU 129 Ca -0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1n4p h LEU 129 Cb 0.62 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1n4p h LEU 129 CO 0.12 0.32 0.35 -1.28 0.09 0.00 0.00 178.44 178.04 1n4p h SER 130 N 0.60 0.50 -0.51 -0.43 0.87 -1.13 -1.80 113.55 111.65 1n4p h SER 130 Ca 0.24 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 1n4p h SER 130 Cb 0.11 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1n4p h SER 130 CO -0.14 0.32 0.14 0.00 -0.53 0.00 0.00 176.83 176.62 1n4p h LEU 132 N 0.70 -0.01 -0.46 0.00 3.38 -0.65 -0.31 115.31 117.97 1n4p h LEU 132 Ca 0.16 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1n4p h LEU 132 Cb 0.31 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1n4p h LEU 132 CO -0.00 0.03 0.28 0.40 0.09 0.00 0.00 178.44 179.25 1n4p h ILE 133 N 0.16 1.13 -0.99 1.22 2.04 -1.20 -1.50 117.51 118.38 1n4p h ILE 133 Ca 0.15 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1n4p h ILE 133 Cb 0.17 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1n4p h ILE 133 CO -0.21 0.13 0.65 0.40 0.00 0.00 0.00 178.15 179.13 1n4p h ILE 134 N 0.61 1.14 0.00 -0.67 2.04 -0.79 -1.68 117.51 118.16 1n4p h ILE 134 Ca 0.16 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1n4p h ILE 134 Cb -0.03 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.87 1n4p h ILE 134 CO -0.03 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1n4p n LEU 135 N -4.46 0.00 0.00 1.44 4.77 -0.17 -4.89 117.00 113.68 1n4p n LEU 135 Ca 0.14 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1n4p n LEU 135 Cb 0.13 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1n4p n LEU 135 CO 0.34 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1n4p n GLY 136 N 0.90 0.44 3.68 -0.72 0.00 -0.63 -4.94 105.19 103.92 1n4p n GLY 136 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1n4p n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n4p s ASP 137 N -2.52 3.14 0.00 1.61 -1.08 -0.61 -4.94 116.67 112.26 1n4p s ASP 137 Ca 0.00 2.20 0.18 0.00 -0.52 0.00 0.00 52.55 54.41 1n4p s ASP 137 Cb 0.00 -2.57 0.33 0.00 -1.46 0.00 0.00 42.92 39.22 1n4p s ASP 137 CO 0.00 -2.96 1.26 -0.90 0.52 0.00 0.00 175.17 173.09 1n4p n ASP 138 N -4.03 3.05 -0.54 -0.34 5.68 -1.26 -4.50 116.55 114.61 1n4p n ASP 138 Ca 0.12 -1.89 -0.07 0.00 -0.50 0.00 0.00 54.79 52.45 1n4p n ASP 138 Cb 0.52 -0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 1n4p n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n4p n LEU 139 N 1.13 -0.17 0.22 -2.12 4.32 -1.26 -4.88 117.00 114.25 1n4p n LEU 139 Ca 0.15 0.18 0.05 0.00 -0.02 0.00 0.00 56.01 56.37 1n4p n LEU 139 Cb 0.51 -2.01 0.50 0.00 -1.62 0.00 0.00 43.42 40.80 1n4p n LEU 139 CO 0.12 -0.72 0.89 0.77 -1.22 0.00 0.00 177.39 177.23 1n4p h SER 140 N 0.00 0.00 -0.11 -1.43 4.64 -2.02 -2.02 113.55 112.61 1n4p h SER 140 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1n4p h SER 140 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1n4p h SER 140 CO 0.21 0.20 0.00 0.54 -0.87 0.00 0.00 176.83 176.91 1n4p n ARG 141 N -4.26 1.48 -3.25 4.77 1.74 -1.26 -4.81 116.66 111.06 1n4p n ARG 141 Ca -0.02 -0.72 -0.39 0.00 -0.77 0.00 0.00 57.85 55.95 1n4p n ARG 141 Cb 0.26 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1n4p n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4p s VAL 142 N -1.86 5.11 -1.20 1.55 1.01 -0.76 -4.97 120.40 119.28 1n4p s VAL 142 Ca 0.30 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 1n4p s VAL 142 Cb 0.15 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1n4p s VAL 142 CO 0.24 0.19 1.66 -0.62 0.00 0.00 0.00 175.10 176.57 1n4p s ASP 143 N 1.11 6.63 0.22 3.32 -1.08 -1.26 -4.81 116.67 120.80 1n4p s ASP 143 Ca 0.24 -2.08 -0.09 0.00 -0.52 0.00 0.00 52.55 50.10 1n4p s ASP 143 Cb -0.15 -2.58 0.33 0.00 -1.46 0.00 0.00 42.92 39.06 1n4p s ASP 143 CO 0.10 -1.38 1.69 0.11 0.52 0.00 0.00 175.17 176.20 1n4p h LYS 144 N 8.41 0.22 -0.30 4.34 1.57 -1.93 -1.13 116.57 127.76 1n4p h LYS 144 Ca 0.36 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1n4p h LYS 144 Cb 0.92 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1n4p h LYS 144 CO 1.44 0.15 0.04 0.93 -0.57 0.00 0.00 179.45 181.43 1n4p h GLU 145 N 0.23 0.45 -0.22 3.15 4.39 -1.99 -1.49 114.58 119.09 1n4p h GLU 145 Ca 0.34 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1n4p h GLU 145 Cb 0.54 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1n4p h GLU 145 CO -0.46 0.44 -0.14 0.00 -1.16 0.00 0.00 179.01 177.69 1n4p h ALA 146 N 1.61 0.32 -0.53 3.43 0.00 -1.62 -0.79 119.26 121.68 1n4p h ALA 146 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1n4p h ALA 146 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1n4p h ALA 146 CO 0.00 0.20 0.34 0.00 0.00 0.00 0.00 179.25 179.79 1n4p h LEU 148 N 0.71 0.59 -0.42 0.00 3.38 -1.23 0.18 115.31 118.53 1n4p h LEU 148 Ca 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1n4p h LEU 148 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n4p h LEU 148 CO -0.04 0.70 0.09 0.00 0.09 0.00 0.00 178.44 179.27 1n4p h ALA 149 N 1.37 0.56 -0.73 1.53 0.00 -0.46 -1.19 119.26 120.34 1n4p h ALA 149 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1n4p h ALA 149 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1n4p h ALA 149 CO 0.02 0.26 0.31 0.78 0.00 0.00 0.00 179.25 180.62 1n4p h GLY 150 N 0.55 1.16 0.94 0.00 0.00 -0.18 -2.70 103.07 102.84 1n4p h GLY 150 Ca 0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1n4p h GLY 150 CO 0.00 0.58 -0.23 -2.00 0.00 0.00 0.00 176.54 174.89 1n4p h LEU 151 N 1.04 -0.57 -0.87 3.11 6.46 -0.35 -2.71 115.31 121.42 1n4p h LEU 151 Ca 0.25 0.03 0.19 0.00 -0.12 0.00 0.00 57.88 58.23 1n4p h LEU 151 Cb 0.18 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 1n4p h LEU 151 CO -0.02 -0.38 0.38 0.03 -0.62 0.00 0.00 178.44 177.83 1n4p h ARG 152 N -0.62 0.44 0.00 1.25 3.08 -0.91 0.21 114.38 117.83 1n4p h ARG 152 Ca -0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1n4p h ARG 152 Cb 0.49 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1n4p h ARG 152 CO 0.07 0.29 -0.01 0.00 -1.07 0.00 0.00 179.97 179.24 1n4p h ALA 153 N 1.66 1.40 0.00 0.04 0.00 -1.16 -2.36 119.26 118.84 1n4p h ALA 153 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1n4p h ALA 153 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n4p h ALA 153 CO -0.48 0.02 -0.26 -0.07 0.00 0.00 0.00 179.25 178.46 1n4p h LEU 154 N 0.00 0.00 -9.61 0.00 3.38 -0.42 -3.46 115.31 105.20 1n4p h LEU 154 Ca -0.00 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 1n4p h LEU 154 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n4p h LEU 154 CO 0.00 0.02 0.47 -1.58 0.09 0.00 0.00 178.44 177.45 1n4p s GLN 155 N -3.18 4.58 0.61 1.13 0.74 -0.89 -1.72 119.66 120.93 1n4p s GLN 155 Ca 0.07 1.68 0.01 0.00 0.05 0.00 0.00 55.36 57.17 1n4p s GLN 155 Cb 0.10 -3.31 0.07 0.00 1.10 0.00 0.00 33.01 30.97 1n4p s GLN 155 CO 0.67 0.03 0.86 -0.51 -0.55 0.00 0.00 175.29 175.78 1n4p s LEU 156 N -0.02 3.15 0.21 3.68 1.43 0.33 -4.98 118.68 122.48 1n4p s LEU 156 Ca 0.51 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1n4p s LEU 156 Cb -0.28 -2.50 0.25 0.00 0.03 0.00 0.00 46.19 43.69 1n4p s LEU 156 CO 0.33 -1.41 1.78 1.05 0.23 0.00 0.00 176.35 178.33 1n4p h GLU 157 N -0.14 0.54 0.00 1.70 4.11 -1.96 -1.57 114.58 117.25 1n4p h GLU 157 Ca -0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1n4p h GLU 157 Cb 1.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1n4p h GLU 157 CO 0.48 0.36 0.00 -0.40 0.07 0.00 0.00 179.01 179.51 1n4p n ASP 158 N -4.88 0.00 0.00 3.06 3.85 -1.26 -4.86 116.55 112.46 1n4p n ASP 158 Ca 0.08 -0.60 0.00 0.00 -0.71 0.00 0.00 54.79 53.56 1n4p n ASP 158 Cb 0.