#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 4.59 -0.55 -1.43 3.84 -1.26 -5.08 116.67 116.77 1n4p s ASP 19 Ca 0.00 -0.60 -0.24 0.00 -0.00 0.00 0.00 52.55 51.71 1n4p s ASP 19 Cb 0.00 -0.88 0.04 0.00 -1.38 0.00 0.00 42.92 40.71 1n4p s ASP 19 CO 0.00 0.01 0.93 0.12 -0.00 0.00 0.00 175.17 176.23 1n4p s PHE 20 N -2.23 2.80 -1.10 2.11 5.36 -1.26 -4.96 117.98 118.70 1n4p s PHE 20 Ca 0.31 -0.04 -0.12 0.00 -0.96 0.00 0.00 56.93 56.12 1n4p s PHE 20 Cb -0.07 -4.06 -0.07 0.00 -0.34 0.00 0.00 43.02 38.48 1n4p s PHE 20 CO 0.20 -1.35 2.25 1.28 -1.46 0.00 0.00 175.22 176.14 1n4p n LEU 21 N 7.42 5.77 -0.25 6.12 4.32 -1.26 -4.79 117.00 134.33 1n4p n LEU 21 Ca 0.01 -3.36 0.03 0.00 -0.02 0.00 0.00 56.01 52.67 1n4p n LEU 21 Cb 0.47 -1.27 0.12 0.00 -1.62 0.00 0.00 43.42 41.12 1n4p n LEU 21 CO 0.63 0.74 0.77 -0.09 -1.22 0.00 0.00 177.39 178.22 1n4p h ARG 22 N 6.39 0.04 -0.66 3.23 2.43 -1.98 -1.38 114.38 122.45 1n4p h ARG 22 Ca 0.56 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.69 1n4p h ARG 22 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1n4p h ARG 22 CO 1.70 0.03 0.23 -0.44 -1.51 0.00 0.00 179.97 179.98 1n4p h ASP 23 N 0.04 0.92 -0.65 -3.80 3.32 -2.00 -2.05 116.42 112.21 1n4p h ASP 23 Ca 0.38 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1n4p h ASP 23 Cb 0.63 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1n4p h ASP 23 CO -0.71 0.85 0.40 -0.09 -1.72 0.00 0.00 179.24 177.97 1n4p h ARG 24 N 0.97 0.88 0.00 3.56 9.65 -1.67 -1.76 114.38 126.00 1n4p h ARG 24 Ca 0.22 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1n4p h ARG 24 Cb 0.24 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1n4p h ARG 24 CO -0.01 0.62 -0.28 0.45 2.80 0.00 0.00 179.97 183.55 1n4p h HIS 25 N 0.88 0.00 -0.30 2.20 3.86 -1.02 0.32 115.15 121.09 1n4p h HIS 25 Ca 0.23 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1n4p h HIS 25 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1n4p h HIS 25 CO -0.02 0.28 -0.27 0.28 0.86 0.00 0.00 177.93 179.06 1n4p h VAL 26 N 0.00 1.30 -0.58 2.45 2.07 -0.67 -1.68 116.25 119.14 1n4p h VAL 26 Ca -0.00 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1n4p h VAL 26 Cb 0.64 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1n4p h VAL 26 CO 0.04 0.46 0.14 0.03 0.02 0.00 0.00 177.57 178.26 1n4p h ARG 27 N 0.47 0.92 0.06 1.57 -0.00 -0.71 -2.06 114.38 114.63 1n4p h ARG 27 Ca 0.05 -0.22 0.02 0.00 -0.50 0.00 0.00 59.98 59.34 1n4p h ARG 27 Cb 0.84 -0.12 -0.04 0.00 0.00 0.00 0.00 29.97 30.65 1n4p h ARG 27 CO 0.07 0.85 -0.24 0.35 0.00 0.00 0.00 179.97 181.00 1n4p h PHE 28 N 0.83 -0.63 -0.52 3.04 3.57 -0.77 -0.79 116.94 121.67 1n4p h PHE 28 Ca 0.18 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1n4p h PHE 28 Cb 0.34 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1n4p h PHE 28 CO 0.02 -0.33 0.34 0.74 -2.23 0.00 0.00 178.31 176.86 1n4p h PHE 29 N -0.40 0.63 -0.31 0.41 0.05 -1.20 -1.87 116.94 114.25 1n4p h PHE 29 Ca 0.04 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.85 1n4p h PHE 29 Cb 0.45 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.18 1n4p h PHE 29 CO -0.25 0.39 0.20 1.96 -0.18 0.00 0.00 178.31 180.43 1n4p h GLN 30 N 0.67 0.42 -0.73 1.51 4.20 -0.57 -1.97 115.11 118.63 1n4p h GLN 30 Ca 0.20 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.97 1n4p h GLN 30 Cb -0.03 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.58 1n4p h GLN 30 CO -0.05 0.29 0.36 0.00 -0.67 0.00 0.00 178.83 178.77 1n4p h ARG 31 N 0.41 0.59 -0.50 1.46 3.08 -0.39 -1.86 114.38 117.17 1n4p h ARG 31 Ca 0.11 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1n4p h ARG 31 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1n4p h ARG 31 CO -0.02 0.39 0.33 0.00 -1.07 0.00 0.00 179.97 179.59 1n4p n LEU 33 N -4.47 0.55 0.00 0.00 7.99 -0.71 -4.76 117.00 115.59 1n4p n LEU 33 Ca 0.06 0.56 0.00 0.00 -0.01 0.00 0.00 56.01 56.62 1n4p n LEU 33 Cb 0.17 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1n4p n LEU 33 CO 0.35 -0.19 0.00 0.00 -1.51 0.00 0.00 177.39 176.04 1n4p n GLN 34 N -2.03 0.00 -4.87 3.23 6.02 -0.57 -5.07 117.38 114.10 1n4p n GLN 34 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 1n4p n GLN 34 Cb 0.37 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.49 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 1.03 2.75 0.05 5.09 1.01 -1.26 -5.13 120.40 123.95 1n4p s VAL 35 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1n4p s VAL 35 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1n4p s VAL 35 CO 0.00 0.48 -0.26 -0.76 0.00 0.00 0.00 175.10 174.56 1n4p s LEU 36 N -1.02 2.17 0.95 3.92 1.43 -1.26 -4.95 118.68 119.92 1n4p s LEU 36 Ca 0.13 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1n4p s LEU 36 Cb -0.10 -1.25 0.16 0.00 0.03 0.00 0.00 46.19 45.03 1n4p s LEU 36 CO 0.02 0.25 1.11 -2.84 0.23 0.00 0.00 176.35 175.12 1n4p s PRO 37 N -1.27 0.77 0.01 1.29 0.02 -1.26 -4.87 135.00 129.69 1n4p s PRO 37 Ca 0.11 1.31 0.07 0.00 0.02 0.00 0.00 61.00 62.51 1n4p s PRO 37 Cb -0.10 -1.72 0.31 0.00 0.02 0.00 0.00 34.50 33.02 1n4p s PRO 37 CO 0.02 -2.72 1.23 -1.91 -0.33 0.00 0.00 177.00 173.29 1n4p n GLU 38 N -4.28 0.00 0.26 5.54 2.13 -1.26 -2.13 120.64 120.91 1n4p n GLU 38 Ca 0.09 0.39 0.08 0.00 0.66 0.00 0.00 57.16 58.39 1n4p n GLU 38 Cb 0.53 -1.51 0.65 0.00 0.27 0.00 0.00 31.44 31.38 1n4p n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n4p h ARG 39 N 0.00 0.00 -0.66 5.31 3.08 -2.06 -2.13 114.38 117.92 1n4p h ARG 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n4p h ARG 39 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1n4p h ARG 39 CO 0.00 0.02 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 1n4p n TYR 40 N -4.44 1.10 -0.13 3.04 4.02 -0.91 -4.53 117.16 115.31 1n4p n TYR 40 Ca -0.03 -0.41 0.26 0.00 -0.01 0.00 0.00 57.90 57.71 1n4p n TYR 40 Cb 0.11 -0.26 0.71 0.00 -0.02 0.00 0.00 39.34 39.88 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 2.53 0.01 0.42 7.72 4.64 -1.58 -0.40 113.55 126.88 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 1.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1n4p h SER 41 CO 0.22 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.64 1n4p n SER 42 N -4.30 0.00 -0.65 4.97 3.41 -1.26 -1.85 113.62 113.93 1n4p n SER 42 Ca 0.16 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1n4p n SER 42 Cb 0.86 -0.43 0.37 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.43 2.04 -0.08 1.04 4.77 -0.16 -4.51 117.00 118.68 1n4p n LEU 43 Ca 0.05 -0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1n4p n LEU 43 Cb 0.15 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1n4p n LEU 43 CO 0.13 0.34 0.61 -0.08 -1.33 0.00 0.00 177.39 177.06 1n4p h GLU 44 N 3.18 -0.33 0.00 3.23 4.57 -1.52 -0.27 114.58 123.44 1n4p h GLU 44 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n4p h GLU 44 Cb 0.68 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1n4p h GLU 44 CO 0.00 -0.22 0.00 0.25 -1.18 0.00 0.00 179.01 177.86 1n4p n THR 45 N -5.42 0.00 -2.77 0.32 -2.24 -1.26 -2.82 114.28 100.10 1n4p n THR 45 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1n4p n THR 45 Cb 0.35 -0.58 0.05 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.84 1.30 0.09 3.42 3.41 -0.17 -4.08 113.62 116.76 1n4p n SER 46 Ca 0.08 -2.03 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 1n4p n SER 46 Cb 0.04 -0.38 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 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 2.24 0.31 -0.63 4.33 3.08 -1.15 -2.64 114.38 119.91 1n4p h ARG 47 Ca -0.17 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1n4p h ARG 47 Cb 1.38 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 1n4p h ARG 47 CO 0.14 0.45 0.37 1.25 -1.07 0.00 0.00 179.97 181.12 1n4p h LEU 48 N 0.29 0.76 -0.30 3.04 5.85 -1.56 0.32 115.31 123.72 1n4p h LEU 48 Ca 0.06 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1n4p h LEU 48 Cb 0.41 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1n4p h LEU 48 CO 0.02 0.59 -0.22 0.71 -0.34 0.00 0.00 178.44 179.20 1n4p h THR 49 N 0.87 0.41 -0.33 1.05 1.35 -1.77 -0.67 112.91 113.82 1n4p h THR 49 Ca 0.23 -1.44 -0.16 0.00 -0.55 0.00 0.00 66.41 64.49 1n4p h THR 49 Cb -0.02 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1n4p h THR 49 CO -0.04 0.22 -0.40 0.40 -0.25 0.00 0.00 175.52 175.45 1n4p h ILE 50 N 0.00 1.28 -0.50 6.82 1.08 -1.13 -1.68 117.51 123.38 1n4p h ILE 50 Ca -0.00 -1.58 0.01 0.00 -0.39 0.00 0.00 64.86 62.90 1n4p h ILE 50 Cb 1.07 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 1n4p h ILE 50 CO 0.03 0.52 0.32 0.00 -0.69 0.00 0.00 178.15 178.33 1n4p h ALA 51 N 0.72 0.63 -0.08 1.87 0.00 -0.64 -2.08 119.26 119.68 1n4p h ALA 51 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n4p h ALA 51 Cb 1.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1n4p h ALA 51 CO 0.10 0.05 -0.13 0.35 0.00 0.00 0.00 179.25 179.62 1n4p h PHE 52 N 0.65 -0.34 -0.98 0.00 3.57 -0.88 0.20 116.94 119.17 1n4p h PHE 52 Ca 0.19 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.80 1n4p h PHE 52 Cb -0.05 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 1n4p h PHE 52 CO -0.05 -0.20 0.62 0.74 -2.23 0.00 0.00 178.31 177.20 1n4p h PHE 53 N -0.19 1.11 -0.01 0.41 0.05 -0.99 0.18 116.94 117.50 1n4p h PHE 53 Ca 0.07 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.82 1n4p h PHE 53 Cb 0.29 -0.36 0.01 0.00 2.00 0.00 0.00 35.95 37.89 1n4p h PHE 53 CO -0.23 0.50 -0.28 0.00 -0.18 0.00 0.00 178.31 178.13 1n4p h ALA 54 N 1.52 0.05 -0.19 2.45 0.00 -0.77 -1.09 119.26 121.23 1n4p h ALA 54 Ca 0.46 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n4p h ALA 54 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n4p h ALA 54 CO -0.21 0.11 0.01 -0.07 0.00 0.00 0.00 179.25 179.09 1n4p h LEU 55 N -0.41 0.32 -1.15 0.00 3.38 -0.40 0.18 115.31 117.22 1n4p h LEU 55 Ca -0.03 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1n4p h LEU 55 Cb 1.