#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4s s ASP 19 N 0.00 5.94 -0.60 -1.43 3.84 -1.26 -5.04 116.67 118.11 1n4s s ASP 19 Ca 0.00 0.11 -0.28 0.00 -0.00 0.00 0.00 52.55 52.38 1n4s s ASP 19 Cb 0.00 -1.71 0.03 0.00 -1.38 0.00 0.00 42.92 39.86 1n4s s ASP 19 CO 0.00 0.15 1.23 0.12 -0.00 0.00 0.00 175.17 176.67 1n4s s PHE 20 N -1.51 2.51 -1.14 2.11 5.36 -1.26 -4.93 117.98 119.13 1n4s s PHE 20 Ca 0.32 0.35 -0.14 0.00 -0.96 0.00 0.00 56.93 56.50 1n4s s PHE 20 Cb -0.12 -4.52 -0.07 0.00 -0.34 0.00 0.00 43.02 37.97 1n4s s PHE 20 CO 0.25 -1.71 2.23 1.28 -1.46 0.00 0.00 175.22 175.81 1n4s n LEU 21 N 8.73 5.85 -0.21 6.12 4.32 -1.26 -4.80 117.00 135.75 1n4s n LEU 21 Ca 0.08 -3.48 -0.04 0.00 -0.02 0.00 0.00 56.01 52.56 1n4s n LEU 21 Cb 0.49 -1.33 0.03 0.00 -1.62 0.00 0.00 43.42 40.99 1n4s n LEU 21 CO 0.71 0.69 0.66 -0.09 -1.22 0.00 0.00 177.39 178.15 1n4s h ARG 22 N 6.50 -0.11 -0.62 3.23 2.43 -1.96 -1.73 114.38 122.12 1n4s h ARG 22 Ca 0.56 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.78 1n4s h ARG 22 Cb 0.47 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1n4s h ARG 22 CO 1.79 -0.07 0.36 -0.44 -1.51 0.00 0.00 179.97 180.09 1n4s h ASP 23 N -0.12 0.55 -0.47 -3.80 3.32 -2.00 -1.35 116.42 112.56 1n4s h ASP 23 Ca 0.26 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.36 1n4s h ASP 23 Cb 0.53 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1n4s h ASP 23 CO -0.68 0.37 0.31 -0.09 -1.72 0.00 0.00 179.24 177.44 1n4s h ARG 24 N 0.69 0.49 -0.00 3.56 2.43 -1.74 -0.96 114.38 118.84 1n4s h ARG 24 Ca 0.27 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.22 1n4s h ARG 24 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1n4s h ARG 24 CO -0.14 0.32 -0.83 0.45 -1.51 0.00 0.00 179.97 178.25 1n4s h HIS 25 N 0.50 0.22 -0.52 2.20 3.86 -0.83 -1.86 115.15 118.72 1n4s h HIS 25 Ca 0.19 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1n4s h HIS 25 Cb 0.13 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1n4s h HIS 25 CO -0.00 0.91 0.18 0.28 0.86 0.00 0.00 177.93 180.17 1n4s h VAL 26 N 0.09 1.23 -0.32 2.45 2.07 -0.16 -1.41 116.25 120.20 1n4s h VAL 26 Ca -0.03 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1n4s h VAL 26 Cb 1.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1n4s h VAL 26 CO 0.12 0.28 0.15 0.03 0.02 0.00 0.00 177.57 178.17 1n4s h ARG 27 N 0.71 0.46 -0.35 1.57 -0.00 -1.20 -1.65 114.38 113.93 1n4s h ARG 27 Ca 0.17 -0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.65 1n4s h ARG 27 Cb 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 29.97 30.07 1n4s h ARG 27 CO -0.01 0.44 -0.06 0.35 0.00 0.00 0.00 179.97 180.69 1n4s h PHE 28 N 0.38 -0.13 -0.32 3.04 3.57 -1.04 -0.47 116.94 121.97 1n4s h PHE 28 Ca 0.11 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1n4s h PHE 28 Cb 0.13 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1n4s h PHE 28 CO -0.01 -0.12 -0.07 0.74 -2.23 0.00 0.00 178.31 176.61 1n4s h PHE 29 N 0.03 0.54 -0.67 0.41 0.05 -1.07 -2.29 116.94 113.95 1n4s h PHE 29 Ca 0.17 -0.07 -0.07 0.00 3.82 0.00 0.00 57.97 61.82 1n4s h PHE 29 Cb 0.25 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.02 1n4s h PHE 29 CO -0.30 0.58 0.14 1.96 -0.18 0.00 0.00 178.31 180.52 1n4s h GLN 30 N 0.48 1.09 0.00 1.51 4.20 -0.35 -2.43 115.11 119.61 1n4s h GLN 30 Ca 0.10 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1n4s h GLN 30 Cb 0.43 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1n4s h GLN 30 CO 0.02 0.98 -0.28 0.00 -0.67 0.00 0.00 178.83 178.89 1n4s h ARG 31 N 1.01 0.00 -0.25 1.46 3.08 -0.78 -2.63 114.38 116.27 1n4s h ARG 31 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1n4s