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1n4p n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n4p n GLY 159 N 0.19 3.14 3.94 6.12 0.00 -0.59 -4.06 105.19 113.93 1n4p n GLY 159 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1n4p n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n4p s SER 160 N -1.10 3.03 0.20 1.61 1.04 -1.26 -4.00 113.70 113.22 1n4p s SER 160 Ca 0.00 0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.71 1n4p s SER 160 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 1n4p s SER 160 CO 0.00 -2.78 -0.16 -0.36 0.98 0.00 0.00 173.24 170.92 1n4p s PHE 161 N -3.89 1.81 0.41 5.02 0.40 -1.26 -0.51 117.98 119.96 1n4p s PHE 161 Ca 0.75 -0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.65 1n4p s PHE 161 Cb -0.03 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1n4p s PHE 161 CO 0.53 0.39 0.46 0.00 0.70 0.00 0.00 175.22 177.30 1n4p n ALA 163 N -1.67 1.31 -2.86 0.00 0.00 -1.26 -4.74 120.51 111.30 1n4p n ALA 163 Ca 0.05 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1n4p n ALA 163 Cb 0.60 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 1n4p n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n4p s VAL 164 N -2.57 0.42 0.53 0.00 -7.23 -1.26 -0.54 120.40 109.74 1n4p s VAL 164 Ca -0.12 -0.81 0.21 0.00 -1.81 0.00 0.00 61.98 59.45 1n4p s VAL 164 Cb 0.07 -0.47 0.33 0.00 0.56 0.00 0.00 36.38 36.88 1n4p s VAL 164 CO 0.80 -0.27 2.08 1.55 -0.31 0.00 0.00 175.10 178.94 1n4p h PRO 165 N 4.93 0.00 0.00 4.82 0.13 -1.86 -0.03 132.00 139.99 1n4p h PRO 165 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1n4p h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4p h PRO 165 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1n4p n GLU 166 N -4.45 0.12 0.00 0.86 4.71 -1.26 -4.95 120.64 115.67 1n4p n GLU 166 Ca 0.03 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1n4p n GLU 166 Cb 0.34 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1n4p n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n4p n GLY 167 N -0.48 2.69 0.30 0.62 0.00 -0.03 -5.17 105.19 103.14 1n4p n GLY 167 Ca 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 1n4p n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4p n SER 168 N 0.00 -0.12 -4.79 1.61 3.41 -1.26 -4.73 113.62 107.74 1n4p n SER 168 Ca 0.00 -1.05 -0.33 0.00 -0.26 0.00 0.00 58.87 57.23 1n4p n SER 168 Cb 0.00 0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1n4p n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4p s GLU 169 N -2.00 3.10 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.99 1n4p s GLU 169 Ca 0.02 1.23 0.03 0.00 0.03 0.00 0.00 54.97 56.28 1n4p s GLU 169 Cb -0.00 -2.00 0.01 0.00 -0.80 0.00 0.00 34.13 31.33 1n4p s GLU 169 CO 0.00 -0.99 -0.10 0.54 -1.33 0.00 0.00 175.26 173.38 1n4p s ASN 170 N -2.85 1.43 0.22 0.83 4.22 -1.26 -4.14 114.94 113.38 1n4p s ASN 170 Ca 0.64 -0.23 -0.20 0.00 -2.14 0.00 0.00 52.86 50.93 1n4p s ASN 170 Cb -0.17 -0.46 0.07 0.00 1.28 0.00 0.00 41.25 41.97 1n4p s ASN 170 CO 0.41 0.06 0.99 -0.90 -2.04 0.00 0.00 177.10 175.62 1n4p n ASP 171 N 3.42 -1.82 -0.32 3.54 5.68 -1.21 -4.95 116.55 120.89 1n4p n ASP 171 Ca -0.20 -2.01 0.19 0.00 -0.50 0.00 0.00 54.79 52.27 1n4p n ASP 171 Cb 0.53 2.97 0.45 0.00 -1.14 0.00 0.00 41.12 43.94 1n4p n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1n4p h MET 172 N 0.00 0.49 -0.67 0.11 1.85 -1.75 -1.94 114.93 113.02 1n4p h MET 172 Ca -0.28 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 58.91 1n4p h MET 172 Cb 1.20 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 33.03 1n4p h MET 172 CO 0.37 0.33 0.19 0.00 -0.40 0.00 0.00 176.91 177.40 1n4p h ARG 173 N 0.51 0.31 0.00 0.39 3.08 -1.93 -0.71 114.38 116.03 1n4p h ARG 173 Ca 0.57 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.58 1n4p h ARG 173 Cb 1.26 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1n4p h ARG 173 CO -0.31 0.21 -0.11 0.74 -1.07 0.00 0.00 179.97 179.43 1n4p h PHE 174 N 0.32 0.00 -0.42 3.04 0.05 -1.64 -2.40 116.94 115.89 1n4p h PHE 174 Ca 0.36 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.02 1n4p h PHE 174 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 1n4p h PHE 174 CO -0.22 0.11 -0.26 0.28 -0.18 0.00 0.00 178.31 178.03 1n4p h VAL 175 N 0.00 1.27 -0.59 -0.55 2.07 -1.10 -0.46 116.25 116.89 1n4p h VAL 175 Ca -0.00 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 1n4p h VAL 175 Cb 0.85 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1n4p h VAL 175 CO 0.01 0.48 -0.02 0.22 0.02 0.00 0.00 177.57 178.29 1n4p h TYR 176 N 0.76 1.16 -0.32 1.57 3.20 -1.09 -0.99 116.97 121.25 1n4p h TYR 176 Ca 0.09 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1n4p h TYR 176 Cb 0.82 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1n4p h TYR 176 CO 0.05 1.03 0.17 0.00 -1.64 0.00 0.00 178.16 177.77 1n4p h ALA 178 N 1.04 0.53 -0.39 0.00 0.00 -0.93 -1.05 119.26 118.46 1n4p h ALA 178 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n4p h ALA 178 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n4p h ALA 178 CO -0.02 -0.05 0.22 0.77 0.00 0.00 0.00 179.25 180.17 1n4p h SER 179 N 0.53 0.36 -0.74 0.00 0.02 -0.84 -1.21 113.55 111.67 1n4p h SER 179 Ca 0.16 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1n4p h SER 179 Cb -0.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1n4p h SER 179 CO -0.06 0.26 0.34 0.00 -1.14 0.00 0.00 176.83 176.22 1n4p h ILE 181 N 1.08 0.88 -0.88 0.00 2.04 -0.81 0.04 117.51 119.87 1n4p h ILE 181 Ca 0.26 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1n4p h ILE 181 Cb 0.15 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1n4p h ILE 181 CO -0.03 0.10 0.58 0.00 0.00 0.00 0.00 178.15 178.80 1n4p h TYR 183 N 1.00 0.24 -0.50 0.00 3.20 -0.89 0.53 116.97 120.56 1n4p h TYR 183 Ca 0.38 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.13 1n4p h TYR 183 Cb 0.19 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1n4p h TYR 183 CO -0.00 0.44 0.02 0.52 -1.64 0.00 0.00 178.16 177.50 1n4p h MET 184 N -0.02 0.87 -0.01 1.82 2.86 -0.49 -1.11 114.93 118.84 1n4p h MET 184 Ca 0.04 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1n4p h MET 184 Cb 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1n4p h MET 184 CO 0.01 0.89 0.00 1.28 1.06 0.00 0.00 176.91 180.15 1n4p n LEU 185 N -4.34 0.06 -4.15 1.22 4.77 0.05 -4.89 117.00 109.72 1n4p n LEU 185 Ca 0.01 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 1n4p n LEU 185 Cb 0.30 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1n4p n LEU 185 CO 0.42 0.01 -0.36 -3.20 -1.33 0.00 0.00 177.39 172.93 1n4p n ASN 186 N -0.76 -0.07 -3.42 -1.43 5.15 -0.16 -4.93 115.26 109.64 1n4p n ASN 186 Ca 0.15 -1.18 0.01 0.00 -0.60 0.00 0.00 54.58 52.96 1n4p n ASN 186 Cb 0.08 -2.17 -0.03 0.00 -0.53 0.00 0.00 39.78 37.13 1n4p n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1n4p s ASN 187 N -4.29 -1.23 -0.13 1.20 3.84 -0.00 -5.02 114.94 109.31 1n4p s ASN 187 Ca 0.05 1.24 0.09 0.00 0.21 0.00 0.00 52.86 54.45 1n4p s ASN 187 Cb -0.03 2.22 0.49 0.00 -0.55 0.00 0.00 41.25 43.38 1n4p s ASN 187 CO 0.95 -0.23 1.27 0.79 -2.79 0.00 0.00 177.10 177.09 1n4p n TRP 188 N 5.43 1.19 0.62 0.43 7.02 -1.26 -4.00 117.44 126.87 1n4p n TRP 188 Ca -0.07 -0.42 0.09 0.00 -1.02 0.00 0.00 57.50 56.08 1n4p n TRP 188 Cb 0.50 -0.31 0.41 0.00 -2.42 0.00 0.00 31.31 29.49 1n4p n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1n4p n SER 189 N 0.44 0.09 0.00 -0.99 3.41 -1.26 -2.65 113.62 112.66 1n4p n SER 189 Ca 0.17 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 1n4p n SER 189 Cb 0.77 -0.54 0.32 0.00 -0.26 0.00 0.00 64.21 64.50 1n4p n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4p n GLY 190 N 0.42 -0.99 3.35 5.00 0.00 -1.26 -4.82 105.19 106.89 1n4p n GLY 190 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1n4p n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4p