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1n4p h LEU 55 CO 0.06 0.53 -0.24 -1.28 0.09 0.00 0.00 178.44 177.59 1n4p h SER 56 N 0.10 0.29 -0.30 -0.43 0.87 -0.77 0.15 113.55 113.46 1n4p h SER 56 Ca 0.06 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1n4p h SER 56 Cb 0.36 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1n4p h SER 56 CO 0.01 0.54 -0.02 1.23 -0.53 0.00 0.00 176.83 178.06 1n4p h GLY 57 N 0.97 0.59 0.96 5.77 0.00 -0.83 0.10 103.07 110.64 1n4p h GLY 57 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1n4p h GLY 57 CO 0.04 0.42 0.18 1.41 0.00 0.00 0.00 176.54 178.59 1n4p h LEU 58 N 0.33 0.65 -0.86 3.11 3.38 -0.26 -1.78 115.31 119.89 1n4p h LEU 58 Ca 0.08 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1n4p h LEU 58 Cb 0.48 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1n4p h LEU 58 CO 0.02 0.65 0.55 -0.78 0.09 0.00 0.00 178.44 178.97 1n4p h ASP 59 N 0.62 0.91 0.35 -0.43 -0.00 -0.53 0.31 116.42 117.65 1n4p h ASP 59 Ca 0.16 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.15 1n4p h ASP 59 Cb 0.20 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1n4p h ASP 59 CO -0.01 0.62 -0.14 -0.03 -0.00 0.00 0.00 179.24 179.68 1n4p h MET 60 N 1.07 0.00 -0.21 0.28 4.05 -0.33 -1.36 114.93 118.42 1n4p h MET 60 Ca 0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1n4p h MET 60 Cb 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1n4p h MET 60 CO -0.12 0.14 0.00 1.28 0.23 0.00 0.00 176.91 178.44 1n4p n LEU 61 N -3.74 3.18 -3.42 3.39 4.77 0.00 -1.46 117.00 119.73 1n4p n LEU 61 Ca -0.02 -1.26 -0.21 0.00 -0.03 0.00 0.00 56.01 54.49 1n4p n LEU 61 Cb 0.25 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1n4p n LEU 61 CO 0.31 0.62 0.01 -0.67 -1.33 0.00 0.00 177.39 176.33 1n4p n ASP 62 N 1.38 -6.19 -0.99 -1.43 2.03 0.88 -4.94 116.55 107.29 1n4p n ASP 62 Ca 0.16 -0.80 0.02 0.00 0.52 0.00 0.00 54.79 54.69 1n4p n ASP 62 Cb 0.59 -4.44 0.01 0.00 -0.72 0.00 0.00 41.12 36.55 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 -2.91 0.42 0.26 1.67 7.64 -0.49 -4.87 113.62 115.34 1n4p n SER 63 Ca -0.08 -1.96 0.18 0.00 1.01 0.00 0.00 58.87 58.02 1n4p n SER 63 Cb 0.60 -0.22 0.92 0.00 -1.01 0.00 0.00 64.21 64.50 1n4p n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1n4p h LEU 64 N 0.47 0.00 -2.17 -3.43 3.38 -1.92 -2.00 115.31 109.64 1n4p h LEU 64 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1n4p h LEU 64 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1n4p h LEU 64 CO 0.03 0.00 -0.05 -2.24 0.09 0.00 0.00 178.44 176.28 1n4p h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.96 -2.57 116.42 113.49 1n4p h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n4p h ASP 65 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1n4p h ASP 65 CO 0.00 0.05 0.00 1.33 -1.03 0.00 0.00 179.24 179.59 1n4p n VAL 66 N -3.34 0.00 -4.19 4.15 0.24 -0.75 -4.76 118.33 109.68 1n4p n VAL 66 Ca -0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1n4p n VAL 66 Cb 0.19 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.00 0.92 -1.03 3.34 -7.23 -0.97 -5.08 120.40 108.35 1n4p s VAL 67 Ca 0.14 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.32 1n4p s VAL 67 Cb 0.07 -1.56 0.13 0.00 0.56 0.00 0.00 36.38 35.58 1n4p s VAL 67 CO 0.11 -0.69 1.26 0.21 -0.31 0.00 0.00 175.10 175.68 1n4p s ASN 68 N -2.78 6.75 0.29 4.85 3.84 -1.26 -4.89 114.94 121.73 1n4p s ASN 68 Ca 0.10 -2.27 0.01 0.00 0.21 0.00 0.00 52.86 50.91 1n4p s ASN 68 Cb 0.01 -2.42 0.68 0.00 -0.55 0.00 0.00 41.25 38.97 1n4p s ASN 68 CO -0.01 -1.02 1.62 0.11 -2.79 0.00 0.00 177.10 175.01 1n4p h LYS 69 N 8.41 0.11 -0.58 0.43 1.57 -1.94 -0.76 116.57 123.82 1n4p h LYS 69 Ca 0.22 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1n4p h LYS 69 Cb 0.98 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1n4p h LYS 69 CO 1.19 0.08 0.38 -0.44 -0.57 0.00 0.00 179.45 180.08 1n4p h ASP 70 N 0.12 0.66 -0.10 0.86 3.32 -1.92 0.30 116.42 119.66 1n4p h ASP 70 Ca 0.54 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 1n4p h ASP 70 Cb 1.10 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1n4p h ASP 70 CO -0.74 0.48 0.06 0.44 -1.72 0.00 0.00 179.24 177.76 1n4p h ASP 71 N 0.78 0.12 -0.63 6.45 3.32 -1.57 -2.44 116.42 122.46 1n4p h ASP 71 Ca 0.21 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1n4p h ASP 71 Cb -0.09 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1n4p h ASP 71 CO -0.05 0.14 0.33 0.40 -1.72 0.00 0.00 179.24 178.34 1n4p h ILE 72 N 0.09 1.21 -0.78 0.35 2.04 -1.22 -1.82 117.51 117.38 1n4p h ILE 72 Ca 0.04 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1n4p h ILE 72 Cb 0.04 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1n4p h ILE 72 CO -0.01 0.23 0.52 0.40 0.00 0.00 0.00 178.15 179.29 1n4p h ILE 73 N 0.86 1.09 -0.30 -0.67 2.04 -0.79 0.44 117.51 120.17 1n4p h ILE 73 Ca 0.22 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 1n4p h ILE 73 Cb 0.07 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1n4p h ILE 73 CO -0.03 0.17 -0.46 -0.33 0.00 0.00 0.00 178.15 177.49 1n4p h GLU 74 N 0.91 0.79 -0.22 2.37 4.39 -0.95 -1.71 114.58 120.17 1n4p h GLU 74 Ca 0.32 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1n4p h GLU 74 Cb 0.13 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1n4p h GLU 74 CO -0.10 1.08 0.11 2.35 -1.16 0.00 0.00 179.01 181.29 1n4p h TRP 75 N 0.63 0.31 -0.24 4.33 7.01 -0.46 -1.64 115.95 125.89 1n4p h TRP 75 Ca 0.04 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.05 1n4p h TRP 75 Cb 1.04 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 1n4p h TRP 75 CO 0.06 0.29 0.08 0.82 -2.79 0.00 0.00 178.44 176.89 1n4p h ILE 76 N 0.24 0.93 0.00 2.65 2.04 -0.88 -1.77 117.51 120.72 1n4p h ILE 76 Ca 0.08 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1n4p h ILE 76 Cb 0.09 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1n4p h ILE 76 CO -0.01 0.03 -0.03 1.88 0.00 0.00 0.00 178.15 180.02 1n4p h TYR 77 N 0.19 0.00 0.00 1.37 0.05 -1.05 0.76 116.97 118.29 1n4p h TYR 77 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1n4p h TYR 77 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1n4p h TYR 77 CO -0.13 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 175.88 1n4p n SER 78 N -3.34 0.22 -0.19 3.88 3.41 -0.64 -2.57 113.62 114.38 1n4p n SER 78 Ca -0.02 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1n4p n SER 78 Cb 0.16 -0.59 0.21 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.72 1.07 -4.71 1.04 4.77 0.26 -4.63 117.00 113.07 1n4p n LEU 79 Ca 0.05 -0.32 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 1n4p n LEU 79 Cb 0.28 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1n4p n LEU 79 CO 0.22 0.22 0.85 -1.58 -1.33 0.00 0.00 177.39 175.76 1n4p s GLN 80 N -2.70 4.46 -0.57 3.23 0.74 -1.06 -0.26 119.66 123.50 1n4p s GLN 80 Ca 0.18 1.71 -0.21 0.00 0.05 0.00 0.00 55.36 57.08 1n4p s GLN 80 Cb 0.18 -3.36 0.06 0.00 1.10 0.00 0.00 33.01 30.99 1n4p s GLN 80 CO 0.62 -0.20 0.80 0.08 -0.55 0.00 0.00 175.29 176.04 1n4p s VAL 81 N 0.98 4.61 0.32 1.34 1.01 0.11 -4.90 120.40 123.87 1n4p s VAL 81 Ca 0.57 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1n4p s VAL 81 Cb -0.28 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.56 1n4p s VAL 81 CO 0.29 -1.09 0.63 -0.76 0.00 0.00 0.00 175.10 174.18 1n4p s LEU 82 N 3.33 3.99 0.48 3.92 1.43 -1.26 -3.09 118.68 127.47 1n4p s LEU 82 Ca 0.20 0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 1n4p s LEU 82 Cb -0.18 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 1n4p s LEU 82 CO 0.13 -0.25 1.19 -2.16 0.23 0.00 0.00 176.35 175.48 1n4p s PRO 83 N -3.56 3.65 0.95 1.29 0.04 -1.26 -4.24 135.00 131.87 1n4p s PRO 83 Ca 0.47 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 1n4p s PRO 83 Cb -0.11 -2.36 0.16 0.00 0.04 0.00 0.00 34.50 32.24 1n4p s PRO 83 CO 0.29 -0.65 1.15 0.95 0.04 0.00 0.00 177.00 178.78 1n4p s THR 84 N -1.53 1.95 0.19 1.26 -4.23 -1.26 -2.55 115.64 109.47 1n4p s THR 84 Ca 0.65 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.02 1n4p s THR 84 Cb -0.30 -2.73 0.18 0.00 1.34 0.00 0.00 72.50 70.98 1n4p s THR 84 CO 0.36 0.00 1.65 1.05 -0.54 0.00 0.00 174.62 177.13 1n4p h GLU 85 N -1.65 0.01 0.00 3.99 9.09 -1.96 0.29 114.58 124.35 1n4p h GLU 85 Ca -0.49 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1n4p h GLU 85 Cb 1.32 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1n4p h GLU 85 CO 0.56 0.01 0.00 -0.40 0.05 0.00 0.00 179.01 179.23 1n4p n ASP 86 N -5.37 0.00 -4.32 3.06 3.85 -1.26 -4.90 116.55 107.61 1n4p n ASP 86 Ca 0.06 -1.41 -0.35 0.00 -0.71 0.00 0.00 54.79 52.37 1n4p n ASP 86 Cb 0.29 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.99 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 -0.75 -1.67 -0.25 0.11 1.74 0.10 -4.83 116.66 111.11 1n4p n ARG 87 Ca 0.11 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1n4p n ARG 87 Cb 0.05 -4.42 0.26 0.00 -1.02 0.00 0.00 32.46 27.34 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 -2.71 3.52 -0.81 0.55 3.41 -1.26 -4.26 113.62 112.06 1n4p n SER 88 Ca -0.09 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.59 1n4p n SER 88 Cb 0.57 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.48 1.54 -0.36 4.04 6.94 -1.26 -4.82 115.26 122.82 1n4p n ASN 89 Ca 0.21 -3.40 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 1n4p n ASN 89 Cb 0.59 -0.47 0.14 0.00 -2.36 0.00 0.00 39.78 37.68 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 0.96 1.05 0.00 -4.53 3.38 -1.95 -1.60 115.31 112.62 1n4p h LEU 90 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n4p h LEU 90 Cb 1.23 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1n4p h LEU 90 CO 0.02 0.71 0.00 0.47 0.09 0.00 0.00 178.44 179.73 1n4p n ASP 91 N -4.48 0.00 -0.06 -0.43 8.00 -1.26 -2.22 116.55 116.11 1n4p n ASP 91 Ca 0.13 -0.24 0.02 0.00 0.71 0.00 0.00 54.79 55.42 1n4p n ASP 91 Cb 0.11 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1n4p n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4p n ARG 92 N -0.99 1.77 -2.38 -1.24 1.74 -0.61 -4.65 116.66 110.30 1n4p n ARG 92 Ca 0.06 -1.50 -0.30 0.00 -0.77 0.00 0.00 57.85 55.34 1n4p n ARG 92 Cb 0.03 -0.97 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.11 3.26 0.00 0.00 -1.18 -4.43 105.19 100.76 1n4p n GLY 94 Ca 0.04 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.00 1.64 0.34 1.61 0.40 -1.26 0.08 117.98 116.79 1n4p s PHE 95 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1n4p s PHE 95 Cb 0.00 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 1n4p s PHE 95 CO 0.00 0.17 0.56 1.03 0.70 0.00 0.00 175.22 177.68 1n4p s ARG 96 N -1.88 3.52 0.36 0.44 0.52 0.64 -1.02 118.95 121.53 1n4p s ARG 96 Ca 0.04 -0.21 0.19 0.00 -0.52 0.00 0.00 55.73 55.23 1n4p s ARG 96 Cb -0.10 -2.64 0.27 0.00 0.52 0.00 0.00 34.95 33.00 1n4p s ARG 96 CO 0.04 0.14 1.55 0.78 0.02 0.00 0.00 175.30 177.83 1n4p h GLY 97 N 0.96 0.00 0.00 -3.53 0.00 -1.89 -3.46 103.07 95.15 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 -3.19 0.00 -1.64 0.19 3.41 -1.26 -1.44 113.62 109.70 1n4p n SER 98 Ca 0.03 -0.81 0.05 0.00 -0.26 0.00 0.00 58.87 57.88 1n4p n SER 98 Cb 0.62 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.41 5.04 0.14 4.04 3.41 -1.26 -4.70 113.62 119.88 1n4p n SER 99 Ca 0.00 -3.03 0.06 0.00 -0.26 0.00 0.00 58.87 55.64 1n4p n SER 99 Cb 0.00 -0.66 0.34 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.15 0.43 0.64 7.33 4.11 -1.26 -1.36 117.16 127.19 1n4p n TYR 100 Ca 0.29 0.22 0.13 0.00 -0.00 0.00 0.00 57.90 58.54 1n4p n TYR 100 Cb 1.15 -0.69 0.37 0.00 -0.00 0.00 0.00 39.34 40.17 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 -1.98 0.75 0.00 -3.48 4.77 -1.26 -4.93 117.00 110.87 1n4p n LEU 101 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1n4p n LEU 101 Cb 0.25 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1n4p n LEU 101 CO 0.06 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1n4p n GLY 102 N 1.33 0.62 3.73 -0.72 0.00 -0.46 -5.03 105.19 104.66 1n4p n GLY 102 Ca 0.05 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 3.51 0.27 -0.61 1.01 -1.26 -4.95 121.20 117.17 1n4p s ILE 103 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1n4p s ILE 103 Cb 0.00 -3.79 -0.13 0.00 0.01 0.00 0.00 42.46 38.55 1n4p s ILE 103 CO 0.00 0.18 1.37 -0.81 0.00 0.00 0.00 174.94 175.68 1n4p n PRO 104 N 2.72 2.07 -1.61 2.79 -0.04 -1.26 -4.87 135.00 134.80 1n4p n PRO 104 Ca 0.05 0.73 -0.51 0.00 -0.04 0.00 0.00 63.50 63.74 1n4p n PRO 104 Cb 0.44 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.43 1.72 -3.18 0.54 7.35 -1.26 -4.96 117.46 119.09 1n4p n PHE 105 Ca 0.09 0.54 0.02 0.00 -0.76 0.00 0.00 57.45 57.34 1n4p n PHE 105 Cb 0.33 -2.39 -0.01 0.00 0.35 0.00 0.00 39.48 37.76 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 0.65 -1.54 -0.38 -2.13 2.47 -1.26 -5.06 114.94 107.68 1n4p s ASN 106 Ca 0.83 -0.48 -0.12 0.00 0.42 0.00 0.00 52.86 53.51 1n4p s ASN 106 Cb -0.88 1.95 -0.12 0.00 -1.45 0.00 0.00 41.25 40.75 1n4p s ASN 106 CO 0.45 -0.20 1.59 -0.81 -3.72 0.00 0.00 177.10 174.40 1n4p n PRO 107 N 4.70 0.83 -4.01 0.43 -0.04 -1.26 -4.15 135.00 131.50 1n4p n PRO 107 Ca 0.09 -1.11 -0.27 0.00 -0.04 0.00 0.00 63.50 62.18 1n4p n PRO 107 Cb 0.56 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 6.09 -0.59 0.00 3.54 7.64 -1.09 -4.75 113.62 124.47 1n4p n SER 108 Ca 0.31 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1n4p n SER 108 Cb 0.20 -2.93 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 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 -0.81 1.43 5.02 -1.26 -5.03 118.16 113.09 1n4p n LYS 109 Ca -0.27 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.74 1n4p n LYS 109 Cb 0.66 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.90 1n4p n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1n4p s ASN 110 N -0.90 1.34 1.21 4.39 6.03 -1.26 -5.02 114.94 120.73 1n4p s ASN 110 Ca 0.00 1.25 -0.18 0.00 -1.03 0.00 0.00 52.86 52.90 1n4p s ASN 110 Cb 0.00 -1.93 0.26 0.00 -3.03 0.00 0.00 41.25 36.55 1n4p s ASN 110 CO 0.00 -3.94 0.95 -0.81 -2.03 0.00 0.00 177.10 171.27 1n4p n PRO 111 N -4.71 -2.78 -2.45 3.55 -0.04 -1.26 -4.98 135.00 122.32 1n4p n PRO 111 Ca 0.05 -1.52 -0.40 0.00 -0.04 0.00 0.00 63.50 61.59 1n4p n PRO 111 Cb 0.56 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.25 3.02 -0.45 0.55 0.00 -1.06 -5.01 107.32 100.12 1n4p s GLY 112 Ca 0.61 0.91 -0.15 0.00 0.00 0.00 0.00 44.72 46.10 1n4p s GLY 112 CO 0.47 1.56 0.36 -0.51 0.00 0.00 0.00 173.10 174.98 1n4p s THR 113 N -1.00 5.10 0.19 0.90 -4.23 -1.26 -4.39 115.64 110.94 1n4p s THR 113 Ca 0.46 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.64 1n4p s THR 113 Cb -0.32 -4.02 -0.17 0.00 1.34 0.00 0.00 72.50 69.33 1n4p s THR 113 CO 0.41 -0.52 0.57 0.00 -0.54 0.00 0.00 174.62 174.53 1n4p n ALA 114 N 5.16 -2.91 -3.66 3.99 0.00 -1.26 -5.00 120.51 116.83 1n4p n ALA 114 Ca -0.12 0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 1n4p n ALA 114 Cb 0.44 -1.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.92 -1.01 0.40 0.00 5.04 -1.26 -5.07 115.29 112.47 1n4p s HIS 115 Ca 0.66 1.92 0.22 0.00 -1.54 0.00 0.00 55.06 56.32 1n4p s HIS 115 Cb -0.95 0.56 1.22 0.00 0.04 0.00 0.00 32.58 33.44 1n4p s HIS 115 CO 0.56 -0.53 1.69 -1.35 -2.34 0.00 0.00 174.74 172.77 1n4p h PRO 116 N 7.54 0.25 0.00 2.88 0.11 -2.05 -2.81 132.00 137.93 1n4p h PRO 116 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n4p h PRO 116 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n4p h PRO 116 CO 0.16 0.17 -0.04 0.66 -0.21 0.00 0.00 178.00 178.74 1n4p n TYR 117 N -4.77 0.00 -3.25 0.65 4.01 -1.26 -5.02 117.16 107.52 1n4p n TYR 117 Ca 0.32 -0.76 -0.39 0.00 -0.16 0.00 0.00 57.90 56.91 1n4p n TYR 117 Cb 1.12 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.97 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 -2.16 6.66 0.24 7.72 2.15 -1.06 -5.03 116.67 125.19 1n4p s ASP 118 Ca 0.20 0.79 -0.22 0.00 0.43 0.00 0.00 52.55 53.75 1n4p s ASP 118 Cb 0.18 -2.30 0.03 0.00 -0.30 0.00 0.00 42.92 40.52 1n4p s ASP 118 CO 0.02 -0.11 0.79 -0.94 -0.17 0.00 0.00 175.17 174.76 1n4p s SER 119 N 0.91 -0.24 0.81 -0.34 1.04 -1.26 -4.91 113.70 109.72 1n4p s SER 119 Ca 0.26 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.05 1n4p s SER 119 Cb -0.15 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.75 1n4p s SER 119 CO 0.11 -1.22 1.15 -0.83 0.98 0.00 0.00 173.24 173.42 1n4p s GLY 120 N -2.93 1.71 -0.08 7.32 0.00 -0.64 -4.62 107.32 108.09 1n4p s GLY 120 Ca 0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 1n4p s GLY 120 CO 0.06 -0.51 -0.03 -1.58 0.00 0.00 0.00 173.10 171.04 1n4p s HIS 121 N -3.51 0.88 0.33 1.90 5.04 -0.19 -4.58 115.29 115.16 1n4p s HIS 121 Ca 0.66 -0.31 0.12 0.00 -1.54 0.00 0.00 55.06 53.99 1n4p s HIS 121 Cb -0.08 -0.88 1.00 0.00 0.04 0.00 0.00 32.58 32.66 1n4p s HIS 121 CO 0.48 -0.35 1.69 0.97 -2.34 0.00 0.00 174.74 175.19 1n4p h ILE 122 N 6.25 0.39 0.00 0.89 2.10 -1.01 0.47 117.51 126.60 1n4p h ILE 122 Ca -0.25 -0.14 -0.06 0.00 1.08 0.00 0.00 64.86 65.49 1n4p h ILE 122 Cb 1.13 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 1n4p h ILE 122 CO 0.33 0.08 -0.26 0.00 -1.08 0.00 0.00 178.15 177.22 1n4p h ALA 123 N 1.80 1.00 0.14 0.18 0.00 -1.94 -1.87 119.26 118.58 1n4p h ALA 123 Ca 0.69 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 55.05 1n4p h ALA 123 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1n4p h ALA 123 CO -0.56 0.33 -1.55 0.52 0.00 0.00 0.00 179.25 177.99 1n4p h MET 124 N 0.00 0.30 -0.66 0.00 2.86 -0.45 -2.06 114.93 114.92 1n4p h MET 124 Ca -0.00 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.08 1n4p h MET 124 Cb 0.81 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 1n4p h MET 124 CO 0.03 1.19 0.27 1.15 1.06 0.00 0.00 176.91 180.61 1n4p h THR 125 N 0.08 1.24 0.67 2.22 2.02 -0.78 0.41 112.91 118.77 1n4p h THR 125 Ca -0.25 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1n4p h THR 125 Cb 2.04 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1n4p h THR 125 CO 0.18 0.29 -0.32 0.22 0.37 0.00 0.00 175.52 176.26 1n4p h TYR 126 N 0.93 -0.84 -0.00 3.16 3.20 -1.40 -1.80 116.97 120.21 1n4p h TYR 126 Ca 0.22 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1n4p h TYR 126 Cb 0.20 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1n4p h TYR 126 CO 0.01 -0.49 -0.21 1.79 -1.64 0.00 0.00 178.16 177.62 1n4p h THR 127 N -1.08 1.15 0.71 1.81 1.35 -1.31 -1.16 112.91 114.39 1n4p h THR 127 Ca -0.09 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 1n4p h THR 127 Cb 0.73 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1n4p h THR 127 CO 0.15 0.21 -0.34 1.23 -0.25 0.00 0.00 175.52 176.52 1n4p h GLY 128 N 0.65 -1.00 0.70 5.82 0.00 -0.10 0.18 103.07 109.32 1n4p h GLY 128 Ca -0.00 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1n4p h GLY 128 CO 0.03 -0.36 0.34 1.41 0.00 0.00 0.00 176.54 177.96 1n4p h LEU 129 N -1.10 0.51 -0.69 3.11 3.38 -1.22 -0.61 115.31 118.69 1n4p h LEU 129 Ca -0.10 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1n4p h LEU 129 Cb 0.76 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1n4p h LEU 129 CO 0.16 0.33 0.40 -1.28 0.09 0.00 0.00 178.44 178.14 1n4p h SER 130 N 0.64 0.60 -0.41 -0.43 0.87 -1.11 -1.62 113.55 112.08 1n4p h SER 130 Ca 0.28 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1n4p h SER 130 Cb 0.16 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1n4p h SER 130 CO -0.17 0.39 0.09 0.00 -0.53 0.00 0.00 176.83 176.60 1n4p h LEU 132 N 0.53 0.14 -0.50 0.00 3.38 -0.61 -0.29 115.31 117.96 1n4p h LEU 132 Ca 0.13 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1n4p h LEU 132 Cb 0.34 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1n4p h LEU 132 CO 0.00 0.11 0.30 0.40 0.09 0.00 0.00 178.44 179.35 1n4p h ILE 133 N 0.31 1.15 -0.88 1.22 2.04 -1.17 -1.61 117.51 118.57 1n4p h ILE 133 Ca 0.21 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1n4p h ILE 133 Cb 0.21 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1n4p h ILE 133 CO -0.22 0.16 0.58 0.40 0.00 0.00 0.00 178.15 179.07 1n4p h ILE 134 N 0.67 1.21 0.00 -0.67 2.04 -0.71 -1.62 117.51 118.43 1n4p h ILE 134 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1n4p h ILE 134 Cb -0.01 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1n4p h ILE 134 CO -0.03 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.51 1n4p n LEU 135 N -4.41 0.00 0.00 1.44 4.77 -0.18 -4.90 117.00 113.72 1n4p n LEU 135 Ca 0.10 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1n4p n LEU 135 Cb 0.04 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1n4p n LEU 135 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1n4p n GLY 136 N 0.92 0.77 3.69 -0.72 0.00 -0.61 -4.94 105.19 104.29 1n4p n GLY 136 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.76 3.22 0.00 1.61 -1.08 -0.65 -4.94 116.67 112.07 1n4p s ASP 137 Ca 0.00 2.24 0.20 0.00 -0.52 0.00 0.00 52.55 54.46 1n4p s ASP 137 Cb 0.00 -2.57 0.30 0.00 -1.46 0.00 0.00 42.92 39.19 1n4p s ASP 137 CO 0.00 -2.91 1.25 -0.90 0.52 0.00 0.00 175.17 173.13 1n4p n ASP 138 N -3.88 3.03 -0.37 -0.34 5.68 -1.26 -4.51 116.55 114.90 1n4p n ASP 138 Ca 0.12 -1.89 -0.05 0.00 -0.50 0.00 0.00 54.79 52.47 1n4p n ASP 138 Cb 0.52 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.32 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 1.19 0.02 0.24 -2.12 4.32 -1.26 -4.88 117.00 114.51 1n4p n LEU 139 Ca 0.15 0.12 0.08 0.00 -0.02 0.00 0.00 56.01 56.34 1n4p n LEU 139 Cb 0.52 -1.79 0.58 0.00 -1.62 0.00 0.00 43.42 41.11 1n4p n LEU 139 CO 0.13 -0.63 0.94 0.77 -1.22 0.00 0.00 177.39 177.38 1n4p h SER 140 N 0.00 0.00 -0.08 -1.43 4.64 -2.02 -1.75 113.55 112.90 1n4p h SER 140 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1n4p h SER 140 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1n4p h SER 140 CO 0.15 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.79 1n4p n ARG 141 N -4.17 1.53 -3.18 4.77 1.74 -1.26 -4.81 116.66 111.29 1n4p n ARG 141 Ca -0.02 -0.78 -0.40 0.00 -0.77 0.00 0.00 57.85 55.88 1n4p n ARG 141 Cb 0.22 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.90 5.06 -1.24 1.55 1.01 -0.66 -4.97 120.40 119.24 1n4p s VAL 142 Ca 0.35 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 1n4p s VAL 142 Cb 0.18 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1n4p s VAL 142 CO 0.29 0.14 1.76 -0.62 0.00 0.00 0.00 175.10 176.66 1n4p s ASP 143 N 1.19 6.41 0.23 3.32 -1.08 -1.26 -4.81 116.67 120.66 1n4p s ASP 143 Ca 0.27 -2.16 -0.07 0.00 -0.52 0.00 0.00 52.55 50.06 1n4p s ASP 143 Cb -0.16 -2.58 0.38 0.00 -1.46 0.00 0.00 42.92 39.10 1n4p s ASP 143 CO 0.10 -1.62 1.69 0.11 0.52 0.00 0.00 175.17 175.96 1n4p h LYS 144 N 8.29 0.23 -0.30 4.34 1.57 -1.93 -0.99 116.57 127.78 1n4p h LYS 144 Ca 0.37 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1n4p h LYS 144 Cb 0.90 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1n4p h LYS 144 CO 1.40 0.15 0.02 0.93 -0.57 0.00 0.00 179.45 181.39 1n4p h GLU 145 N 0.24 0.46 -0.29 3.15 4.39 -1.99 -1.46 114.58 119.08 1n4p h GLU 145 Ca 0.37 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 1n4p h GLU 145 Cb 0.60 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1n4p h GLU 145 CO -0.48 0.47 -0.25 0.00 -1.16 0.00 0.00 179.01 177.59 1n4p h ALA 146 N 1.58 0.42 -0.51 3.43 0.00 -1.59 -1.01 119.26 121.58 1n4p h ALA 146 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1n4p h ALA 146 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n4p h ALA 146 CO 0.01 0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.93 1n4p h LEU 148 N 0.67 0.62 -0.44 0.00 3.38 -1.22 0.14 115.31 118.47 1n4p h LEU 148 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 148 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1n4p h LEU 148 CO -0.03 0.72 0.08 0.00 0.09 0.00 0.00 178.44 179.30 1n4p h ALA 149 N 1.35 0.58 -0.61 1.53 0.00 -0.68 -1.15 119.26 120.28 1n4p h ALA 149 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1n4p h ALA 149 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n4p h ALA 149 CO 0.02 0.29 0.10 0.78 0.00 0.00 0.00 179.25 180.45 1n4p h GLY 150 N 0.58 1.06 0.96 0.00 0.00 -0.32 -2.66 103.07 102.69 1n4p h GLY 150 Ca 0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1n4p h GLY 150 CO 0.01 0.63 -0.19 -2.00 0.00 0.00 0.00 176.54 174.99 1n4p h LEU 151 N 0.93 -0.46 -0.90 3.11 6.46 -0.42 -2.75 115.31 121.29 1n4p h LEU 151 Ca 0.19 -0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.12 1n4p h LEU 151 Cb 0.40 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.34 1n4p h LEU 151 CO 0.01 -0.29 0.46 0.03 -0.62 0.00 0.00 178.44 178.03 1n4p h ARG 152 N -0.59 0.55 0.00 1.25 3.08 -0.85 0.20 114.38 118.02 1n4p h ARG 152 Ca -0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n4p h ARG 152 Cb 0.44 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1n4p h ARG 152 CO 0.09 0.37 -0.01 0.00 -1.07 0.00 0.00 179.97 179.35 1n4p h ALA 153 N 1.63 1.13 0.00 0.04 0.00 -1.18 -2.41 119.26 118.48 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 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1n4p h ALA 153 CO -0.43 0.01 -0.50 -0.07 0.00 0.00 0.00 179.25 178.27 1n4p h LEU 154 N 0.00 0.00 -9.59 0.00 3.38 -0.45 -3.47 115.31 105.19 1n4p h LEU 154 Ca -0.00 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 1n4p h LEU 154 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n4p h LEU 154 CO 0.00 0.03 0.50 -1.58 0.09 0.00 0.00 178.44 177.49 1n4p s GLN 155 N -3.23 4.53 0.63 1.13 0.74 -0.91 -1.73 119.66 120.82 1n4p s GLN 155 Ca 0.05 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.20 1n4p s GLN 155 Cb 0.10 -3.31 0.08 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 155 CO 0.71 -0.05 0.87 -0.51 -0.55 0.00 0.00 175.29 175.76 1n4p s LEU 156 N 0.17 3.13 0.21 3.68 1.43 0.52 -4.98 118.68 122.84 1n4p s LEU 156 Ca 0.53 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1n4p s LEU 156 Cb -0.29 -2.41 0.27 0.00 0.03 0.00 0.00 46.19 43.78 1n4p s LEU 156 CO 0.33 -1.47 1.80 1.05 0.23 0.00 0.00 176.35 178.28 1n4p h GLU 157 N -0.19 0.63 0.00 1.70 4.11 -1.96 -1.43 114.58 117.44 1n4p h GLU 157 Ca -0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1n4p h GLU 157 Cb 1.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1n4p h GLU 157 CO 0.46 0.42 0.00 -0.40 0.07 0.00 0.00 179.01 179.56 1n4p n ASP 158 N -4.82 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.52 1n4p n ASP 158 Ca 0.09 -0.49 0.00 0.00 -0.71 0.00 0.00 54.79 53.68 1n4p n ASP 158 Cb 0.20 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 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 0.20 3.27 3.94 6.12 0.00 -0.54 -4.06 105.19 114.13 1n4p n GLY 159 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.07 2.98 0.18 1.61 1.04 -1.26 -3.98 113.70 113.20 1n4p s SER 160 Ca 0.00 0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.61 1n4p s SER 160 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1n4p s SER 160 CO 0.00 -2.80 -0.17 -0.36 0.98 0.00 0.00 173.24 170.89 1n4p s PHE 161 N -3.87 1.79 0.40 5.02 0.40 -1.26 -0.36 117.98 120.10 1n4p s PHE 161 Ca 0.76 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 56.67 1n4p s PHE 161 Cb -0.03 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 1n4p s PHE 161 CO 0.53 0.35 0.50 0.00 0.70 0.00 0.00 175.22 177.30 1n4p n ALA 163 N -1.73 1.10 -2.78 0.00 0.00 -1.26 -4.74 120.51 111.10 1n4p n ALA 163 Ca 0.05 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 1n4p n ALA 163 Cb 0.60 -0.73 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 0.72 0.57 0.00 -7.23 -1.26 -0.39 120.40 110.22 1n4p s VAL 164 Ca -0.16 -0.99 0.25 0.00 -1.81 0.00 0.00 61.98 59.27 1n4p s VAL 164 Cb 0.07 -0.72 0.34 0.00 0.56 0.00 0.00 36.38 36.63 1n4p s VAL 164 CO 0.79 -0.22 2.16 1.55 -0.31 0.00 0.00 175.10 179.07 1n4p h PRO 165 N 4.75 0.00 0.00 4.82 0.13 -1.86 -0.68 132.00 139.16 1n4p h PRO 165 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.42 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 1n4p h GLU 166 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.48 114.58 113.07 1n4p h GLU 166 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1n4p h GLU 166 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1n4p h GLU 166 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1n4p n GLY 167 N -0.28 2.84 0.73 -3.84 0.00 -0.26 -5.17 105.19 99.21 1n4p n GLY 167 Ca 0.01 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.29 -4.79 1.61 3.41 -1.26 -4.74 113.62 107.57 1n4p n SER 168 Ca 0.00 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.17 1n4p n SER 168 Cb 0.00 0.46 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.01 2.82 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.71 1n4p s GLU 169 Ca 0.05 1.23 0.02 0.00 0.03 0.00 0.00 54.97 56.30 1n4p s GLU 169 Cb -0.00 -1.96 0.01 0.00 -0.80 0.00 0.00 34.13 31.37 1n4p s GLU 169 CO 0.01 -1.21 -0.09 0.54 -1.33 0.00 0.00 175.26 173.17 1n4p s ASN 170 N -3.01 1.30 0.22 0.83 4.22 -1.26 -4.13 114.94 113.12 1n4p s ASN 170 Ca 0.63 -0.20 -0.20 0.00 -2.14 0.00 0.00 52.86 50.94 1n4p s ASN 170 Cb -0.18 -0.46 0.07 0.00 1.28 0.00 0.00 41.25 41.97 1n4p s ASN 170 CO 0.46 0.04 1.00 -0.90 -2.04 0.00 0.00 177.10 175.66 1n4p n ASP 171 N 3.53 -1.85 -0.31 3.54 5.68 -1.21 -4.94 116.55 120.97 1n4p n ASP 171 Ca -0.21 -2.04 0.21 0.00 -0.50 0.00 0.00 54.79 52.25 1n4p n ASP 171 Cb 0.53 3.03 0.48 0.00 -1.14 0.00 0.00 41.12 44.02 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 0.44 -0.64 0.11 1.85 -1.76 -2.01 114.93 112.92 1n4p h MET 172 Ca -0.29 -0.03 0.12 0.00 -0.61 0.00 0.00 59.70 58.90 1n4p h MET 172 Cb 1.22 -0.10 -0.09 0.00 0.43 0.00 0.00 31.60 33.06 1n4p h MET 172 CO 0.38 0.29 0.19 0.00 -0.40 0.00 0.00 176.91 177.37 1n4p h ARG 173 N 0.45 0.33 0.00 0.39 3.08 -1.93 -0.77 114.38 115.93 1n4p h ARG 173 Ca 0.57 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.59 1n4p h ARG 173 Cb 1.36 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1n4p h ARG 173 CO -0.29 0.22 -0.08 0.74 -1.07 0.00 0.00 179.97 179.48 1n4p h PHE 174 N 0.34 0.00 -0.47 3.04 0.05 -1.65 -2.36 116.94 115.88 1n4p h PHE 174 Ca 0.34 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.00 1n4p h PHE 174 Cb 0.50 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 1n4p h PHE 174 CO -0.21 0.08 -0.24 0.28 -0.18 0.00 0.00 178.31 178.04 1n4p h VAL 175 N 0.00 1.27 -0.65 -0.55 2.07 -1.11 -0.68 116.25 116.60 1n4p h VAL 175 Ca -0.00 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 1n4p h VAL 175 Cb 0.82 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1n4p h VAL 175 CO 0.01 0.48 0.09 0.22 0.02 0.00 0.00 177.57 178.39 1n4p h TYR 176 N 0.84 1.16 -0.31 1.57 3.20 -1.08 -1.01 116.97 121.34 1n4p h TYR 176 Ca 0.10 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1n4p h TYR 176 Cb 0.82 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1n4p h TYR 176 CO 0.06 0.99 0.17 0.00 -1.64 0.00 0.00 178.16 177.73 1n4p h ALA 178 N 1.04 0.69 -0.39 0.00 0.00 -0.94 -1.05 119.26 118.61 1n4p h ALA 178 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n4p h ALA 178 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1n4p h ALA 178 CO -0.02 0.08 0.25 0.77 0.00 0.00 0.00 179.25 180.34 1n4p h SER 179 N 0.69 0.46 -0.83 0.00 0.02 -0.81 -1.15 113.55 111.92 1n4p h SER 179 Ca 0.21 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1n4p h SER 179 Cb -0.03 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1n4p h SER 179 CO -0.07 0.34 0.39 0.00 -1.14 0.00 0.00 176.83 176.35 1n4p h ILE 181 N 1.19 0.88 -0.90 0.00 2.04 -0.84 0.07 117.51 119.95 1n4p h ILE 181 Ca 0.29 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1n4p h ILE 181 Cb 0.13 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1n4p h ILE 181 CO -0.03 0.09 0.59 0.00 0.00 0.00 0.00 178.15 178.79 1n4p h TYR 183 N 1.02 0.34 -0.39 0.00 3.20 -0.87 0.31 116.97 120.57 1n4p h TYR 183 Ca 0.39 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1n4p h TYR 183 Cb 0.21 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1n4p h TYR 183 CO -0.00 0.51 -0.01 0.52 -1.64 0.00 0.00 178.16 177.53 1n4p h MET 184 N 0.07 0.70 0.00 1.82 2.86 -0.41 -1.12 114.93 118.84 1n4p h MET 184 Ca 0.05 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1n4p h MET 184 Cb 0.37 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1n4p h MET 184 CO 0.01 0.80 0.00 1.28 1.06 0.00 0.00 176.91 180.06 1n4p n LEU 185 N -4.44 0.00 -4.18 1.22 4.77 0.03 -4.88 117.00 109.52 1n4p n LEU 185 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1n4p n LEU 185 Cb 0.30 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1n4p n LEU 185 CO 0.41 0.00 -0.33 -3.20 -1.33 0.00 0.00 177.39 172.93 1n4p n ASN 186 N -0.84 0.02 -3.46 -1.43 5.15 -0.20 -4.94 115.26 109.56 1n4p n ASN 186 Ca 0.15 -1.15 -0.01 0.00 -0.60 0.00 0.00 54.58 52.97 1n4p n ASN 186 Cb 0.07 -2.25 -0.04 0.00 -0.53 0.00 0.00 39.78 37.03 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 -4.25 -0.97 -0.11 1.20 3.84 -0.08 -5.02 114.94 109.55 1n4p s ASN 187 Ca 0.10 1.14 0.09 0.00 0.21 0.00 0.00 52.86 54.40 1n4p s ASN 187 Cb -0.06 2.02 0.45 0.00 -0.55 0.00 0.00 41.25 43.11 1n4p s ASN 187 CO 0.95 -0.24 1.22 0.79 -2.79 0.00 0.00 177.10 177.04 1n4p n TRP 188 N 5.43 1.09 0.79 0.43 7.02 -1.26 -3.97 117.44 126.96 1n4p n TRP 188 Ca -0.07 -0.39 0.10 0.00 -1.02 0.00 0.00 57.50 56.11 1n4p n TRP 188 Cb 0.50 -0.29 0.45 0.00 -2.42 0.00 0.00 31.31 29.56 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 0.41 0.00 0.04 -0.99 3.41 -1.26 -2.67 113.62 112.56 1n4p n SER 189 Ca 0.16 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 1n4p n SER 189 Cb 0.72 -0.41 0.40 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.47 -1.17 3.33 5.00 0.00 -1.26 -4.82 105.19 106.74 1n4p n GLY 190 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.09 1.09 -0.85 1.61 0.23 -1.09 -2.40 119.30 114.80 1n4p s MET 191 Ca 0.07 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.66 1n4p s MET 191 Cb 0.11 0.43 0.16 0.00 -1.53 0.00 0.00 34.83 33.99 1n4p s MET 191 CO 0.35 -0.41 0.95 0.34 -2.03 0.00 0.00 175.02 174.22 1n4p s ASP 192 N -2.87 6.63 0.33 -1.18 3.68 -1.26 -4.90 116.67 117.09 1n4p s ASP 192 Ca 0.08 -2.22 0.06 0.00 2.13 0.00 0.00 52.55 52.60 1n4p s ASP 192 Cb 0.02 -2.32 0.74 0.00 -1.45 0.00 0.00 42.92 39.91 1n4p s ASP 192 CO -0.07 -0.89 1.84 -0.03 0.13 0.00 0.00 175.17 176.15 1n4p h MET 193 N 8.47 