h ARG 31 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1n4s h ARG 31 CO 0.01 0.28 -0.29 0.00 -1.07 0.00 0.00 179.97 178.89 1n4s n LEU 33 N -4.09 0.00 0.00 0.00 7.99 -1.00 -4.72 117.00 115.18 1n4s n LEU 33 Ca -0.01 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 1n4s n LEU 33 Cb 0.44 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1n4s n LEU 33 CO 0.43 -0.02 0.00 0.00 -1.51 0.00 0.00 177.39 176.28 1n4s n GLN 34 N -1.41 0.00 -4.75 3.23 6.02 -1.00 -5.07 117.38 114.40 1n4s n GLN 34 Ca 0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.80 1n4s n GLN 34 Cb 0.28 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.38 1n4s n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n4s s VAL 35 N 1.21 1.53 0.07 5.09 1.01 -1.25 -5.12 120.40 122.93 1n4s s VAL 35 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1n4s s VAL 35 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1n4s s VAL 35 CO 0.00 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 1n4s s LEU 36 N 0.65 3.73 0.69 3.92 1.43 -1.26 -4.99 118.68 122.86 1n4s s LEU 36 Ca -0.14 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1n4s s LEU 36 Cb -0.16 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1n4s s LEU 36 CO 0.04 0.19 1.09 -2.84 0.23 0.00 0.00 176.35 175.06 1n4s s PRO 37 N -2.27 2.70 0.53 1.29 0.02 -1.26 -4.91 135.00 131.10 1n4s s PRO 37 Ca 0.27 1.25 0.26 0.00 0.02 0.00 0.00 61.00 62.81 1n4s s PRO 37 Cb -0.12 -1.95 1.42 0.00 0.02 0.00 0.00 34.50 33.88 1n4s s PRO 37 CO 0.20 -1.31 1.77 1.49 -0.33 0.00 0.00 177.00 178.82 1n4s h GLU 38 N -0.38 0.00 0.00 5.54 4.81 -2.03 -1.36 114.58 121.16 1n4s h GLU 38 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1n4s h GLU 38 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1n4s h GLU 38 CO 0.54 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.71 1n4s n ARG 39 N -2.60 0.05 -0.69 1.92 0.00 -1.26 -1.76 116.66 112.32 1n4s n ARG 39 Ca -0.02 0.28 0.08 0.00 -0.00 0.00 0.00 57.85 58.19 1n4s n ARG 39 Cb 0.28 -1.50 0.35 0.00 -0.00 0.00 0.00 32.46 31.59 1n4s n ARG 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1n4s n TYR 40 N -1.43 1.60 0.04 2.89 4.02 -0.51 -4.61 117.16 119.16 1n4s n TYR 40 Ca 0.03 -0.70 0.18 0.00 -0.01 0.00 0.00 57.90 57.41 1n4s n TYR 40 Cb 0.11 -0.36 0.68 0.00 -0.02 0.00 0.00 39.34 39.76 1n4s n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4s h SER 41 N 3.59 0.00 0.22 7.72 4.64 -1.55 -1.26 113.55 126.91 1n4s h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n4s h SER 41 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1n4s h SER 41 CO 0.33 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.75 1n4s n SER 42 N -4.40 0.00 -0.69 4.97 3.41 -1.26 -1.86 113.62 113.79 1n4s n SER 42 Ca 0.08 -0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1n4s n SER 42 Cb 0.52 -0.20 0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1n4s n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4s n LEU 43 N -1.20 2.36 -0.26 1.04 4.77 -0.48 -4.58 117.00 118.64 1n4s n LEU 43 Ca 0.09 -0.81 -0.01 0.00 -0.03 0.00 0.00 56.01 55.25 1n4s n LEU 43 Cb 0.11 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1n4s n LEU 43 CO 0.12 0.41 0.66 -0.08 -1.33 0.00 0.00 177.39 177.17 1n4s h GLU 44 N 3.39 -0.06 0.00 3.23 4.57 -1.52 0.74 114.58 124.93 1n4s h GLU 44 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n4s h GLU 44 Cb 0.83 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1n4s h GLU 44 CO 0.00 -0.04 0.00 0.25 -1.18 0.00 0.00 179.01 178.04 1n4s n THR 45 N -5.48 0.15 -2.41 0.32 -2.24 -1.26 -3.25 114.28 100.11 1n4s n THR 45 Ca 0.08 