s MET 191 N -2.97 1.12 -0.83 1.61 0.23 -1.08 -2.49 119.30 114.89 1n4p s MET 191 Ca 0.08 -0.85 -0.17 0.00 -1.03 0.00 0.00 55.69 53.72 1n4p s MET 191 Cb 0.10 0.45 0.16 0.00 -1.53 0.00 0.00 34.83 34.01 1n4p s MET 191 CO 0.27 -0.43 0.91 0.34 -2.03 0.00 0.00 175.02 174.07 1n4p s ASP 192 N -2.85 6.60 0.29 -1.18 3.68 -1.26 -4.91 116.67 117.04 1n4p s ASP 192 Ca 0.07 -2.18 0.03 0.00 2.13 0.00 0.00 52.55 52.60 1n4p s ASP 192 Cb 0.02 -2.31 0.64 0.00 -1.45 0.00 0.00 42.92 39.82 1n4p s ASP 192 CO -0.08 -0.88 1.80 -0.03 0.13 0.00 0.00 175.17 176.11 1n4p h MET 193 N 8.49 0.84 -0.41 4.34 1.85 -1.98 -1.77 114.93 126.30 1n4p h MET 193 Ca 0.05 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1n4p h MET 193 Cb 1.04 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1n4p h MET 193 CO 0.97 0.56 0.22 -0.22 -0.40 0.00 0.00 176.91 178.03 1n4p h LYS 194 N 0.87 0.43 -0.20 0.39 3.11 -2.00 -0.41 116.57 118.76 1n4p h LYS 194 Ca 0.53 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 58.23 1n4p h LYS 194 Cb 0.69 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1n4p h LYS 194 CO -0.33 0.28 -0.40 0.87 -2.81 0.00 0.00 179.45 177.07 1n4p h LYS 195 N 0.44 0.46 -0.34 1.90 1.57 -1.74 -1.99 116.57 116.87 1n4p h LYS 195 Ca 0.17 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1n4p h LYS 195 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1n4p h LYS 195 CO -0.11 0.78 0.03 0.00 -0.57 0.00 0.00 179.45 179.58 1n4p h ALA 196 N 1.19 0.45 -0.93 3.86 0.00 -0.94 -1.51 119.26 121.38 1n4p h ALA 196 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1n4p h ALA 196 Cb 0.86 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1n4p h ALA 196 CO 0.07 0.18 0.62 0.82 0.00 0.00 0.00 179.25 180.94 1n4p h ILE 197 N 0.39 1.24 -0.65 0.00 2.04 -0.99 -0.91 117.51 118.63 1n4p h ILE 197 Ca 0.10 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1n4p h ILE 197 Cb 0.41 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1n4p h ILE 197 CO 0.01 0.23 0.42 -1.28 0.00 0.00 0.00 178.15 177.54 1n4p h SER 198 N 1.27 0.72 -0.52 1.72 0.87 -1.05 -0.51 113.55 116.04 1n4p h SER 198 Ca 0.34 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1n4p h SER 198 Cb -0.15 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 1n4p h SER 198 CO -0.07 0.51 0.29 0.22 -0.53 0.00 0.00 176.83 177.25 1n4p h TYR 199 N 0.85 0.71 -0.74 2.24 3.20 -0.43 -1.46 116.97 121.34 1n4p h TYR 199 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1n4p h TYR 199 Cb -0.06 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1n4p h TYR 199 CO -0.04 0.52 0.39 0.82 -1.64 0.00 0.00 178.16 178.22 1n4p h ILE 200 N 0.70 1.23 -0.30 1.81 2.04 -0.52 -2.59 117.51 119.87 1n4p h ILE 200 Ca 0.19 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1n4p h ILE 200 Cb 0.04 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1n4p h ILE 200 CO -0.03 0.26 0.08 0.03 0.00 0.00 0.00 178.15 178.49 1n4p h ARG 201 N 1.03 0.48 0.00 2.37 3.08 -0.81 -2.78 114.38 117.75 1n4p h ARG 201 Ca 0.26 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1n4p h ARG 201 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n4p h ARG 201 CO -0.04 0.54 0.00 0.54 -1.07 0.00 0.00 179.97 179.95 1n4p n ARG 202 N -4.68 0.08 0.00 0.04 1.74 -0.58 -1.73 116.66 111.54 1n4p n ARG 202 Ca -0.02 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.43 1n4p n ARG 202 Cb 0.18 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.45 1n4p n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4p n SER 203 N -1.39 1.15 -4.69 0.55 3.41 -1.00 -3.87 113.62 107.78 1n4p n SER 203 Ca 0.04 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1n4p n SER 203 Cb 0.10 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1n4p n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1n4p s MET 204 N -2.50 4.26 0.77 4.33 -2.45 -0.70 -1.20 119.30 121.81 1n4p s MET 204 Ca 0.24 2.02 -0.09 0.00 -1.25 0.00 0.00 55.69 56.60 1n4p s MET 204 Cb 0.19 -3.59 0.09 0.00 1.25 0.00 0.00 34.83 32.76 1n4p s MET 204 CO 0.53 -0.61 1.11 0.45 1.05 0.00 0.00 175.02 177.55 1n4p s SER 205 N 2.01 4.49 0.53 1.11 0.15 -0.26 -4.88 113.70 116.85 1n4p s SER 205 Ca 0.65 0.53 0.30 0.00 0.70 0.00 0.00 55.95 58.14 1n4p s SER 205 Cb -0.33 -1.04 1.42 0.00 -1.71 0.00 0.00 66.02 64.36 1n4p s SER 205 CO 0.27 -1.85 2.02 0.10 1.20 0.00 0.00 173.24 174.99 1n4p h TYR 206 N -0.89 0.00 -0.22 3.44 -0.00 -1.94 -1.23 116.97 116.13 1n4p h TYR 206 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1n4p h TYR 206 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1n4p h TYR 206 CO 0.14 0.10 0.00 -0.40 -0.00 0.00 0.00 178.16 178.00 1n4p n ASP 207 N -3.36 1.68 0.00 0.10 3.85 -1.26 -4.94 116.55 112.63 1n4p n ASP 207 Ca -0.01 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 1n4p n ASP 207 Cb 0.28 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1n4p n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1n4p n ASN 208 N 0.36 -0.02 -4.50 -1.12 3.02 -0.46 -4.79 115.26 107.75 1n4p n ASN 208 Ca 0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 1n4p n ASN 208 Cb 0.31 -0.04 0.14 0.00 -0.61 0.00 0.00 39.78 39.58 1n4p n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n4p s GLY 209 N -2.00 1.76 -0.10 7.41 0.00 -1.26 -4.17 107.32 108.96 1n4p s GLY 209 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 1n4p s GLY 209 CO 0.00 -1.09 -0.02 1.08 0.00 0.00 0.00 173.10 173.07 1n4p s LEU 210 N -5.34 3.44 0.00 0.66 1.02 -1.26 -1.11 118.68 116.08 1n4p s LEU 210 Ca 0.70 0.05 0.06 0.00 0.02 0.00 0.00 54.13 54.96 1n4p s LEU 210 Cb -0.04 -1.79 0.06 0.00 0.02 0.00 0.00 46.19 44.45 1n4p s LEU 210 CO 0.47 0.32 0.53 0.00 0.02 0.00 0.00 176.35 177.69 1n4p n ALA 211 N 2.50 0.93 0.24 4.21 0.00 -0.34 -0.87 120.51 127.17 1n4p n ALA 211 Ca -0.18 -1.98 0.10 0.00 0.00 0.00 0.00 53.44 51.37 1n4p n ALA 211 Cb 0.53 0.70 0.59 0.00 0.00 0.00 0.00 19.45 21.27 1n4p n ALA 211 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n4p h GLN 212 N 0.00 0.00 -2.02 0.00 1.08 -1.88 -3.45 115.11 108.85 1n4p h GLN 212 Ca -0.29 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.14 1n4p h GLN 212 Cb 1.16 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.49 1n4p h GLN 212 CO 0.44 0.20 0.61 0.20 -0.95 0.00 0.00 178.83 179.32 1n4p s GLY 213 N -4.24 -0.30 0.20 3.46 0.00 -1.26 -2.24 107.32 102.94 1n4p s GLY 213 Ca -0.02 0.33 -0.32 0.00 0.00 0.00 0.00 44.72 44.72 1n4p s GLY 213 CO 0.63 0.05 1.16 0.00 0.00 0.00 0.00 173.10 174.93 1n4p n ALA 214 N -0.48 -0.49 0.00 3.20 0.00 -1.25 -2.10 120.51 119.39 1n4p n ALA 214 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n4p n ALA 214 Cb 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1n4p n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4p n GLY 215 N 1.90 3.00 3.81 0.00 0.00 -1.26 -5.01 105.19 107.64 1n4p n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n4p n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4p s LEU 216 N 0.00 2.44 0.11 0.99 2.01 -0.89 -4.99 118.68 118.35 1n4p s LEU 216 Ca 0.00 1.15 -0.31 0.00 0.01 0.00 0.00 54.13 54.98 1n4p s LEU 216 Cb 0.00 -3.68 -0.08 0.00 0.01 0.00 0.00 46.19 42.44 1n4p s LEU 216 CO 0.00 -2.08 1.42 -0.70 1.01 0.00 0.00 176.35 175.99 1n4p s GLU 217 N -5.24 4.30 0.51 1.70 2.12 -1.26 -4.68 118.70 116.14 1n4p s GLU 217 Ca 0.62 2.10 -0.22 0.00 0.36 0.00 0.00 54.97 57.82 1n4p s GLU 217 Cb -0.14 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 1n4p s GLU 217 CO 0.53 -0.48 1.30 -1.54 -0.54 0.00 0.00 175.26 174.54 1n4p s SER 218 N 1.22 5.61 -0.01 -1.70 1.04 -1.26 -4.33 113.70 114.26 1n4p s SER 218 Ca 0.65 2.64 -0.05 0.00 0.48 0.00 0.00 55.95 59.67 1n4p s SER 218 Cb -0.37 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.12 1n4p s SER 218 CO 0.30 -1.33 0.11 -2.28 0.98 0.00 0.00 173.24 171.02 1n4p