0.76 -0.25 4.34 1.85 -1.98 -1.66 114.93 126.47 1n4p h MET 193 Ca 0.09 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1n4p h MET 193 Cb 1.04 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.88 1n4p h MET 193 CO 0.97 0.51 0.13 -0.22 -0.40 0.00 0.00 176.91 177.90 1n4p h LYS 194 N 0.79 0.27 -0.38 0.39 3.11 -1.99 -0.12 116.57 118.64 1n4p h LYS 194 Ca 0.49 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.21 1n4p h LYS 194 Cb 0.70 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1n4p h LYS 194 CO -0.25 0.18 -0.17 0.87 -2.81 0.00 0.00 179.45 177.27 1n4p h LYS 195 N 0.28 0.70 -0.26 1.90 1.57 -1.74 -1.93 116.57 117.09 1n4p h LYS 195 Ca 0.10 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1n4p h LYS 195 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1n4p h LYS 195 CO -0.06 0.83 0.07 0.00 -0.57 0.00 0.00 179.45 179.72 1n4p h ALA 196 N 1.19 0.34 -0.97 3.86 0.00 -0.96 -1.34 119.26 121.39 1n4p h ALA 196 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n4p h ALA 196 Cb 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1n4p h ALA 196 CO 0.04 -0.01 0.64 0.82 0.00 0.00 0.00 179.25 180.74 1n4p h ILE 197 N 0.25 1.19 -0.74 0.00 2.04 -0.91 -0.85 117.51 118.49 1n4p h ILE 197 Ca 0.08 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1n4p h ILE 197 Cb 0.27 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1n4p h ILE 197 CO -0.00 0.23 0.43 -1.28 0.00 0.00 0.00 178.15 177.52 1n4p h SER 198 N 1.25 0.91 -0.61 1.72 0.87 -0.99 -0.94 113.55 115.76 1n4p h SER 198 Ca 0.38 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1n4p h SER 198 Cb -0.04 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 1n4p h SER 198 CO -0.11 0.72 0.26 0.22 -0.53 0.00 0.00 176.83 177.39 1n4p h TYR 199 N 1.02 0.91 -0.72 2.24 3.20 -0.12 -1.42 116.97 122.08 1n4p h TYR 199 Ca 0.26 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1n4p h TYR 199 Cb 0.00 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1n4p h TYR 199 CO -0.01 0.72 0.24 0.82 -1.64 0.00 0.00 178.16 178.29 1n4p h ILE 200 N 0.84 1.26 -0.19 1.81 2.04 -0.68 -2.58 117.51 120.01 1n4p h ILE 200 Ca 0.20 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1n4p h ILE 200 Cb 0.18 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1n4p h ILE 200 CO -0.02 0.34 0.06 0.03 0.00 0.00 0.00 178.15 178.56 1n4p h ARG 201 N 1.06 0.29 0.00 2.37 3.08 -0.94 -2.79 114.38 117.45 1n4p h ARG 201 Ca 0.23 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1n4p h ARG 201 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1n4p h ARG 201 CO -0.01 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 1n4p n ARG 202 N -4.81 0.00 0.00 0.04 1.74 -0.56 -1.71 116.66 111.36 1n4p n ARG 202 Ca -0.04 0.37 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1n4p n ARG 202 Cb 0.15 -1.50 0.37 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 -1.51 0.84 -4.69 0.55 3.41 -0.99 -3.87 113.62 107.37 1n4p n SER 203 Ca 0.02 -0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 57.51 1n4p n SER 203 Cb 0.09 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.63 4.26 0.75 4.33 -2.45 -0.70 -1.30 119.30 121.58 1n4p s MET 204 Ca 0.21 2.07 -0.09 0.00 -1.25 0.00 0.00 55.69 56.64 1n4p s MET 204 Cb 0.19 -3.54 0.07 0.00 1.25 0.00 0.00 34.83 32.80 1n4p s MET 204 CO 0.56 -0.60 1.09 0.45 1.05 0.00 0.00 175.02 177.57 1n4p s SER 205 N 1.92 4.68 0.55 1.11 0.15 -0.05 -4.88 113.70 117.18 1n4p s SER 205 Ca 0.66 0.60 0.33 0.00 0.70 0.00 0.00 55.95 58.24 1n4p s SER 205 Cb -0.34 -1.19 1.53 0.00 -1.71 0.00 0.00 66.02 64.31 1n4p s SER 205 CO 0.28 -1.73 2.06 0.10 1.20 0.00 0.00 173.24 175.15 1n4p h TYR 206 N -0.80 0.00 -0.25 3.44 -0.00 -1.94 -0.77 116.97 116.65 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 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 1n4p h TYR 206 CO 0.33 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.15 1n4p n ASP 207 N -3.28 1.75 0.00 0.10 3.85 -1.26 -4.94 116.55 112.77 1n4p n ASP 207 Ca -0.01 -1.83 0.00 0.00 -0.71 0.00 0.00 54.79 52.24 1n4p n ASP 207 Cb 0.26 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 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 0.40 0.00 -4.48 -1.12 3.02 -0.30 -4.80 115.26 107.99 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 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.99 1.77 -0.10 7.41 0.00 -1.26 -4.17 107.32 108.98 1n4p s GLY 209 Ca 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 1n4p s GLY 209 CO 0.00 -1.02 -0.01 1.08 0.00 0.00 0.00 173.10 173.15 1n4p s LEU 210 N -5.37 3.50 0.00 0.66 1.02 -1.26 -0.87 118.68 116.36 1n4p s LEU 210 Ca 0.70 0.09 0.05 0.00 0.02 0.00 0.00 54.13 54.98 1n4p s LEU 210 Cb -0.04 -1.81 0.05 0.00 0.02 0.00 0.00 46.19 44.41 1n4p s LEU 210 CO 0.47 0.34 0.41 0.00 0.02 0.00 0.00 176.35 177.59 1n4p n ALA 211 N 2.40 0.74 0.21 4.21 0.00 -0.42 -0.74 120.51 126.93 1n4p n ALA 211 Ca -0.18 -1.63 0.07 0.00 0.00 0.00 0.00 53.44 51.70 1n4p n ALA 211 Cb 0.53 0.59 0.47 0.00 0.00 0.00 0.00 19.45 21.05 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 -2.14 0.00 1.08 -1.87 -3.45 115.11 108.73 1n4p h GLN 212 Ca -0.24 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.17 1n4p h GLN 212 Cb 0.95 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.29 1n4p h GLN 212 CO 0.37 0.28 0.56 0.20 -0.95 0.00 0.00 178.83 179.30 1n4p s GLY 213 N -4.29 -0.27 0.23 3.46 0.00 -1.26 -2.27 107.32 102.92 1n4p s GLY 213 Ca -0.01 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.63 1n4p s GLY 213 CO 0.66 0.07 1.23 0.00 0.00 0.00 0.00 173.10 175.06 1n4p n ALA 214 N -0.48 0.08 0.00 3.20 0.00 -1.25 -2.05 120.51 120.00 1n4p n ALA 214 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1n4p n ALA 214 Cb 0.61 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.86 2.89 3.79 0.00 0.00 -1.26 -5.02 105.19 107.45 1n4p n GLY 215 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 2.37 0.13 0.99 2.01 -0.87 -4.98 118.68 118.33 1n4p s LEU 216 Ca 0.00 1.19 -0.31 0.00 0.01 0.00 0.00 54.13 55.02 1n4p s LEU 216 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 46.19 42.43 1n4p s LEU 216 CO 0.00 -2.21 1.44 -0.70 1.01 0.00 0.00 176.35 175.89 1n4p s GLU 217 N -5.19 4.29 0.54 1.70 2.12 -1.26 -4.68 118.70 116.22 1n4p s GLU 217 Ca 0.62 2.16 -0.21 0.00 0.36 0.00 0.00 54.97 57.90 1n4p s GLU 217 Cb -0.15 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1n4p s GLU 217 CO 0.54 -0.48 1.27 -1.54 -0.54 0.00 0.00 175.26 174.51 1n4p s SER 218 N 1.08 5.42 -0.02 -1.70 1.04 -1.26 -4.31 113.70 113.96 1n4p s SER 218 Ca 0.66 2.55 -0.07 0.00 0.48 0.00 0.00 55.95 59.57 1n4p s SER 218 Cb -0.39 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.12 1n4p s SER 218 CO 0.31 -1.45 0.16 -2.28 0.98 0.00 0.00 173.24 170.96 1n4p s HIS 219 N -1.44 -0.03 0.27 5.02 2.46 0.09 -4.82 115.29 116.84 1n4p s HIS 219 Ca 0.72 0.05 -0.01 0.00 0.47 0.00 0.00 55.06 56.30 1n4p s HIS 219 Cb -0.35 -0.01 0.47 0.00 -0.13 0.00 0.00 32.58 32.56 1n4p s HIS 219 CO 0.40 -0.24 1.86 0.78 -2.47 0.00 0.00 174.74 175.08 1n4p h GLY 220 N 4.69 1.57 0.80 1.59 0.00 -0.17 0.45 103.07 111.99 1n4p h GLY 220 Ca -0.29 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1n4p h GLY 220 CO 0.40 0.27 -0.02 -1.33 0.00 0.00 0.00 176.54 175.86 1n4p h GLY 221 N 1.10 -0.07 2.00 4.60 0.00 -1.92 -1.92 103.07 106.87 1n4p h GLY 221 Ca 0.46 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.72 1n4p h GLY 221 CO -0.21 -0.02 -0.45 1.48 0.00 0.00 0.00 176.54 177.33 1n4p h SER 222 N -0.27 0.00 -0.55 0.19 4.64 -1.75 -1.73 113.55 114.08 1n4p h SER 222 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1n4p h SER 222 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1n4p h SER 222 CO 0.01 0.45 0.05 0.74 -0.87 0.00 0.00 176.83 177.21 1n4p h THR 223 N 0.00 1.26 -0.11 2.95 2.02 -0.83 0.12 112.91 118.33 1n4p h THR 223 Ca -0.00 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1n4p h THR 223 Cb 0.87 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1n4p h THR 223 CO 0.06 0.38 0.06 0.15 0.37 0.00 0.00 175.52 176.53 1n4p h PHE 224 N 0.83 0.15 -0.82 3.16 3.57 -1.04 -0.48 116.94 122.32 1n4p h PHE 224 Ca 0.16 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1n4p h PHE 224 Cb 0.48 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1n4p h PHE 224 CO 0.04 0.18 0.48 0.00 -2.23 0.00 0.00 178.31 176.78 1n4p h GLY 226 N 0.84 -0.14 0.96 0.00 0.00 -0.76 -1.73 103.07 102.24 1n4p h GLY 226 Ca 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1n4p h GLY 226 CO -0.22 -0.05 0.19 -2.22 0.00 0.00 0.00 176.54 174.25 1n4p h ILE 227 N -0.64 1.14 -0.89 2.60 1.08 -0.92 -1.95 117.51 117.93 1n4p h ILE 227 Ca -0.01 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1n4p h ILE 227 Cb 0.51 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 1n4p h ILE 227 CO 0.02 0.15 0.48 0.00 -0.69 0.00 0.00 178.15 178.11 1n4p h ALA 228 N 1.05 1.14 -0.30 1.87 0.00 -0.54 -0.89 119.26 121.59 1n4p h ALA 228 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n4p h ALA 228 Cb 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1n4p h ALA 228 CO -0.02 0.65 0.17 0.77 0.00 0.00 0.00 179.25 180.82 1n4p h SER 229 N 1.24 0.27 -0.72 0.00 0.02 -1.00 0.36 113.55 113.73 1n4p h SER 229 Ca 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1n4p h SER 229 Cb 0.04 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1n4p h SER 229 CO -0.05 0.20 0.35 -0.07 -1.14 0.00 0.00 176.83 176.13 1n4p h LEU 230 N 0.35 0.94 -0.37 5.07 3.38 -0.87 -1.12 115.31 122.70 1n4p h LEU 230 Ca 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1n4p h LEU 230 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1n4p h LEU 230 CO -0.06 0.80 0.07 0.00 0.09 0.00 0.00 178.44 179.33 1n4p h LEU 232 N 0.45 0.42 0.00 0.00 4.07 -0.46 0.11 115.31 119.90 1n4p h LEU 232 Ca 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1n4p h LEU 232 Cb 0.35 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1n4p h LEU 232 CO 0.01 0.30 -0.16 0.24 -1.08 0.00 0.00 178.44 177.74 1n4p h MET 233 N 0.50 0.00 -3.39 1.13 2.86 -0.66 -3.48 114.93 111.89 1n4p h MET 233 Ca 0.17 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 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 -0.04 0.00 -0.33 0.41 1.06 0.00 0.00 176.91 178.01 1n4p n GLY 234 N 1.27 0.20 0.69 8.32 0.00 0.56 -4.96 105.19 111.28 1n4p n GLY 234 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.55 0.17 0.32 1.61 5.02 -0.11 -4.90 118.16 117.72 1n4p n LYS 235 Ca -0.04 -1.44 -0.18 0.00 -2.02 0.00 0.00 58.31 54.63 1n4p n LYS 235 Cb 0.54 -0.51 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 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 -1.20 -1.04 -0.35 6.46 -1.91 -0.69 115.31 116.84 1n4p h LEU 236 Ca -0.05 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1n4p h LEU 236 Cb 1.47 0.38 -0.07 0.00 -0.73 0.00 0.00 40.66 41.70 1n4p h LEU 236 CO 0.02 -0.64 0.63 -0.33 -0.62 0.00 0.00 178.44 177.51 1n4p h GLU 237 N -0.98 1.03 -0.22 1.25 4.39 -1.90 -1.97 114.58 116.17 1n4p h GLU 237 Ca -0.06 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 1n4p h GLU 237 Cb 0.84 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1n4p h GLU 237 CO -0.01 0.68 -0.45 1.49 -1.16 0.00 0.00 179.01 179.57 1n4p h GLU 238 N 1.06 0.56 0.23 2.33 4.81 -1.85 -3.34 114.58 118.38 1n4p h GLU 238 Ca 0.46 -0.30 -0.32 0.00 -0.13 0.00 0.00 59.36 59.06 1n4p h GLU 238 Cb 0.33 0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.75 1n4p h GLU 238 CO -0.21 0.90 -1.48 0.28 -0.73 0.00 0.00 179.01 177.77 1n4p h VAL 239 N 0.45 1.21 -3.73 0.32 2.07 -0.66 -3.46 116.25 112.46 1n4p h VAL 239 Ca 0.03 -2.63 -0.68 0.00 0.82 0.00 0.00 66.70 64.25 1n4p h VAL 239 Cb 0.96 2.98 -0.23 0.00 -1.52 0.00 0.00 31.29 33.49 1n4p h VAL 239 CO 0.09 0.81 -0.74 -0.36 0.02 0.00 0.00 177.57 177.39 1n4p s PHE 240 N -2.57 2.82 0.98 1.57 2.99 -0.78 -5.08 117.98 117.90 1n4p s PHE 240 Ca -0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 56.93 56.48 1n4p s PHE 240 Cb 0.04 -1.72 0.18 0.00 0.00 0.00 0.00 43.02 41.52 1n4p s PHE 240 CO 0.91 0.13 1.12 -1.54 -0.00 0.00 0.00 175.22 175.84 1n4p s SER 241 N -0.46 2.82 0.20 1.36 1.04 -1.26 -4.62 113.70 112.78 1n4p s SER 241 Ca 0.06 1.