s HIS 219 N -1.37 0.02 0.33 5.02 2.46 -0.05 -4.82 115.29 116.88 1n4p s HIS 219 Ca 0.68 -0.05 0.04 0.00 0.47 0.00 0.00 55.06 56.21 1n4p s HIS 219 Cb -0.37 -0.04 0.66 0.00 -0.13 0.00 0.00 32.58 32.70 1n4p s HIS 219 CO 0.44 -0.21 1.91 0.78 -2.47 0.00 0.00 174.74 175.19 1n4p h GLY 220 N 4.85 1.22 0.70 1.59 0.00 -0.11 0.08 103.07 111.40 1n4p h GLY 220 Ca -0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1n4p h GLY 220 CO 0.41 0.21 -0.01 -1.33 0.00 0.00 0.00 176.54 175.83 1n4p h GLY 221 N 0.86 0.11 2.00 4.60 0.00 -1.92 -2.15 103.07 106.57 1n4p h GLY 221 Ca 0.39 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1n4p h GLY 221 CO -0.16 0.08 -0.48 1.48 0.00 0.00 0.00 176.54 177.46 1n4p h SER 222 N -0.21 0.00 -0.58 0.19 4.64 -1.74 -1.76 113.55 114.09 1n4p h SER 222 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1n4p h SER 222 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1n4p h SER 222 CO 0.00 0.48 0.02 0.74 -0.87 0.00 0.00 176.83 177.20 1n4p h THR 223 N 0.00 1.26 -0.11 2.95 2.02 -0.94 0.41 112.91 118.51 1n4p h THR 223 Ca -0.00 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1n4p h THR 223 Cb 0.94 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1n4p h THR 223 CO 0.06 0.40 0.05 0.15 0.37 0.00 0.00 175.52 176.56 1n4p h PHE 224 N 0.90 0.16 -0.69 3.16 3.57 -1.06 -0.34 116.94 122.64 1n4p h PHE 224 Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1n4p h PHE 224 Cb 0.53 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1n4p h PHE 224 CO 0.04 0.21 0.37 0.00 -2.23 0.00 0.00 178.31 176.70 1n4p h GLY 226 N 0.67 -0.27 0.98 0.00 0.00 -0.74 -1.73 103.07 101.98 1n4p h GLY 226 Ca 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1n4p h GLY 226 CO -0.21 -0.10 0.27 -2.22 0.00 0.00 0.00 176.54 174.29 1n4p h ILE 227 N -0.68 1.15 -0.70 2.60 1.08 -0.91 -2.06 117.51 117.99 1n4p h ILE 227 Ca -0.03 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.03 1n4p h ILE 227 Cb 0.48 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1n4p h ILE 227 CO 0.04 0.16 0.26 0.00 -0.69 0.00 0.00 178.15 177.92 1n4p h ALA 228 N 1.12 1.14 -0.21 1.87 0.00 -0.39 -1.27 119.26 121.52 1n4p h ALA 228 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n4p h ALA 228 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n4p h ALA 228 CO -0.03 0.61 0.13 0.77 0.00 0.00 0.00 179.25 180.74 1n4p h SER 229 N 1.02 0.23 -0.64 0.00 0.02 -0.99 0.12 113.55 113.31 1n4p h SER 229 Ca 0.23 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1n4p h SER 229 Cb 0.22 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1n4p h SER 229 CO -0.02 0.17 0.33 -0.07 -1.14 0.00 0.00 176.83 176.10 1n4p h LEU 230 N 0.27 0.85 -0.34 5.07 3.38 -1.00 -0.91 115.31 122.64 1n4p h LEU 230 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 230 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1n4p h LEU 230 CO -0.02 0.71 0.04 0.00 0.09 0.00 0.00 178.44 179.27 1n4p h LEU 232 N 0.39 0.46 0.00 0.00 4.07 -0.49 0.16 115.31 119.90 1n4p h LEU 232 Ca 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1n4p h LEU 232 Cb 0.37 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1n4p h LEU 232 CO 0.01 0.32 -0.15 0.24 -1.08 0.00 0.00 178.44 177.78 1n4p h MET 233 N 0.54 0.00 -3.40 1.13 2.86 -0.67 -3.48 114.93 111.91 1n4p h MET 233 Ca 0.18 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.64 1n4p h MET 233 Cb 0.07 0.00 0.07 0.00 0.06 0.00 0.00 31.60 31.80 1n4p h MET 233 CO -0.05 0.00 -0.33 0.41 1.06 0.00 0.00 176.91 178.00 1n4p n GLY 234 N 1.30 0.20 0.65 8.32 0.00 0.56 -4.96 105.19 111.27 1n4p n GLY 234 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1n4p n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4p n LYS 235 N -2.62 0.26 0.28 1.61 5.02 -0.01 -4.89 118.16 117.81 1n4p n LYS 235 Ca -0.03 -1.55 -0.18 0.00 -2.02 0.00 0.00 58.31 54.54 1n4p n LYS 235 Cb 0.54 -0.59 -0.09 0.00 -0.02 0.00 0.00 35.03 34.86 1n4p n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1n4p h LEU 236 N 0.26 -1.25 -1.09 -0.35 6.46 -1.90 -0.62 115.31 116.82 1n4p h LEU 236 Ca -0.05 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.91 1n4p h LEU 236 Cb 1.43 0.41 -0.07 0.00 -0.73 0.00 0.00 40.66 41.70 1n4p h LEU 236 CO 0.02 -0.63 0.62 -0.33 -0.62 0.00 0.00 178.44 177.50 1n4p h GLU 237 N -0.95 0.98 -0.15 1.25 4.39 -1.90 -1.82 114.58 116.38 1n4p h GLU 237 Ca -0.05 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1n4p h GLU 237 Cb 0.82 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1n4p h GLU 237 CO -0.05 0.65 -0.51 1.49 -1.16 0.00 0.00 179.01 179.43 1n4p h GLU 238 N 1.00 0.42 0.22 2.33 4.81 -1.83 -3.33 114.58 118.19 1n4p h GLU 238 Ca 0.45 -0.25 -0.34 0.00 -0.13 0.00 0.00 59.36 59.09 1n4p h GLU 238 Cb 0.37 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.79 1n4p h GLU 238 CO -0.20 0.83 -1.62 0.28 -0.73 0.00 0.00 179.01 177.56 1n4p h VAL 239 N 0.33 1.09 -3.74 0.32 2.07 -0.61 -3.46 116.25 112.25 1n4p h VAL 239 Ca 0.01 -2.59 -0.68 0.00 0.82 0.00 0.00 66.70 64.26 1n4p h VAL 239 Cb 1.00 2.89 -0.23 0.00 -1.52 0.00 0.00 31.29 33.44 1n4p h VAL 239 CO 0.09 0.84 -0.74 -0.36 0.02 0.00 0.00 177.57 177.41 1n4p s PHE 240 N -2.58 2.81 0.96 1.57 2.99 -0.73 -5.08 117.98 117.91 1n4p s PHE 240 Ca -0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 56.93 56.45 1n4p s PHE 240 Cb 0.05 -1.72 0.17 0.00 0.00 0.00 0.00 43.02 41.52 1n4p s PHE 240 CO 0.89 0.13 1.12 -1.54 -0.00 0.00 0.00 175.22 175.82 1n4p s SER 241 N -0.45 3.05 0.21 1.36 1.04 -1.26 -4.61 113.70 113.03 1n4p s SER 241 Ca 0.06 1.02 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1n4p s SER 241 Cb -0.12 -1.61 0.15 0.00 0.10 0.00 0.00 66.02 64.54 1n4p s SER 241 CO 0.02 -2.85 1.78 -0.08 0.98 0.00 0.00 173.24 173.09 1n4p h GLU 242 N -1.70 1.16 -0.47 4.02 4.81 -1.99 0.35 114.58 120.77 1n4p h GLU 242 Ca -0.52 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.50 1n4p h GLU 242 Cb 1.33 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1n4p h GLU 242 CO 0.59 0.94 0.27 -0.22 -0.73 0.00 0.00 179.01 179.86 1n4p h LYS 243 N 1.13 0.64 -0.25 1.92 3.64 -1.99 -0.75 116.57 120.91 1n4p h LYS 243 Ca 0.26 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1n4p h LYS 243 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1n4p h LYS 243 CO -0.02 0.49 0.10 0.93 -2.27 0.00 0.00 179.45 178.68 1n4p h GLU 244 N 0.62 0.37 -0.13 1.90 5.08 -1.80 -2.14 114.58 118.47 1n4p h GLU 244 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1n4p h GLU 244 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1n4p h GLU 244 CO -0.03 0.40 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.29 1n4p h LEU 245 N 0.26 0.17 -0.60 1.33 3.38 -0.72 -0.84 115.31 118.28 1n4p h LEU 245 Ca 0.08 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1n4p h LEU 245 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1n4p h LEU 245 CO -0.01 0.22 -0.26 0.78 0.09 0.00 0.00 178.44 179.27 1n4p h ASN 246 N 0.18 0.86 -0.48 -0.43 -0.26 -0.73 -0.35 115.58 114.38 1n4p h ASN 246 Ca 0.04 -0.33 -0.13 0.00 -0.56 0.00 0.00 56.30 55.32 1n4p h ASN 246 Cb 0.16 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1n4p h ASN 246 CO 0.00 1.07 -0.20 0.03 -1.06 0.00 0.00 177.43 177.28 1n4p h ARG 247 N 0.72 0.99 -0.32 0.81 3.08 -0.69 -1.41 114.38 117.58 1n4p h ARG 247 Ca 0.09 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 1n4p h ARG 247 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1n4p h ARG 247 CO 0.07 1.09 -0.00 0.82 -1.07 0.00 0.00 179.97 180.88 1n4p h ILE 248 N 0.86 1.26 -0.73 2.04 2.04 -1.03 -1.51 117.51 120.43 1n4p h ILE 248 Ca 0.11 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.09 1n4p h ILE 248 Cb 0.77 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1n4p h ILE 248 CO 0.06 0.31 0.41 0.11 0.00 0.00 0.00 178.15 179.04 1n4p h LYS 249 N 0.36 0.70 -0.58 2.37 1.57 -0.91 0.33 116.57 120.40 1n4p h LYS 249 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1n4p h LYS 249 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1n4p h LYS 249 CO 0.02 0.46 0.34 -0.09 -0.57 0.00 0.00 179.45 179.61 1n4p h ARG 250 N 0.72 0.79 -0.31 3.15 9.65 -1.00 0.01 114.38 127.39 1n4p h ARG 250 Ca 0.34 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1n4p h ARG 250 Cb 0.27 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1n4p h ARG 250 CO -0.22 0.58 0.10 2.35 2.80 0.00 0.00 179.97 185.58 1n4p h TRP 251 N 0.78 0.49 -0.06 2.20 7.01 -0.35 -2.53 115.95 123.49 1n4p h TRP 251 Ca 0.21 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1n4p h TRP 251 Cb -0.00 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1n4p h TRP 251 CO -0.02 0.50 0.02 0.00 -2.79 0.00 0.00 178.44 176.15 1n4p h ILE 253 N -0.05 0.00 0.00 0.00 2.10 -0.99 -0.97 117.51 117.60 1n4p h ILE 253 Ca 0.02 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1n4p h ILE 253 Cb 0.14 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1n4p h ILE 253 CO -0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1n4p n MET 254 N -2.66 0.02 0.15 2.19 2.81 -0.96 -3.15 117.12 115.53 1n4p n MET 254 Ca 0.00 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 1n4p n MET 254 Cb 0.21 -1.50 0.45 0.00 -0.71 0.00 0.00 33.22 31.67 1n4p n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n4p h ARG 255 N 0.00 0.00 -6.30 0.03 2.47 -1.21 -3.44 114.38 105.93 1n4p h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4p h ARG 255 Cb 0.41 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 1n4p h ARG 255 CO 0.00 0.00 0.33 -1.14 0.56 0.00 0.00 179.97 179.72 1n4p s GLN 256 N -3.28 4.51 -0.08 0.04 0.74 -1.19 -2.42 119.66 117.98 1n4p s GLN 256 Ca 0.06 1.29 0.00 0.00 0.05 0.00 0.00 55.36 56.77 1n4p s GLN 256 Cb 0.10 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1n4p s GLN 256 CO 0.52 -0.06 -0.08 1.04 -0.55 0.00 0.00 175.29 176.16 1n4p n GLN 257 N 4.04 0.21 0.14 1.67 1.13 -1.26 -4.97 117.38 118.34 1n4p n GLN 257 Ca 0.05 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1n4p n GLN 257 Cb 0.51 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.70 1n4p n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n4p n ASN 258 N -2.77 -2.55 -0.56 1.08 0.23 -1.26 -5.07 115.26 104.37 1n4p n ASN 258 Ca -0.15 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.59 1n4p n ASN 258 Cb 0.66 2.54 0.00 0.00 -2.08 0.00 0.00 39.78 40.90 1n4p n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4p n GLY 259 N -1.36 1.76 3.36 4.83 0.00 -1.26 -2.26 105.19 110.27 1n4p n GLY 259 Ca 0.00 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 1n4p n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4p s TYR 260 N 1.67 2.27 0.34 1.61 1.51 -1.26 -4.45 117.35 119.04 1n4p s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1n4p s TYR 260 Cb 0.00 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1n4p s TYR 260 CO 0.00 0.25 0.18 -3.38 -1.11 0.00 0.00 175.55 171.49 1n4p s HIS 261 N -0.97 2.76 -0.36 2.71 -3.43 -1.02 -1.06 115.29 113.92 1n4p s HIS 261 Ca 0.13 -0.36 0.22 0.00 -0.80 0.00 0.00 55.06 54.25 1n4p s HIS 261 Cb -0.10 -1.67 0.22 0.00 -1.43 0.00 0.00 32.58 29.60 1n4p s HIS 261 CO 0.04 0.31 1.43 0.78 -2.00 0.00 0.00 174.74 175.30 1n4p h GLY 262 N 1.48 0.00 -3.68 -1.38 0.00 -1.86 -3.45 103.07 94.17 1n4p h GLY 262 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1n4p h GLY 262 CO 0.62 0.00 0.28 1.09 0.00 0.00 0.00 176.54 178.53 1n4p s ARG 263 N -3.24 1.04 0.21 4.80 1.70 -1.26 0.62 118.95 122.82 1n4p s ARG 263 Ca 0.05 -0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 1n4p s ARG 263 Cb 0.06 0.48 -0.16 0.00 -0.57 0.00 0.00 34.95 34.77 1n4p s ARG 263 CO 0.71 -0.38 0.81 -2.30 -1.08 0.00 0.00 175.30 173.06 1n4p n PRO 264 N 0.37 0.61 -1.98 3.89 -0.02 -1.26 -2.33 135.00 134.28 1n4p n PRO 264 Ca -0.16 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.34 1n4p n PRO 264 Cb 0.60 -1.45 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 1n4p n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n4p n ASN 265 N 1.71 -5.44 -4.41 2.55 3.02 -1.26 -5.01 115.26 106.42 1n4p n ASN 265 Ca 0.15 0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.64 1n4p n ASN 265 Cb 0.26 -4.56 -0.12 0.00 -0.61 0.00 0.00 39.78 34.74 1n4p n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n4p s LYS 266 N -4.32 1.48 0.61 3.52 -0.14 -0.98 -5.12 119.74 114.78 1n4p s LYS 266 Ca 0.00 -1.38 -0.18 0.00 -1.36 0.00 0.00 55.97 53.05 1n4p s LYS 266 Cb 0.00 -1.91 -0.03 0.00 -1.68 0.00 0.00 37.83 34.21 1n4p s LYS 266 CO 0.00 0.44 1.21 -1.25 -0.76 0.00 0.00 175.35 174.99 1n4p s PRO 267 N -2.23 2.84 0.64 -1.68 0.04 -1.26 -4.78 135.00 128.58 1n4p s PRO 267 Ca 0.16 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1n4p s PRO 267 Cb -0.10 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1n4p s PRO 267 CO 0.07 -1.31 1.09 0.14 0.04 0.00 0.00 177.00 177.04 1n4p s VAL 268 N -1.63 3.43 -0.10 -0.36 -7.23 -1.26 -4.49 120.40 108.76 1n4p s VAL 268 Ca 0.77 0.66 -0.05 0.00 -1.81 0.00 0.00 61.98 61.55 1n4p s VAL 268 Cb -0.31 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.49 1n4p s VAL 268 CO 0.35 -0.42 0.23 -0.62 -0.31 0.00 0.00 175.10 174.33 1n4p s ASP 269 N -2.70 -0.15 0.31 4.85 -1.08 -0.22 -4.83 116.67 112.85 1n4p s ASP 269 Ca 0.66 0.49 0.05 0.00 -0.52 0.00 0.00 52.55 53.23 1n4p s ASP 269 Cb -0.19 0.40 0.82 0.00 -1.46 0.00 0.00 42.92 42.49 1n4p s ASP 269 CO 0.41 -0.17 1.50 0.41 0.52 0.00 0.00 175.17 177.84 1n4p n THR 270 N 4.37 -0.40 0.26 1.71 -1.04 -0.86 -0.93 114.28 117.39 1n4p n THR 270 Ca -0.23 2.08 0.16 0.00 -2.04 0.00 0.00 64.05 64.02 1n4p n THR 270 Cb 0.52 -3.09 0.88 0.00 -1.82 0.00 0.00 70.33 66.82 1n4p n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4p h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.28 -1.30 116.97 114.45 1n4p h TYR 272 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1n4p h TYR 272 Cb 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 1n4p h TYR 272 CO 0.00 0.00 -0.04 0.77 -1.05 0.00 0.00 178.16 177.84 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.21 0.54 113.55 116.78 1n4p h SER 273 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1n4p h SER 273 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1n4p h SER 273 CO 0.00 0.04 -1.52 0.33 -1.14 0.00 0.00 176.83 174.54 1n4p n PHE 274 N -3.96 0.50 -0.03 3.45 7.35 -0.56 -3.01 117.46 121.20 1n4p n PHE 274 Ca -0.03 0.22 -0.11 0.00 -0.76 0.00 0.00 57.45 56.77 1n4p n PHE 274 Cb 0.13 -0.91 -0.05 0.00 0.35 0.00 0.00 39.48 38.99 1n4p n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n4p h TRP 275 N -1.00 -1.16 0.16 -5.13 -0.00 -1.25 0.79 115.95 108.35 1n4p h TRP 275 Ca -0.35 0.05 -0.25 0.00 -0.00 0.00 0.00 58.89 58.34 1n4p h TRP 275 Cb 1.22 0.54 0.03 0.00 -0.00 0.00 0.00 29.16 30.95 1n4p h TRP 275 CO -0.11 -0.46 -1.08 0.28 -0.00 0.00 0.00 178.44 177.08 1n4p h VAL 276 N -0.44 1.39 -0.60 1.49 2.07 -1.13 -3.04 116.25 115.99 1n4p h VAL 276 Ca 0.09 -2.52 0.04 0.00 0.82 0.00 0.00 66.70 65.14 1n4p h VAL 276 Cb 0.61 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1n4p h VAL 276 CO -0.43 0.74 0.34 1.23 0.02 0.00 0.00 177.57 179.47 1n4p h GLY 277 N -0.05 0.87 1.63 2.17 0.00 -1.37 -0.28 103.07 106.04 1n4p h GLY 277 Ca -0.18 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1n4p h GLY 277 CO 0.21 0.17 -0.12 0.00 0.00 0.00 0.00 176.54 176.80 1n4p h ALA 278 N 1.30 1.29 -0.36 3.60 0.00 0.50 -0.03 119.26 125.56 1n4p h ALA 278 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n4p h ALA 278 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n4p h ALA 278 CO -0.14 0.47 -0.01 1.15 0.00 0.00 0.00 179.25 180.71 1n4p h THR 279 N 0.42 1.26 -0.63 0.00 2.02 -1.19 -0.37 112.91 114.42 1n4p h THR 279 Ca 0.08 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1n4p h THR 279 Cb 0.47 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1n4p h THR 279 CO 0.03 0.33 0.29 -0.07 0.37 0.00 0.00 175.52 176.47 1n4p h LEU 280 N 0.45 0.80 -0.56 2.58 3.38 -0.58 -0.18 115.31 121.20 1n4p h LEU 280 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1n4p h LEU 280 Cb 0.