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.44 1n4p s SER 241 Cb -0.12 -1.63 0.13 0.00 0.10 0.00 0.00 66.02 64.50 1n4p s SER 241 CO 0.02 -2.99 1.74 -0.08 0.98 0.00 0.00 173.24 172.92 1n4p h GLU 242 N -1.80 1.14 -0.61 4.02 4.81 -1.99 0.23 114.58 120.38 1n4p h GLU 242 Ca -0.53 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.46 1n4p h GLU 242 Cb 1.33 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1n4p h GLU 242 CO 0.58 0.96 0.33 -0.22 -0.73 0.00 0.00 179.01 179.93 1n4p h LYS 243 N 1.09 0.84 -0.17 1.92 3.64 -1.99 -0.76 116.57 121.13 1n4p h LYS 243 Ca 0.24 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1n4p h LYS 243 Cb 0.28 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1n4p h LYS 243 CO -0.01 0.64 0.06 0.93 -2.27 0.00 0.00 179.45 178.80 1n4p h GLU 244 N 0.82 0.27 -0.15 1.90 5.08 -1.80 -2.26 114.58 118.43 1n4p h GLU 244 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1n4p h GLU 244 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1n4p h GLU 244 CO -0.03 0.37 0.06 -0.07 -1.00 0.00 0.00 179.01 178.33 1n4p h LEU 245 N 0.11 0.19 -0.62 1.33 3.38 -0.72 -0.78 115.31 118.19 1n4p h LEU 245 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1n4p h LEU 245 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1n4p h LEU 245 CO -0.00 0.18 -0.29 0.78 0.09 0.00 0.00 178.44 179.20 1n4p h ASN 246 N 0.21 0.80 -0.52 -0.43 -0.26 -0.79 -0.24 115.58 114.36 1n4p h ASN 246 Ca 0.06 -0.32 -0.12 0.00 -0.56 0.00 0.00 56.30 55.35 1n4p h ASN 246 Cb 0.06 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 1n4p h ASN 246 CO -0.01 1.04 -0.16 0.03 -1.06 0.00 0.00 177.43 177.27 1n4p h ARG 247 N 0.66 1.02 -0.26 0.81 3.08 -0.68 -0.98 114.38 118.03 1n4p h ARG 247 Ca 0.08 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1n4p h ARG 247 Cb 0.82 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1n4p h ARG 247 CO 0.07 1.09 0.01 0.82 -1.07 0.00 0.00 179.97 180.89 1n4p h ILE 248 N 0.89 1.25 -0.72 2.04 2.04 -1.05 -1.52 117.51 120.44 1n4p h ILE 248 Ca 0.13 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.17 1n4p h ILE 248 Cb 0.74 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1n4p h ILE 248 CO 0.06 0.28 0.40 0.11 0.00 0.00 0.00 178.15 179.00 1n4p h LYS 249 N 0.24 0.70 -0.57 2.37 1.57 -0.89 0.34 116.57 120.32 1n4p h LYS 249 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1n4p h LYS 249 Cb 0.40 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1n4p h LYS 249 CO 0.01 0.46 0.34 -0.09 -0.57 0.00 0.00 179.45 179.61 1n4p h ARG 250 N 0.72 0.78 -0.28 3.15 9.65 -0.92 -0.80 114.38 126.67 1n4p h ARG 250 Ca 0.33 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1n4p h ARG 250 Cb 0.25 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1n4p h ARG 250 CO -0.21 0.56 0.13 2.35 2.80 0.00 0.00 179.97 185.61 1n4p h TRP 251 N 0.77 0.41 -0.04 2.20 7.01 -0.22 -2.46 115.95 123.62 1n4p h TRP 251 Ca 0.21 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1n4p h TRP 251 Cb -0.01 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1n4p h TRP 251 CO -0.02 0.38 0.02 0.00 -2.79 0.00 0.00 178.44 176.03 1n4p h ILE 253 N -0.07 0.00 0.00 0.00 2.10 -1.14 -0.73 117.51 117.66 1n4p h ILE 253 Ca 0.01 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.68 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 -2.65 0.19 0.23 2.19 2.81 -0.93 -3.22 117.12 115.75 1n4p n MET 254 Ca 0.00 0.04 0.15 0.00 -1.81 0.00 0.00 57.70 56.09 1n4p n MET 254 Cb 0.21 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.70 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 -6.34 0.03 2.47 -1.16 -3.44 114.38 105.94 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 0.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1n4p h ARG 255 CO 0.00 0.00 0.51 -1.14 0.56 0.00 0.00 179.97 179.90 1n4p s GLN 256 N -3.44 4.46 -0.09 0.04 0.74 -1.20 -2.47 119.66 117.70 1n4p s GLN 256 Ca 0.04 1.47 0.02 0.00 0.05 0.00 0.00 55.36 56.93 1n4p s GLN 256 Cb 0.08 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 1n4p s GLN 256 CO 0.58 -0.23 -0.07 1.04 -0.55 0.00 0.00 175.29 176.06 1n4p n GLN 257 N 4.55 0.63 0.11 1.67 1.13 -1.26 -4.96 117.38 119.25 1n4p n GLN 257 Ca 0.08 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1n4p n GLN 257 Cb 0.49 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.69 -1.97 -0.44 1.08 0.23 -1.26 -5.07 115.26 105.14 1n4p n ASN 258 Ca -0.16 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1n4p n ASN 258 Cb 0.68 2.05 0.00 0.00 -2.08 0.00 0.00 39.78 40.43 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 -1.32 1.76 3.37 4.83 0.00 -1.26 -2.35 105.19 110.20 1n4p n GLY 259 Ca 0.00 -2.03 -0.30 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 1.74 2.33 0.34 1.61 1.51 -1.26 -4.44 117.35 119.18 1n4p s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1n4p s TYR 260 Cb 0.00 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1n4p s TYR 260 CO 0.00 0.19 0.26 -3.38 -1.11 0.00 0.00 175.55 171.52 1n4p s HIS 261 N -0.89 2.85 -0.39 2.71 -3.43 -1.03 -1.22 115.29 113.89 1n4p s HIS 261 Ca 0.13 -0.32 0.23 0.00 -0.80 0.00 0.00 55.06 54.29 1n4p s HIS 261 Cb -0.10 -1.77 0.24 0.00 -1.43 0.00 0.00 32.58 29.52 1n4p s HIS 261 CO 0.03 0.21 1.40 0.78 -2.00 0.00 0.00 174.74 175.17 1n4p h GLY 262 N 1.31 0.00 -3.71 -1.38 0.00 -1.86 -3.45 103.07 93.98 1n4p h GLY 262 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1n4p h GLY 262 CO 0.59 0.00 0.30 1.09 0.00 0.00 0.00 176.54 178.53 1n4p s ARG 263 N -3.26 1.00 0.20 4.80 1.70 -1.26 0.56 118.95 122.69 1n4p s ARG 263 Ca 0.04 -0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.96 1n4p s ARG 263 Cb 0.07 0.47 -0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1n4p s ARG 263 CO 0.71 -0.37 0.83 -2.30 -1.08 0.00 0.00 175.30 173.09 1n4p n PRO 264 N 0.35 0.59 -1.96 3.89 -0.02 -1.26 -2.32 135.00 134.27 1n4p n PRO 264 Ca -0.15 0.21 -0.19 0.00 -2.02 0.00 0.00 63.50 61.34 1n4p n PRO 264 Cb 0.60 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.58 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 1.74 -5.43 -4.41 2.55 3.02 -1.26 -5.01 115.26 106.46 1n4p n ASN 265 Ca 0.15 0.23 -0.29 0.00 -0.03 0.00 0.00 54.58 54.65 1n4p n ASN 265 Cb 0.25 -4.55 -0.13 0.00 -0.61 0.00 0.00 39.78 34.75 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 -4.29 1.46 0.60 3.52 -0.14 -0.98 -5.12 119.74 114.79 1n4p s LYS 266 Ca 0.00 -1.37 -0.19 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 1.23 -1.25 -0.76 0.00 0.00 175.35 175.02 1n4p s PRO 267 N -2.19 2.93 0.64 -1.68 0.04 -1.26 -4.76 135.00 128.71 1n4p s PRO 267 Ca 0.16 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1n4p s PRO 267 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1n4p s PRO 267 CO 0.07 -1.26 1.10 0.14 0.04 0.00 0.00 177.00 177.09 1n4p s VAL 268 N -1.53 3.32 -0.10 -0.36 -7.23 -1.26 -4.49 120.40 108.75 1n4p s VAL 268 Ca 0.78 0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 61.52 1n4p s VAL 268 Cb -0.32 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 33.51 1n4p s VAL 268 CO 0.35 -0.37 0.23 -0.62 -0.31 0.00 0.00 175.10 174.38 1n4p s ASP 269 N -2.57 -0.12 0.32 4.85 -1.08 -0.36 -4.83 116.67 112.89 1n4p s ASP 269 Ca 0.67 0.49 0.07 0.00 -0.52 0.00 0.00 52.55 53.26 1n4p s ASP 269 Cb -0.20 0.40 0.90 0.00 -1.46 0.00 0.00 42.92 42.56 1n4p s ASP 269 CO 0.40 -0.18 1.54 0.41 0.52 0.00 0.00 175.17 177.86 1n4p n THR 270 N 4.42 -0.41 0.28 1.71 -1.04 -0.81 -0.89 114.28 117.53 1n4p n THR 270 Ca -0.22 2.11 0.16 0.00 -2.04 0.00 0.00 64.05 64.05 1n4p n THR 270 Cb 0.52 -3.17 0.90 0.00 -1.82 0.00 0.00 70.33 66.77 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 -1.25 -1.29 116.97 114.48 1n4p h TYR 272 Ca 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1n4p h TYR 272 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1n4p h TYR 272 CO 0.00 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 177.86 1n4p h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.27 0.78 113.55 116.97 1n4p h SER 273 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1n4p h SER 273 Cb 0.48 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1n4p h SER 273 CO 0.00 0.02 -1.67 0.33 -1.14 0.00 0.00 176.83 174.37 1n4p n PHE 274 N -3.79 0.34 -0.04 3.45 7.35 -0.55 -3.16 117.46 121.06 1n4p n PHE 274 Ca -0.03 0.15 -0.12 0.00 -0.76 0.00 0.00 57.45 56.69 1n4p n PHE 274 Cb 0.10 -0.88 -0.06 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 -1.22 0.06 -5.13 -0.00 -1.25 0.86 115.95 108.26 1n4p h TRP 275 Ca -0.38 0.05 -0.15 0.00 -0.00 0.00 0.00 58.89 58.41 1n4p h TRP 275 Cb 1.27 0.57 0.02 0.00 -0.00 0.00 0.00 29.16 31.01 1n4p h TRP 275 CO -0.14 -0.47 -0.63 0.28 -0.00 0.00 0.00 178.44 177.48 1n4p h VAL 276 N -0.44 1.50 -0.66 1.49 2.07 -1.08 -3.04 116.25 116.09 1n4p h VAL 276 Ca 0.09 -2.28 0.07 0.00 0.82 0.00 0.00 66.70 65.40 1n4p h VAL 276 Cb 0.61 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.25 1n4p h VAL 276 CO -0.45 0.65 0.35 1.23 0.02 0.00 0.00 177.57 179.37 1n4p h GLY 277 N -0.31 0.96 1.87 2.17 0.00 -1.39 0.10 103.07 106.47 1n4p h GLY 277 Ca -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1n4p h GLY 277 CO 0.12 0.12 -0.22 0.00 0.00 0.00 0.00 176.54 176.56 1n4p h ALA 278 N 1.36 1.45 -0.16 3.60 0.00 0.65 -0.29 119.26 125.88 1n4p h ALA 278 Ca 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n4p h ALA 278 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n4p h ALA 278 CO -0.20 0.39 -0.07 1.15 0.00 0.00 0.00 179.25 180.51 1n4p h THR 279 N 0.15 1.31 -0.78 0.00 2.02 -1.04 -1.00 112.91 113.56 1n4p h THR 279 Ca 0.03 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1n4p h THR 279 Cb 0.48 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1n4p h THR 279 CO 0.03 0.33 0.52 -0.07 0.37 0.00 0.00 175.52 176.70 1n4p h LEU 280 N 0.00 0.83 -0.55 2.58 3.38 -0.60 0.05 115.31 121.00 1n4p h LEU 280 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1n4p h LEU 280 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1n4p h LEU 280 CO 0.02 