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1n4p h LEU 280 CO 0.02 0.69 0.07 0.50 0.09 0.00 0.00 178.44 179.81 1n4p h LYS 281 N 0.89 0.94 0.00 1.13 1.63 -0.53 -0.72 116.57 119.90 1n4p h LYS 281 Ca 0.22 -0.27 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1n4p h LYS 281 Cb 0.11 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1n4p h LYS 281 CO -0.03 0.92 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.54 1n4p h LEU 282 N 0.83 0.00 -1.33 5.20 3.38 -0.32 -1.51 115.31 121.57 1n4p h LEU 282 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n4p h LEU 282 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1n4p h LEU 282 CO 0.02 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1n4p n LEU 283 N -4.08 1.96 -2.46 1.67 4.77 -0.15 -4.94 117.00 113.77 1n4p n LEU 283 Ca -0.02 -0.90 -0.21 0.00 -0.03 0.00 0.00 56.01 54.85 1n4p n LEU 283 Cb 0.34 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1n4p n LEU 283 CO 0.37 0.45 -0.22 0.29 -1.33 0.00 0.00 177.39 176.95 1n4p n LYS 284 N 0.54 -2.19 -0.08 3.23 5.02 -0.41 -4.87 118.16 119.39 1n4p n LYS 284 Ca 0.15 0.99 0.01 0.00 -2.02 0.00 0.00 58.31 57.44 1n4p n LYS 284 Cb 0.35 -5.67 0.02 0.00 -0.02 0.00 0.00 35.03 29.70 1n4p n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4p n ILE 285 N -4.10 0.52 0.21 -0.18 -5.35 -0.42 -4.73 119.36 105.31 1n4p n ILE 285 Ca -0.22 -0.57 0.05 0.00 -0.27 0.00 0.00 62.75 61.74 1n4p n ILE 285 Cb 0.68 0.63 0.51 0.00 -1.74 0.00 0.00 39.64 39.72 1n4p n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1n4p h PHE 286 N 0.00 0.06 -0.17 4.28 3.57 -1.81 -1.36 116.94 121.50 1n4p h PHE 286 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1n4p h PHE 286 Cb 0.90 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1n4p h PHE 286 CO 0.01 0.18 0.21 -0.56 -2.23 0.00 0.00 178.31 175.93 1n4p h GLN 287 N 0.05 0.00 -0.12 1.11 3.07 -1.89 -1.03 115.11 116.31 1n4p h GLN 287 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1n4p h GLN 287 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1n4p h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1n4p n TYR 288 N -3.66 0.14 -2.15 0.06 0.53 -0.51 -4.92 117.16 106.64 1n4p n TYR 288 Ca 0.01 -0.07 -0.27 0.00 -1.02 0.00 0.00 57.90 56.56 1n4p n TYR 288 Cb 0.33 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.73 1n4p n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1n4p s THR 289 N -1.86 2.18 -0.46 -0.72 -4.23 -0.39 -5.02 115.64 105.14 1n4p s THR 289 Ca 0.35 -0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1n4p s THR 289 Cb 0.19 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 71.11 1n4p s THR 289 CO 0.30 0.00 0.67 0.21 -0.54 0.00 0.00 174.62 175.26 1n4p s ASN 290 N -4.60 6.31 0.05 3.99 3.84 -1.26 -4.95 114.94 118.32 1n4p s ASN 290 Ca 0.63 -0.45 -0.20 0.00 0.21 0.00 0.00 52.86 53.05 1n4p s ASN 290 Cb -0.09 -2.33 -0.13 0.00 -0.55 0.00 0.00 41.25 38.16 1n4p s ASN 290 CO 0.46 -0.85 1.41 -0.26 -2.79 0.00 0.00 177.10 175.08 1n4p h PHE 291 N 8.95 0.41 -0.41 0.43 0.05 -1.95 -3.18 116.94 121.25 1n4p h PHE 291 Ca -0.26 -0.10 0.03 0.00 3.82 0.00 0.00 57.97 61.46 1n4p h PHE 291 Cb 1.09 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.91 1n4p h PHE 291 CO 0.75 0.67 0.21 1.49 -0.18 0.00 0.00 178.31 181.25 1n4p h GLU 292 N 0.04 0.41 -0.35 1.51 4.22 -1.97 0.90 114.58 119.35 1n4p h GLU 292 Ca 0.04 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.37 1n4p h GLU 292 Cb 0.56 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1n4p h GLU 292 CO 0.02 0.27 -0.12 0.87 -2.18 0.00 0.00 179.01 177.88 1n4p h LYS 293 N 0.42 0.61 0.15 1.92 1.57 -1.85 0.13 116.57 119.52 1n4p h LYS 293 Ca 0.17 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1n4p h LYS 293 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1n4p h LYS 293 CO -0.11 0.71 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.44 1n4p h ASN 294 N 0.56 -0.17 -0.51 0.86 -1.24 -1.05 -1.75 115.58 112.27 1n4p h ASN 294 Ca 0.10 -0.29 0.05 0.00 0.71 0.00 0.00 56.30 56.87 1n4p h ASN 294 Cb 0.53 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.58 1n4p h ASN 294 CO 0.03 0.22 0.24 -0.09 -1.29 0.00 0.00 177.43 176.54 1n4p h ARG 295 N -0.58 0.45 -0.65 6.67 2.43 -0.69 -1.22 114.38 120.79 1n4p h ARG 295 Ca -0.02 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1n4p h ARG 295 Cb 0.45 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1n4p h ARG 295 CO 0.03 0.30 0.37 -0.97 -1.51 0.00 0.00 179.97 178.19 1n4p h ASN 296 N 0.47 0.56 0.05 -3.80 -1.24 -0.71 -1.45 115.58 109.45 1n4p h ASN 296 Ca 0.23 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 1n4p h ASN 296 Cb 0.17 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1n4p h ASN 296 CO -0.18 0.37 -0.02 0.22 -1.29 0.00 0.00 177.43 176.53 1n4p h TYR 297 N 0.70 -0.06 -0.32 0.67 3.20 -0.65 -2.07 116.97 118.45 1n4p h TYR 297 Ca 0.28 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.22 1n4p h TYR 297 Cb 0.14 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1n4p h TYR 297 CO -0.07 0.15 -0.14 0.82 -1.64 0.00 0.00 178.16 177.28 1n4p h ILE 298 N -0.26 0.55 0.00 1.81 2.04 -0.96 -0.38 117.51 120.31 1n4p h ILE 298 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1n4p h ILE 298 Cb 0.24 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1n4p h ILE 298 CO 0.01 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.98 1n4p h LEU 299 N -0.09 0.00 -0.37 1.44 3.38 -1.24 -0.95 115.31 117.47 1n4p h LEU 299 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1n4p h LEU 299 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1n4p h LEU 299 CO -0.38 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 1n4p n SER 300 N -3.86 0.39 -1.09 -0.43 3.41 -0.16 -1.83 113.62 110.05 1n4p n SER 300 Ca -0.02 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1n4p n SER 300 Cb 0.21 -0.68 0.26 0.00 -0.26 0.00 0.00 64.21 63.74 1n4p n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4p n THR 301 N -1.93 0.97 -2.61 6.66 -2.24 -0.36 -4.31 114.28 110.46 1n4p n THR 301 Ca 0.03 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.41 1n4p n THR 301 Cb 0.22 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1n4p n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n4p s GLN 302 N -1.02 4.59 -0.58 -0.78 0.74 -0.76 -0.97 119.66 120.89 1n4p s GLN 302 Ca 0.39 1.58 -0.20 0.00 0.05 0.00 0.00 55.36 57.18 1n4p s GLN 302 Cb 0.21 -3.36 0.08 0.00 1.10 0.00 0.00 33.01 31.03 1n4p s GLN 302 CO 0.27 0.03 0.76 0.34 -0.55 0.00 0.00 175.29 176.15 1n4p s ASP 303 N 0.37 6.21 0.40 6.67 -1.08 -0.56 -4.91 116.67 123.77 1n4p s ASP 303 Ca 0.51 -1.09 0.29 0.00 -0.52 0.00 0.00 52.55 51.74 1n4p s ASP 303 Cb -0.26 -2.34 1.27 0.00 -1.46 0.00 0.00 42.92 40.14 1n4p s ASP 303 CO 0.31 -1.13 1.86 0.03 0.52 0.00 0.00 175.17 176.75 1n4p h ARG 304 N 9.23 0.00 0.00 4.34 3.08 -1.88 0.93 114.38 130.08 1n4p h ARG 304 Ca -0.28 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 1n4p h ARG 304 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1n4p h ARG 304 CO 1.08 0.00 -0.95 -0.11 -1.07 0.00 0.00 179.97 178.92 1n4p n LEU 305 N -2.59 1.84 0.02 3.04 -0.00 -1.26 -4.63 117.00 113.42 1n4p n LEU 305 Ca 0.01 0.52 0.11 0.00 -0.00 0.00 0.00 56.01 56.65 1n4p n LEU 305 Cb 0.21 -0.90 -0.06 0.00 -0.00 0.00 0.00 43.42 42.68 1n4p n LEU 305 CO 0.21 -0.11 -0.22 1.33 -0.00 0.00 0.00 177.39 178.59 