0.57 0.16 0.50 0.09 0.00 0.00 178.44 179.78 1n4p h LYS 281 N 0.97 0.87 0.00 1.13 1.63 -0.74 -0.61 116.57 119.81 1n4p h LYS 281 Ca 0.31 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1n4p h LYS 281 Cb 0.04 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1n4p h LYS 281 CO -0.09 0.80 -0.30 -0.07 -3.45 0.00 0.00 179.45 176.34 1n4p h LEU 282 N 0.77 0.00 -1.40 5.20 3.38 -0.07 -1.56 115.31 121.63 1n4p h LEU 282 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1n4p h LEU 282 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1n4p h LEU 282 CO -0.00 0.30 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1n4p n LEU 283 N -3.99 2.04 -2.69 1.67 4.77 -0.10 -4.94 117.00 113.77 1n4p n LEU 283 Ca -0.02 -0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 54.77 1n4p n LEU 283 Cb 0.37 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1n4p n LEU 283 CO 0.37 0.50 -0.15 0.29 -1.33 0.00 0.00 177.39 177.07 1n4p n LYS 284 N 0.61 -2.96 -0.10 3.23 5.02 -0.52 -4.86 118.16 118.57 1n4p n LYS 284 Ca 0.14 0.87 0.01 0.00 -2.02 0.00 0.00 58.31 57.31 1n4p n LYS 284 Cb 0.34 -5.60 0.02 0.00 -0.02 0.00 0.00 35.03 29.76 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 -4.08 0.53 0.23 -0.18 -5.35 -0.35 -4.73 119.36 105.43 1n4p n ILE 285 Ca -0.17 -0.58 0.07 0.00 -0.27 0.00 0.00 62.75 61.80 1n4p n ILE 285 Cb 0.64 0.61 0.55 0.00 -1.74 0.00 0.00 39.64 39.70 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 0.00 -0.03 4.28 3.57 -1.81 -1.26 116.94 121.69 1n4p h PHE 286 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n4p h PHE 286 Cb 0.92 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1n4p h PHE 286 CO 0.02 0.16 0.07 -0.56 -2.23 0.00 0.00 178.31 175.77 1n4p h GLN 287 N 0.00 0.00 -0.23 1.11 3.07 -1.89 -1.35 115.11 115.83 1n4p h GLN 287 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1n4p h GLN 287 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 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 -3.35 0.29 -2.21 0.06 0.53 -0.48 -4.92 117.16 107.08 1n4p n TYR 288 Ca -0.02 -0.15 -0.26 0.00 -1.02 0.00 0.00 57.90 56.46 1n4p n TYR 288 Cb 0.15 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.53 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 -1.71 2.27 -0.52 -0.72 -4.23 -0.51 -5.02 115.64 105.20 1n4p s THR 289 Ca 0.34 -0.28 -0.23 0.00 -1.18 0.00 0.00 61.69 60.35 1n4p s THR 289 Cb 0.20 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1n4p s THR 289 CO 0.29 0.00 0.84 0.21 -0.54 0.00 0.00 174.62 175.42 1n4p s ASN 290 N -4.52 6.33 0.04 3.99 3.84 -1.26 -4.95 114.94 118.40 1n4p s ASN 290 Ca 0.60 -0.44 -0.21 0.00 0.21 0.00 0.00 52.86 53.02 1n4p s ASN 290 Cb -0.11 -2.39 -0.14 0.00 -0.55 0.00 0.00 41.25 38.06 1n4p s ASN 290 CO 0.45 -1.09 1.40 -0.26 -2.79 0.00 0.00 177.10 174.81 1n4p h PHE 291 N 9.18 0.31 -0.13 0.43 0.05 -1.95 -3.17 116.94 121.67 1n4p h PHE 291 Ca -0.26 -0.08 0.04 0.00 3.82 0.00 0.00 57.97 61.49 1n4p h PHE 291 Cb 1.08 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.92 1n4p h PHE 291 CO 0.85 0.60 -0.09 1.49 -0.18 0.00 0.00 178.31 180.98 1n4p h GLU 292 N -0.06 -0.10 -0.45 1.51 4.81 -1.97 0.11 114.58 118.42 1n4p h GLU 292 Ca 0.03 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1n4p h GLU 292 Cb 0.51 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1n4p h GLU 292 CO 0.02 -0.07 0.14 0.87 -0.73 0.00 0.00 179.01 179.24 1n4p h LYS 293 N -0.10 0.66 -0.01 1.92 1.57 -1.85 0.20 116.57 118.96 1n4p h LYS 293 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1n4p h LYS 293 Cb 0.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1n4p h LYS 293 CO -0.19 0.58 -0.01 -0.97 -0.57 0.00 0.00 179.45 178.29 1n4p h ASN 294 N 0.65 0.03 -0.52 0.86 -1.24 -1.06 -1.79 115.58 112.51 1n4p h ASN 294 Ca 0.15 -0.44 0.03 0.00 0.71 0.00 0.00 56.30 56.75 1n4p h ASN 294 Cb 0.20 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.21 1n4p h ASN 294 CO -0.01 0.46 0.31 -0.09 -1.29 0.00 0.00 177.43 176.81 1n4p h ARG 295 N -0.40 0.59 -0.44 6.67 2.43 -0.49 -1.36 114.38 121.37 1n4p h ARG 295 Ca 0.00 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1n4p h ARG 295 Cb 0.45 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1n4p h ARG 295 CO 0.00 0.39 0.21 -0.91 -1.51 0.00 0.00 179.97 178.15 1n4p h ASN 296 N 0.61 0.29 0.21 -3.80 4.21 -0.58 -1.61 115.58 114.91 1n4p h ASN 296 Ca 0.21 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.74 1n4p h ASN 296 Cb 0.03 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1n4p h ASN 296 CO -0.10 0.21 -0.10 0.22 -1.29 0.00 0.00 177.43 176.37 1n4p h TYR 297 N 0.42 -0.26 -0.50 1.19 3.20 -0.79 -1.62 116.97 118.61 1n4p h TYR 297 Ca 0.20 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.16 1n4p h TYR 297 Cb 0.12 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.39 1n4p h TYR 297 CO -0.11 -0.09 -0.05 0.82 -1.64 0.00 0.00 178.16 177.09 1n4p h ILE 298 N -0.37 0.57 0.00 1.81 2.04 -1.09 0.16 117.51 120.62 1n4p h ILE 298 Ca -0.03 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1n4p h ILE 298 Cb 0.29 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1n4p h ILE 298 CO 0.05 0.01 -0.17 -0.07 0.00 0.00 0.00 178.15 177.97 1n4p h LEU 299 N 0.07 0.00 -0.32 1.44 3.38 -1.19 -1.49 115.31 117.21 1n4p h LEU 299 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1n4p h LEU 299 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1n4p h LEU 299 CO -0.45 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 176.70 1n4p n SER 300 N -3.85 0.35 -1.10 -0.43 3.41 0.03 -1.88 113.62 110.14 1n4p n SER 300 Ca -0.02 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 1n4p n SER 300 Cb 0.26 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.88 1.14 -2.67 6.66 -2.24 -0.56 -4.33 114.28 110.40 1n4p n THR 301 Ca 0.03 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 1n4p n THR 301 Cb 0.22 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.16 4.59 -0.56 -0.78 0.74 -0.79 -0.91 119.66 120.79 1n4p s GLN 302 Ca 0.40 1.49 -0.21 0.00 0.05 0.00 0.00 55.36 57.08 1n4p s GLN 302 Cb 0.22 -3.41 0.06 0.00 1.10 0.00 0.00 33.01 30.98 1n4p s GLN 302 CO 0.25 0.02 0.80 0.34 -0.55 0.00 0.00 175.29 176.15 1n4p s ASP 303 N 0.62 6.24 0.33 6.67 -1.08 -0.53 -4.90 116.67 124.01 1n4p s ASP 303 Ca 0.51 -0.82 0.26 0.00 -0.52 0.00 0.00 52.55 51.97 1n4p s ASP 303 Cb -0.23 -2.36 1.11 0.00 -1.46 0.00 0.00 42.92 39.97 1n4p s ASP 303 CO 0.29 -1.13 1.77 0.03 0.52 0.00 0.00 175.17 176.65 1n4p h ARG 304 N 9.23 0.00 0.00 4.34 3.08 -1.88 0.96 114.38 130.11 1n4p h ARG 304 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1n4p h ARG 304 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1n4p h ARG 304 CO 1.06 0.00 -1.08 -0.11 -1.07 0.00 0.00 179.97 178.78 1n4p n LEU 305 N -2.41 1.86 0.02 3.04 -0.00 -1.26 -4.62 117.00 113.62 1n4p n LEU 305 Ca 0.01 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.62 1n4p n LEU 305 Cb 0.22 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 42.75 1n4p n LEU 305 CO 0.20 -0.08 -0.08 1.33 -0.00 0.00 0.00 177.39 178.76 1n4p n VAL 306 N -4.49 0.11 0.00 1.96 0.24 -1.24 -5.09 118.33 109.81 1n4p n VAL 306 Ca -0.22 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1n4p n VAL 306 Cb 0.51 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.39 -0.14 0.42 7.63 0.00 0.33 -4.45 105.19 110.37 1n4p n GLY 307 Ca 0.02 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.30 -1.53 3.32 -0.02 0.00 -1.26 -4.29 105.19 101.12 1n4p n GLY 308 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.46 1.62 0.47 1.61 0.40 -1.26 -1.46 117.98 117.89 1n4p s PHE 309 Ca 0.00 -0.60 0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1n4p s PHE 309 Cb 0.00 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1n4p s PHE 309 CO 0.00 0.30 0.11 0.00 0.70 0.00 0.00 175.22 176.33 1n4p s ALA 310 N -2.94 3.82 0.13 5.36 0.00 -0.09 -2.54 121.76 125.50 1n4p s ALA 310 Ca 0.20 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 1n4p s ALA 310 Cb -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 1n4p s ALA 310 CO 0.05 -0.15 1.36 1.57 0.00 0.00 0.00 175.76 178.60 1n4p h LYS 311 N 1.37 0.71 -5.40 0.00 2.10 -1.88 -3.40 116.57 110.06 1n4p h LYS 311 Ca -0.43 -0.55 -0.41 0.00 -2.00 0.00 0.00 60.65 57.26 1n4p h LYS 311 Cb 1.28 0.10 -0.14 0.00 -0.90 0.00 0.00 32.23 32.57 1n4p h LYS 311 CO 0.72 1.17 -0.72 -1.58 -2.00 0.00 0.00 179.45 177.03 1n4p s TRP 312 N -3.79 1.58 0.51 0.07 0.51 -1.26 -1.93 118.94 114.62 1n4p s TRP 312 Ca -0.09 -0.64 -0.22 0.00 -2.12 0.00 0.00 56.10 53.03 1n4p s TRP 312 Cb 0.09 -0.76 -0.06 0.00 -0.81 0.00 0.00 33.47 31.94 1n4p s TRP 312 CO 0.89 0.27 1.25 -1.25 -0.51 0.00 0.00 176.95 177.59 1n4p s PRO 313 N -3.68 3.41 -1.53 4.98 0.04 -1.26 -2.65 135.00 134.31 1n4p s PRO 313 Ca 0.21 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 1n4p s PRO 313 Cb 0.00 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1n4p s PRO 313 CO 0.05 -0.89 0.16 -0.25 0.04 0.00 0.00 177.00 176.11 1n4p n ASP 314 N -0.85 -5.45 -4.49 6.66 8.00 -1.26 -4.99 116.55 114.16 1n4p n ASP 314 Ca 0.09 -0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1n4p n ASP 314 Cb 0.47 -4.44 -0.10 0.00 -0.02 0.00 0.00 41.12 37.03 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 -2.33 3.68 0.20 -2.24 0.15 -1.08 -5.11 113.70 106.97 1n4p s SER 315 Ca 0.08 -1.03 -0.30 0.00 0.70 0.00 0.00 55.95 55.40 1n4p s SER 315 Cb -0.03 -0.35 -0.08 0.00 -1.71 0.00 0.00 66.02 63.85 1n4p s SER 315 CO 0.10 -0.00 1.11 -1.00 1.20 0.00 0.00 173.24 174.65 1n4p s HIS 316 N -2.51 3.57 0.60 3.44 3.76 -1.26 -4.70 115.29 118.18 1n4p s HIS 316 Ca 0.31 1.60 -0.14 0.00 -0.15 0.00 0.00 55.06 56.67 1n4p s HIS 316 Cb -0.04 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.31 1n4p s HIS 316 CO 0.16 -0.67 1.03 -1.25 -0.85 0.00 0.00 174.74 173.16 1n4p s PRO 317 N -0.56 3.46 0.11 8.40 0.04 -1.26 -4.58 135.00 140.62 1n4p s PRO 317 Ca 0.49 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 1n4p s PRO 317 Cb -0.30 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1n4p s PRO 317 CO 0.36 -0.68 0.25 0.16 0.04 0.00 0.00 177.00 177.13 1n4p s ASP 318 N -3.28 0.04 0.27 6.66 1.47 -1.05 -4.96 116.67 115.82 1n4p s ASP 318 Ca 0.60 -0.65 -0.01 0.00 1.18 0.00 0.00 52.55 53.66 1n4p s ASP 318 Cb -0.13 0.39 0.48 0.00 -0.34 0.00 0.00 42.92 43.31 1n4p s ASP 318 CO 0.41 -0.79 1.83 0.00 0.68 0.00 0.00 175.17 177.31 1n4p h ALA 319 N 2.63 1.38 -0.06 2.11 0.00 -1.97 -1.27 119.26 122.09 1n4p h ALA 319 Ca -0.33 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1n4p h ALA 319 Cb 1.