1n4p n VAL 306 N -4.52 0.12 0.00 1.96 0.24 -1.24 -5.10 118.33 109.80 1n4p n VAL 306 Ca -0.20 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1n4p n VAL 306 Cb 0.48 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1n4p n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n4p n GLY 307 N 1.35 0.07 0.54 7.63 0.00 0.32 -4.48 105.19 110.61 1n4p n GLY 307 Ca 0.00 -1.98 0.07 0.00 0.00 0.00 0.00 46.02 44.12 1n4p n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4p n GLY 308 N -0.16 -1.63 3.33 -0.02 0.00 -1.26 -4.30 105.19 101.15 1n4p n GLY 308 Ca 0.00 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 1n4p n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4p s PHE 309 N -1.64 1.67 0.47 1.61 0.40 -1.26 -1.49 117.98 117.74 1n4p s PHE 309 Ca 0.00 -0.58 0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1n4p s PHE 309 Cb 0.00 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 1n4p s PHE 309 CO 0.00 0.33 0.11 0.00 0.70 0.00 0.00 175.22 176.36 1n4p s ALA 310 N -2.90 3.85 0.12 5.36 0.00 -0.14 -2.52 121.76 125.53 1n4p s ALA 310 Ca 0.21 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1n4p s ALA 310 Cb -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.83 1n4p s ALA 310 CO 0.06 -0.15 1.33 1.57 0.00 0.00 0.00 175.76 178.57 1n4p h LYS 311 N 1.36 0.73 -5.44 0.00 2.10 -1.88 -3.40 116.57 110.03 1n4p h LYS 311 Ca -0.43 -0.60 -0.42 0.00 -2.00 0.00 0.00 60.65 57.20 1n4p h LYS 311 Cb 1.28 0.13 -0.14 0.00 -0.90 0.00 0.00 32.23 32.59 1n4p h LYS 311 CO 0.72 1.21 -0.73 -1.58 -2.00 0.00 0.00 179.45 177.07 1n4p s TRP 312 N -3.72 1.62 0.51 0.07 0.51 -1.26 -2.02 118.94 114.65 1n4p s TRP 312 Ca -0.09 -0.62 -0.22 0.00 -2.12 0.00 0.00 56.10 53.04 1n4p s TRP 312 Cb 0.09 -0.77 -0.06 0.00 -0.81 0.00 0.00 33.47 31.92 1n4p s TRP 312 CO 0.89 0.29 1.24 -1.25 -0.51 0.00 0.00 176.95 177.62 1n4p s PRO 313 N -3.67 3.41 -1.53 4.98 0.04 -1.26 -2.65 135.00 134.31 1n4p s PRO 313 Ca 0.22 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 1n4p s PRO 313 Cb 0.00 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1n4p s PRO 313 CO 0.06 -0.89 0.12 -0.25 0.04 0.00 0.00 177.00 176.08 1n4p n ASP 314 N -0.86 -5.40 -4.51 6.66 8.00 -1.26 -4.99 116.55 114.18 1n4p n ASP 314 Ca 0.09 -0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 1n4p n ASP 314 Cb 0.47 -4.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.06 1n4p n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n4p s SER 315 N -2.30 3.72 0.18 -2.24 0.15 -1.08 -5.11 113.70 107.01 1n4p s SER 315 Ca 0.06 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.37 1n4p s SER 315 Cb -0.03 -0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 63.85 1n4p s SER 315 CO 0.08 -0.04 1.11 -1.00 1.20 0.00 0.00 173.24 174.59 1n4p s HIS 316 N -2.52 3.58 0.66 3.44 0.09 -1.26 -4.70 115.29 114.56 1n4p s HIS 316 Ca 0.31 1.58 -0.12 0.00 -0.00 0.00 0.00 55.06 56.83 1n4p s HIS 316 Cb -0.03 -3.29 -0.01 0.00 -0.00 0.00 0.00 32.58 29.25 1n4p s HIS 316 CO 0.16 -0.66 1.05 -1.25 -0.00 0.00 0.00 174.74 174.04 1n4p s PRO 317 N -0.34 3.11 0.14 8.40 0.04 -1.26 -4.58 135.00 140.52 1n4p s PRO 317 Ca 0.50 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1n4p s PRO 317 Cb -0.30 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1n4p s PRO 317 CO 0.35 -0.96 0.33 0.16 0.04 0.00 0.00 177.00 176.92 1n4p s ASP 318 N -3.50 -0.07 0.27 6.66 1.47 -1.05 -4.95 116.67 115.50 1n4p s ASP 318 Ca 0.59 -0.58 -0.01 0.00 1.18 0.00 0.00 52.55 53.73 1n4p s ASP 318 Cb -0.14 0.45 0.46 0.00 -0.34 0.00 0.00 42.92 43.34 1n4p s ASP 318 CO 0.49 -0.86 1.86 0.00 0.68 0.00 0.00 175.17 177.33 1n4p h ALA 319 N 2.49 1.43 -0.05 2.11 0.00 -1.97 -1.31 119.26 121.95 1n4p h ALA 319 Ca -0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1n4p h ALA 319 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1n4p h ALA 319 CO 0.48 0.35 0.00 1.25 0.00 0.00 0.00 179.25 181.33 1n4p h LEU 320 N 1.09 0.09 -0.92 0.00 6.46 -1.96 -1.55 115.31 118.53 1n4p h LEU 320 Ca 0.46 -0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1n4p h LEU 320 Cb 0.30 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1n4p h LEU 320 CO -0.21 0.37 -0.22 0.45 -0.62 0.00 0.00 178.44 178.20 1n4p h HIS 321 N -0.18 0.00 -0.16 1.25 3.86 -1.76 -1.36 115.15 116.80 1n4p h HIS 321 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1n4p h HIS 321 Cb 0.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1n4p h HIS 321 CO 0.03 0.22 -0.25 0.00 0.86 0.00 0.00 177.93 178.79 1n4p h ALA 322 N 1.78 0.24 -0.16 2.45 0.00 -1.15 -0.04 119.26 122.37 1n4p h ALA 322 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1n4p h ALA 322 Cb 0.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1n4p h ALA 322 CO 0.03 0.22 0.01 -0.92 0.00 0.00 0.00 179.25 178.59 1n4p h TYR 323 N 0.07 0.29 0.00 0.00 3.20 -1.11 -2.32 116.97 117.11 1n4p h TYR 323 Ca 0.01 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1n4p h TYR 323 Cb 0.83 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1n4p h TYR 323 CO 0.09 0.47 -0.45 0.74 -1.64 0.00 0.00 178.16 177.38 1n4p h PHE 324 N 0.03 0.00 -0.54 -3.82 0.05 -1.30 -0.33 116.94 111.04 1n4p h PHE 324 Ca 0.05 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.72 1n4p h PHE 324 Cb 0.35 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.28 1n4p h PHE 324 CO 0.03 0.45 -0.11 0.78 -0.18 0.00 0.00 178.31 179.27 1n4p h GLY 325 N 2.06 1.11 1.00 -1.45 0.00 -0.93 0.17 103.07 105.03 1n4p h GLY 325 Ca -0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.32 1n4p h GLY 325 CO 0.06 0.83 -0.14 -2.22 0.00 0.00 0.00 176.54 175.07 1n4p h ILE 326 N 0.90 1.28 -0.10 2.60 2.04 -1.09 -1.04 117.51 122.10 1n4p h ILE 326 Ca 0.14 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 64.67 1n4p h ILE 326 Cb 0.68 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1n4p h ILE 326 CO 0.05 0.42 -0.30 0.00 0.00 0.00 0.00 178.15 178.32 1n4p h GLY 328 N 1.02 0.73 1.03 0.00 0.00 -0.32 -1.86 103.07 103.67 1n4p h GLY 328 Ca 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1n4p h GLY 328 CO 0.04 0.46 0.41 1.41 0.00 0.00 0.00 176.54 178.87 1n4p h LEU 329 N 0.52 1.09 -1.39 3.11 4.07 -0.73 -2.62 115.31 119.36 1n4p h LEU 329 Ca 0.12 -0.13 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1n4p h LEU 329 Cb 0.40 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 1n4p h LEU 329 CO 0.01 0.91 0.43 -1.28 -1.08 0.00 0.00 178.44 177.44 1n4p h SER 330 N 1.19 0.69 -0.09 -0.43 0.87 -0.69 -1.14 113.55 113.96 1n4p h SER 330 Ca 0.29 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1n4p h SER 330 Cb 0.11 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1n4p h SER 330 CO -0.04 0.48 0.06 -0.07 -0.53 0.00 0.00 176.83 176.74 1n4p h LEU 331 N 0.81 0.00 0.00 2.23 4.07 -0.95 -1.21 115.31 120.27 1n4p h LEU 331 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1n4p h LEU 331 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1n4p h LEU 331 CO -0.07 0.00 -1.05 0.23 -1.08 0.00 0.00 178.44 176.48 1n4p n MET 332 N -4.46 0.04 -0.20 1.13 2.81 -0.75 -5.06 117.12 110.62 1n4p n MET 332 Ca -0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1n4p n MET 332 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1n4p n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4p n GLU 333 N -1.55 0.00 -3.75 0.03 1.02 -0.46 -5.10 120.64 110.84 1n4p n GLU 333 Ca 0.04 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1n4p n GLU 333 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.63 1n4p n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n4p s GLU 334 N -3.60 0.13 0.05 3.49 2.56 -1.25 -4.88 118.70 115.20 1n4p s GLU 334 Ca 0.00 0.39 -0.35 0.00 0.00 0.00 0.00 54.97 55.01 1n4p s GLU 334 Cb 0.00 -0.13 -0.14 0.00 2.00 0.00 0.00 34.13 35.86 1n4p s GLU 334 CO 0.00 -0.15 1.63 0.43 -0.56 0.00 0.00 175.26 176.61 1n4p n SER 335 N 4.07 2.89 0.00 -1.70 7.64 -1.26 -1.33 113.62 123.93 1n4p n SER 335 Ca -0.25 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1n4p n SER 335 Cb 0.53 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1n4p n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4p n GLY 336 N 3.59 0.23 3.49 0.23 0.00 -1.26 -5.04 105.19 106.43 1n4p n GLY 336 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1n4p n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4p s ILE 337 N -2.07 3.01 0.69 -0.61 1.01 -0.44 -4.63 121.20 118.17 1n4p s ILE 337 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 1n4p s ILE 337 Cb 0.00 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1n4p s ILE 337 CO 0.00 0.39 1.00 0.00 0.00 0.00 0.00 174.94 176.33 1n4p s LYS 339 N -5.21 4.24 0.30 0.00 2.20 -1.26 -4.74 119.74 115.27 1n4p s LYS 339 Ca 0.60 1.24 -0.18 0.00 -0.36 0.00 0.00 55.97 57.27 1n4p s LYS 339 Cb -0.11 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 1n4p s LYS 339 CO 0.44 -0.60 0.77 0.54 -0.36 0.00 0.00 175.35 176.15 1n4p s VAL 340 N 3.09 4.58 -0.52 4.02 0.11 -1.26 -0.68 120.40 129.74 1n4p s VAL 340 Ca 0.41 1.18 -0.20 0.00 -2.93 0.00 0.00 61.98 60.45 1n4p s VAL 340 Cb -0.15 -3.71 0.06 0.00 -1.53 0.00 0.00 36.38 31.04 1n4p s VAL 340 CO 0.06 -0.06 0.66 -2.28 -3.33 0.00 0.00 175.10 170.16 1n4p s HIS 341 N -1.84 3.02 0.24 1.54 2.46 0.11 -4.72 115.29 116.11 1n4p s HIS 341 Ca 0.51 -0.51 -0.13 0.00 0.47 0.00 0.00 55.06 55.40 1n4p s HIS 341 Cb -0.13 -3.62 0.32 0.00 -0.13 0.00 0.00 32.58 29.03 1n4p s HIS 341 CO 0.18 -1.08 1.57 -1.00 -2.47 0.00 0.00 174.74 171.94 1n4p h PRO 342 N 9.04 -0.02 0.07 2.88 0.13 -1.92 -0.64 132.00 141.54 1n4p h PRO 342 Ca -0.27 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.57 1n4p h PRO 342 Cb 1.09 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.25 1n4p h PRO 342 CO 0.98 -0.01 -1.16 0.00 -0.23 0.00 0.00 178.00 177.58 1n4p h ALA 343 N 1.63 0.06 0.00 -0.56 0.00 -1.92 -3.32 119.26 115.15 1n4p h ALA 343 Ca 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1n4p h ALA 343 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1n4p h ALA 343 CO -0.92 0.70 -0.19 1.25 0.00 0.00 0.00 179.25 180.09 1n4p h LEU 344 N 0.32 0.00 -1.16 0.00 5.85 -1.90 -3.47 115.31 114.95 1n4p h LEU 344 Ca -0.16 -0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.25 1n4p h LEU 344 Cb 1.83 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.97 1n4p h LEU 344 CO 0.22 0.01 -0.54 -3.20 -0.34 0.00 0.00 178.44 174.59 1n4p n ASN 345 N -2.73 -4.29 -3.91 1.25 5.15 -0.26 -5.02 115.26 105.45 1n4p n ASN 345 Ca 0.04 -0.43 -0.09 0.00 -0.60 0.00 0.00 54.58 53.50 1n4p n ASN 345 Cb 0.50 -3.97 -0.07 0.00 -0.53 0.00 0.00 39.78 35.70 1n4p n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1n4p s VAL 346 N -3.25 0.11 0.58 3.44 -7.23 -1.24 -4.97 120.40 107.83 1n4p s VAL 346 Ca 0.31 -1.29 -0.19 0.00 -1.81 0.00 0.00 61.98 59.00 1n4p s VAL 346 Cb -0.13 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1n4p s VAL 346 CO 0.55 -0.48 1.20 -0.94 -0.31 0.00 0.00 175.10 175.12 1n4p s SER 347 N -2.91 5.29 0.42 4.85 1.04 -1.26 0.09 113.70 121.22 1n4p s SER 347 Ca 0.11 2.37 0.10 0.00 0.48 0.00 0.00 55.95 59.01 1n4p s SER 347 Cb 0.04 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 64.48 1n4p s SER 347 CO -0.06 -1.52 2.02 0.71 0.98 0.00 0.00 173.24 175.37 1n4p h THR 348 N 0.97 1.02 -0.50 2.02 1.35 -1.19 -0.53 112.91 116.05 1n4p h THR 348 Ca -0.50 -0.17 0.09 0.00 -0.55 0.00 0.00 66.41 65.27 1n4p h THR 348 Cb 1.29 0.46 -0.07 0.00 -1.73 0.00 0.00 68.15 68.11 1n4p h THR 348 CO 0.56 0.09 0.10 -0.09 -0.25 0.00 0.00 175.52 175.93 1n4p h ARG 349 N 0.51 0.23 -0.38 4.72 2.43 -1.91 0.85 114.38 120.84 1n4p h ARG 349 Ca 0.21 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 1n4p h ARG 349 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1n4p h ARG 349 CO -0.06 0.16 -0.35 1.15 -1.51 0.00 0.00 179.97 179.36 1n4p h THR 350 N 0.24 1.28 0.00 0.20 2.02 -1.50 -0.66 112.91 114.48 1n4p h THR 350 Ca 0.25 -1.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1n4p h THR 350 Cb 0.34 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1n4p h THR 350 CO -0.33 0.51 -0.18 0.77 0.37 0.00 0.00 175.52 176.66 1n4p h SER 351 N 0.73 0.00 0.56 4.18 4.64 -0.45 0.31 113.55 123.53 1n4p h SER 351 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 1n4p h SER 351 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1n4p h SER 351 CO 0.09 0.18 -1.42 -0.33 -0.87 0.00 0.00 176.83 174.47 1n4p h GLU 352 N 0.00 0.19 -0.77 4.77 5.08 -0.64 -1.77 114.58 121.44 1n4p h GLU 352 Ca -0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1n4p h GLU 352 Cb 0.45 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1n4p h GLU 352 CO 0.02 1.06 0.45 -0.09 -1.00 0.00 0.00 179.01 179.45 1n4p h ARG 353 N 0.05 1.05 -0.06 2.33 1.12 -0.51 -1.26 114.38 117.11 1n4p h ARG 353 Ca -0.19 -0.10 -0.15 0.00 -1.11 0.00 0.00 59.98 58.43 1n4p h ARG 353 Cb 1.97 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 31.70 1n4p h ARG 353 CO 0.16 0.75 -0.62 1.25 -3.11 0.00 0.00 179.97 178.40 1n4p h LEU 354 N 1.07 0.24 -0.77 3.80 5.85 -0.93 -2.44 115.31 122.13 1n4p h LEU 354 Ca 0.28 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1n4p h LEU 354 Cb -0.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1n4p h LEU 354 CO -0.05 0.79 0.02 -0.09 -0.34 0.00 0.00 178.44 178.77 1n4p h ARG 355 N 0.15 0.95 -0.06 1.25 9.65 -0.36 -1.94 114.38 124.02 1n4p h ARG 355 Ca -0.01 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1n4p h ARG 355 Cb 1.12 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1n4p h ARG 355 CO 0.09 0.93 0.02 -0.44 2.80 0.00 0.00 179.97 183.38 1n4p h ASP 356 N 0.88 0.08 -1.00 -3.80 3.32 -1.10 -2.33 116.42 112.46 1n4p h ASP 356 Ca 0.17 -0.17 0.17 0.00 0.02 0.00 0.00 57.03 57.21 1n4p h ASP 356 Cb 0.49 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.92 1n4p h ASP 356 CO 0.02 0.23 0.62 -0.07 -1.72 0.00 0.00 179.24 178.32 1n4p h LEU 357 N -0.07 0.83 -0.51 1.55 3.38 -1.19 -0.72 115.31 118.58 1n4p h LEU 357 Ca 0.02 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1n4p h LEU 357 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1n4p h LEU 357 CO -0.00 0.34 -0.39 0.45 0.09 0.00 0.00 178.44 178.94 1n4p h HIS 358 N 0.84 0.94 -0.35 1.13 3.86 -1.11 -2.51 115.15 117.95 1n4p h HIS 358 Ca 0.55 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1n4p h HIS 358 Cb 0.77 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1n4p h HIS 358 CO -0.00 1.05 0.05 1.96 0.86 0.00 0.00 177.93 181.84 1n4p h GLN 359 N 0.65 0.58 0.00 2.45 7.50 -0.65 -2.27 115.11 123.37 1n4p h GLN 359 Ca 0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 59.02 1n4p h GLN 359 Cb 0.94 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.40 1n4p h GLN 359 CO 0.09 0.66 -0.12 0.66 -1.50 0.00 0.00 178.83 178.62 1n4p h SER 360 N 0.41 0.00 0.09 1.46 4.64 -1.14 -2.06 113.55 116.95 1n4p h SER 360 Ca 0.10 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.18 1n4p h SER 360 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1n4p h SER 360 CO 0.01 0.12 -0.94 -0.50 -0.87 0.00 0.00 176.83 174.65 1n4p h TRP 361 N 0.00 0.89 -0.04 4.77 6.55 -1.21 -3.17 115.95 123.74 1n4p h TRP 361 Ca -0.00 -0.46 0.01 0.00 0.95 0.00 0.00 58.89 59.39 1n4p h TRP 361 Cb 0.22 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1n4p h TRP 361 CO 0.00 1.29 0.07 0.87 -1.05 0.00 0.00 178.44 179.61 1n4p h LYS 362 N 0.37 0.00 -0.01 0.49 6.56 -0.78 -3.52 116.57 119.68 1n4p h LYS 362 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1n4p h LYS 362 Cb 1.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.24 1n4p h LYS 362 CO 0.18 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.82