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n4p h ALA 319 CO 0.53 0.22 0.01 1.25 0.00 0.00 0.00 179.25 181.25 1n4p h LEU 320 N 0.95 0.09 -0.91 0.00 6.46 -1.95 -1.37 115.31 118.58 1n4p h LEU 320 Ca 0.45 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1n4p h LEU 320 Cb 0.40 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1n4p h LEU 320 CO -0.25 0.32 -0.22 0.45 -0.62 0.00 0.00 178.44 178.12 1n4p h HIS 321 N -0.15 0.00 -0.12 1.25 3.86 -1.75 -1.39 115.15 116.85 1n4p h HIS 321 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1n4p h HIS 321 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1n4p h HIS 321 CO 0.01 0.22 -0.23 0.00 0.86 0.00 0.00 177.93 178.80 1n4p h ALA 322 N 1.78 0.19 -0.16 2.45 0.00 -1.13 -0.09 119.26 122.30 1n4p h ALA 322 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1n4p h ALA 322 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1n4p h ALA 322 CO 0.03 0.15 0.04 -0.92 0.00 0.00 0.00 179.25 178.55 1n4p h TYR 323 N -0.05 0.27 0.00 0.00 3.20 -1.08 -2.30 116.97 117.01 1n4p h TYR 323 Ca 0.01 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1n4p h TYR 323 Cb 0.81 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1n4p h TYR 323 CO 0.10 0.39 -0.42 0.74 -1.64 0.00 0.00 178.16 177.33 1n4p h PHE 324 N 0.07 0.00 -0.46 -3.82 0.05 -1.30 -0.34 116.94 111.13 1n4p h PHE 324 Ca 0.05 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.71 1n4p h PHE 324 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 1n4p h PHE 324 CO 0.01 0.42 -0.24 0.78 -0.18 0.00 0.00 178.31 179.10 1n4p h GLY 325 N 2.13 1.04 0.96 -1.45 0.00 -0.92 0.12 103.07 104.94 1n4p h GLY 325 Ca -0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 47.33 46.29 1n4p h GLY 325 CO 0.05 0.86 -0.15 -2.22 0.00 0.00 0.00 176.54 175.08 1n4p h ILE 326 N 0.82 1.29 -0.20 2.60 2.04 -1.11 -1.00 117.51 121.95 1n4p h ILE 326 Ca 0.10 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1n4p h ILE 326 Cb 0.82 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1n4p h ILE 326 CO 0.07 0.41 -0.12 0.00 0.00 0.00 0.00 178.15 178.51 1n4p h GLY 328 N 0.82 0.77 1.00 0.00 0.00 -0.40 -2.08 103.07 103.17 1n4p h GLY 328 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1n4p h GLY 328 CO 0.02 0.46 0.26 1.41 0.00 0.00 0.00 176.54 178.70 1n4p h LEU 329 N 0.58 0.84 -1.69 3.11 4.07 -0.64 -2.55 115.31 119.03 1n4p h LEU 329 Ca 0.14 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.05 1n4p h LEU 329 Cb 0.34 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1n4p h LEU 329 CO 0.00 0.77 0.40 -1.28 -1.08 0.00 0.00 178.44 177.25 1n4p h SER 330 N 0.86 0.31 0.14 -0.43 0.87 -0.64 -1.45 113.55 113.21 1n4p h SER 330 Ca 0.21 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1n4p h SER 330 Cb 0.18 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1n4p h SER 330 CO -0.02 0.18 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.25 1n4p h LEU 331 N 0.34 0.02 -2.76 2.23 4.07 -0.94 -0.83 115.31 117.43 1n4p h LEU 331 Ca 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1n4p h LEU 331 Cb 0.64 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1n4p h LEU 331 CO -0.07 0.16 0.00 0.23 -1.08 0.00 0.00 178.44 177.68 1n4p n MET 332 N -4.36 3.00 -3.00 1.13 2.81 -0.57 -4.98 117.12 111.15 1n4p n MET 332 Ca -0.02 -2.64 -0.03 0.00 -1.81 0.00 0.00 57.70 53.20 1n4p n MET 332 Cb 0.22 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 1.43 -1.66 -3.01 0.03 1.02 -0.32 -4.97 120.64 113.16 1n4p n GLU 333 Ca 0.24 1.69 -0.40 0.00 -0.02 0.00 0.00 57.16 58.67 1n4p n GLU 333 Cb 0.69 -5.70 -0.05 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.89 4.45 -0.01 3.49 2.56 -1.15 -4.98 118.70 120.17 1n4p s GLU 334 Ca 0.08 0.96 -0.33 0.00 0.00 0.00 0.00 54.97 55.68 1n4p s GLU 334 Cb -0.02 -3.43 -0.11 0.00 2.00 0.00 0.00 34.13 32.57 1n4p s GLU 334 CO 0.76 0.12 1.85 0.45 -0.56 0.00 0.00 175.26 177.88 1n4p n SER 335 N 3.53 3.60 0.00 -1.70 2.88 -1.26 -1.76 113.62 118.91 1n4p n SER 335 Ca -0.01 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1n4p n SER 335 Cb 0.51 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1n4p n SER 335 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4p n GLY 336 N 4.27 1.78 3.32 0.46 0.00 -1.26 -5.04 105.19 108.72 1n4p n GLY 336 Ca 0.21 0.00 -0.33 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 -2.27 2.91 0.82 -0.61 1.01 -0.72 -4.75 121.20 117.59 1n4p s ILE 337 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1n4p s ILE 337 Cb 0.00 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.33 1n4p s ILE 337 CO 0.00 0.51 1.19 0.00 0.00 0.00 0.00 174.94 176.65 1n4p s LYS 339 N -4.22 4.53 -0.02 0.00 2.20 -1.26 -4.81 119.74 116.15 1n4p s LYS 339 Ca 0.72 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1n4p s LYS 339 Cb -0.27 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1n4p s LYS 339 CO 0.51 0.05 0.02 0.54 -0.36 0.00 0.00 175.35 176.11 1n4p s VAL 340 N -1.15 4.34 -0.73 4.02 0.11 -1.26 -0.82 120.40 124.90 1n4p s VAL 340 Ca 0.46 -0.46 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 1n4p s VAL 340 Cb -0.35 -2.92 0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1n4p s VAL 340 CO 0.46 0.43 1.25 -2.28 -3.33 0.00 0.00 175.10 171.63 1n4p s HIS 341 N -1.06 2.32 0.37 1.54 2.46 0.17 -4.73 115.29 116.36 1n4p s HIS 341 Ca 0.19 -0.08 0.16 0.00 0.47 0.00 0.00 55.06 55.80 1n4p s HIS 341 Cb -0.12 -4.60 1.08 0.00 -0.13 0.00 0.00 32.58 28.81 1n4p s HIS 341 CO 0.09 -2.04 1.72 -1.00 -2.47 0.00 0.00 174.74 171.04 1n4p h PRO 342 N 9.98 0.38 0.05 2.88 0.13 -1.92 0.85 132.00 144.36 1n4p h PRO 342 Ca -0.28 -0.02 -0.27 0.00 -0.87 0.00 0.00 66.00 64.55 1n4p h PRO 342 Cb 1.05 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1n4p h PRO 342 CO 1.27 0.25 -1.41 0.00 -0.23 0.00 0.00 178.00 177.89 1n4p h ALA 343 N 1.70 0.41 0.00 -0.56 0.00 -1.91 -3.34 119.26 115.56 1n4p h ALA 343 Ca 0.67 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n4p h ALA 343 Cb 1.59 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1n4p h ALA 343 CO -0.43 1.28 -0.75 -0.11 0.00 0.00 0.00 179.25 179.24 1n4p n LEU 344 N -3.33 0.67 -3.50 0.00 7.94 -0.97 -4.90 117.00 112.91 1n4p n LEU 344 Ca -0.11 -0.14 -0.18 0.00 -1.11 0.00 0.00 56.01 54.46 1n4p n LEU 344 Cb 1.01 -0.15 0.07 0.00 0.53 0.00 0.00 43.42 44.89 1n4p n LEU 344 CO 0.48 0.14 0.05 -3.20 -1.11 0.00 0.00 177.39 173.75 1n4p n ASN 345 N -1.60 -2.18 -3.63 1.96 5.15 0.25 -5.01 115.26 110.21 1n4p n ASN 345 Ca 0.04 -0.70 -0.11 0.00 -0.60 0.00 0.00 54.58 53.21 1n4p n ASN 345 Cb 0.36 -4.77 -0.05 0.00 -0.53 0.00 0.00 39.78 34.78 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 -3.46 0.06 0.56 3.44 -7.23 -1.24 -4.99 120.40 107.55 1n4p s VAL 346 Ca 0.04 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 1n4p s VAL 346 Cb -0.01 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1n4p s VAL 346 CO 0.76 -0.27 1.33 -0.94 -0.31 0.00 0.00 175.10 175.66 1n4p s SER 347 N -2.56 5.18 0.36 4.85 1.04 -1.26 0.46 113.70 121.76 1n4p s SER 347 Ca 0.00 2.69 0.08 0.00 0.48 0.00 0.00 55.95 59.20 1n4p s SER 347 Cb 0.01 -2.63 0.78 0.00 0.10 0.00 0.00 66.02 64.29 1n4p s SER 347 CO -0.09 -1.63 1.91 0.71 0.98 0.00 0.00 173.24 175.12 1n4p h THR 348 N 1.26 0.91 -0.43 2.02 1.35 -1.27 0.11 112.91 116.87 1n4p h THR 348 Ca -0.51 -0.25 0.09 0.00 -0.55 0.00 0.00 66.41 65.19 1n4p h THR 348 Cb 1.30 0.13 -0.08 0.00 -1.73 0.00 0.00 68.15 67.77 1n4p h THR 348 CO 0.56 0.13 -0.11 -0.09 -0.25 0.00 0.00 175.52 175.76 1n4p h ARG 349 N 0.72 -0.01 -0.42 4.72 2.43 -1.90 0.14 114.38 120.07 1n4p h ARG 349 Ca 0.39 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.44 1n4p h ARG 349 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1n4p h ARG 349 CO -0.16 -0.00 -0.23 1.15 -1.51 0.00 0.00 179.97 179.22 1n4p h THR 350 N -0.01 1.27 -0.31 0.20 2.02 -1.21 -1.73 112.91 113.15 1n4p h THR 350 Ca 0.21 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 1n4p h THR 350 Cb 0.32 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1n4p h THR 350 CO -0.44 0.46 -0.04 0.77 0.37 0.00 0.00 175.52 176.64 1n4p h SER 351 N 0.74 0.46 -0.30 4.18 4.64 -0.16 -0.98 113.55 122.13 1n4p h SER 351 Ca 0.10 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 1n4p h SER 351 Cb 0.76 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1n4p h SER 351 CO 0.06 0.56 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.76 1n4p h GLU 352 N 0.47 0.88 -0.01 4.77 5.08 -0.54 -1.17 114.58 124.05 1n4p h GLU 352 Ca 0.10 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1n4p h GLU 352 Cb 0.37 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1n4p h GLU 352 CO 0.02 1.16 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.99 1n4p h ARG 353 N 0.69 0.02 -0.08 2.33 1.12 -0.75 -1.02 114.38 116.69 1n4p h ARG 353 Ca 0.03 -0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.69 1n4p h ARG 353 Cb 1.09 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1n4p h ARG 353 CO 0.11 0.13 -0.79 1.25 -3.11 0.00 0.00 179.97 177.56 1n4p h LEU 354 N 0.02 0.62 0.09 3.80 5.85 -0.72 -1.66 115.31 123.31 1n4p h LEU 354 Ca 0.00 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1n4p h LEU 354 Cb 0.21 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1n4p h LEU 354 CO 0.01 1.19 -0.05 0.03 -0.34 0.00 0.00 178.44 179.28 1n4p h ARG 355 N 0.34 -0.13 -0.82 1.25 -0.00 0.02 -1.57 114.38 113.47 1n4p h ARG 355 Ca -0.05 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.45 1n4p h ARG 355 Cb 1.39 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 31.35 1n4p h ARG 355 CO 0.14 -0.09 0.54 -0.44 0.00 0.00 0.00 179.97 180.12 1n4p h ASP 356 N -0.14 0.94 0.08 7.04 3.32 -1.30 -0.30 116.42 126.05 1n4p h ASP 356 Ca -0.01 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n4p h ASP 356 Cb 0.12 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1n4p h ASP 356 CO 0.01 0.68 -0.01 0.25 -1.72 0.00 0.00 179.24 178.45 1n4p h LEU 357 N 1.11 0.00 0.14 1.55 6.46 -0.89 -1.29 115.31 122.39 1n4p h LEU 357 Ca 0.30 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.74 1n4p h LEU 357 Cb -0.13 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1n4p h LEU 357 CO -0.06 0.01 -1.59 0.45 -0.62 0.00 0.00 178.44 176.63 1n4p h HIS 358 N 0.00 0.54 0.55 1.25 3.86 -0.07 -3.30 115.15 117.98 1n4p h HIS 358 Ca -0.00 -0.40 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 1n4p h HIS 358 Cb 0.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1n4p h HIS 358 CO 0.00 1.46 -0.38 1.96 0.86 0.00 0.00 177.93 181.83 1n4p h GLN 359 N 0.08 -0.86 0.00 2.45 1.08 -0.59 -0.34 115.11 116.93 1n4p h GLN 359 Ca -0.27 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1n4p h GLN 359 Cb 2.05 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.67 1n4p h GLN 359 CO 0.17 -0.57 0.03 -1.13 -0.95 0.00 0.00 178.83 176.38 1n4p n SER 360 N -5.51 0.00 -0.09 1.46 3.41 -0.92 0.42 113.62 112.39 1n4p n SER 360 Ca -0.12 0.22 -0.17 0.00 -0.26 0.00 0.00 58.87 58.55 1n4p n SER 360 Cb 0.40 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 1n4p n SER 360 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1n4p n TRP 361 N -1.19 0.28 -0.90 7.33 8.01 -0.27 -4.50 117.44 126.21 1n4p n TRP 361 Ca 0.00 0.07 -0.22 0.00 -1.31 0.00 0.00 57.50 56.04 1n4p n TRP 361 Cb 0.03 -1.04 -0.06 0.00 -2.01 0.00 0.00 31.31 28.23 1n4p n TRP 361 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1n4p n LYS 362 N -3.19 2.30 0.00 -0.99 4.01 0.17 -5.11 118.16 115.35 1n4p n LYS 362 Ca -0.39 -1.39 0.00 0.00 -0.51 0.00 0.00 58.31 56.02 1n4p n LYS 362 Cb 1.04 -2.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1n4p n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54