0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1n4s n THR 45 Cb 0.38 -0.67 0.06 0.00 -2.10 0.00 0.00 70.33 68.01 1n4s n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n4s n SER 46 N -1.15 2.07 0.19 3.42 3.41 0.20 -3.94 113.62 117.82 1n4s n SER 46 Ca 0.14 -2.62 0.05 0.00 -0.26 0.00 0.00 58.87 56.18 1n4s n SER 46 Cb 0.13 -0.41 0.49 0.00 -0.26 0.00 0.00 64.21 64.16 1n4s n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1n4s h ARG 47 N 1.83 0.08 -0.58 4.33 3.08 -1.27 -2.31 114.38 119.55 1n4s h ARG 47 Ca -0.05 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1n4s h ARG 47 Cb 1.46 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1n4s h ARG 47 CO 0.24 0.22 0.18 1.25 -1.07 0.00 0.00 179.97 180.79 1n4s h LEU 48 N 0.07 0.80 -0.66 3.04 5.85 -1.59 -0.02 115.31 122.81 1n4s h LEU 48 Ca 0.02 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1n4s h LEU 48 Cb 0.29 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1n4s h LEU 48 CO 0.02 0.76 -0.38 0.71 -0.34 0.00 0.00 178.44 179.21 1n4s h THR 49 N 0.84 0.78 -0.36 1.05 1.35 -1.72 -1.06 112.91 113.79 1n4s h THR 49 Ca 0.19 -1.65 -0.13 0.00 -0.55 0.00 0.00 66.41 64.27 1n4s h THR 49 Cb 0.25 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1n4s h THR 49 CO -0.01 0.37 -0.30 0.40 -0.25 0.00 0.00 175.52 175.73 1n4s h ILE 50 N 0.00 1.28 -0.79 6.82 1.08 -1.15 -1.76 117.51 123.00 1n4s h ILE 50 Ca -0.00 -1.46 0.02 0.00 -0.39 0.00 0.00 64.86 63.02 1n4s h ILE 50 Cb 1.02 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 1n4s h ILE 50 CO 0.05 0.48 0.51 0.00 -0.69 0.00 0.00 178.15 178.51 1n4s h ALA 51 N 0.76 1.02 -0.13 1.87 0.00 -0.67 -2.15 119.26 119.95 1n4s h ALA 51 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1n4s h ALA 51 Cb 0.88 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n4s h ALA 51 CO 0.08 0.37 0.04 0.35 0.00 0.00 0.00 179.25 180.09 1n4s h PHE 52 N 1.03 0.08 -0.76 0.00 3.57 -0.88 0.40 116.94 120.38 1n4s h PHE 52 Ca 0.30 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.88 1n4s h PHE 52 Cb -0.06 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1n4s h PHE 52 CO -0.02 0.04 0.44 0.74 -2.23 0.00 0.00 178.31 177.28 1n4s h PHE 53 N 0.11 0.81 -0.11 0.41 0.05 -1.00 0.22 116.94 117.43 1n4s h PHE 53 Ca 0.06 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.80 1n4s h PHE 53 Cb 0.03 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 37.73 1n4s h PHE 53 CO -0.11 0.38 -0.21 0.00 -0.18 0.00 0.00 178.31 178.20 1n4s h ALA 54 N 1.39 0.17 -0.04 2.45 0.00 -0.95 -0.49 119.26 121.79 1n4s h ALA 54 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n4s h ALA 54 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n4s h ALA 54 CO -0.19 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.08 1n4s h LEU 55 N -0.11 0.08 -1.49 0.00 3.38 -0.02 0.04 115.31 117.19 1n4s h LEU 55 Ca 0.00 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1n4s h LEU 55 Cb 0.79 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1n4s h LEU 55 CO 0.05 0.49 -0.26 -1.28 0.09 0.00 0.00 178.44 177.52 1n4s h SER 56 N -0.32 0.00 -0.31 -0.43 0.87 -0.68 -0.52 113.55 112.15 1n4s h SER 56 Ca 0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 1n4s h SER 56 Cb 0.46 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1n4s h SER 56 CO 0.01 0.26 -0.45 1.23 -0.53 0.00 0.00 176.83 177.34 1n4s h GLY 57 N 0.94 0.93 1.68 5.77 0.00 -0.89 -0.54 103.07 110.96 1n4s h GLY 57 Ca -0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 47.33 46.18 1n4s h GLY 57 CO 0.03 0.93 -0.41 1.41 0.00 0.00 0.00 176.54 178.50 1n4s h LEU 58 N 0.64 0.38 -0.33 3.11 3.38 -0.42 -1.73 115.31 120.33 1n4s h LEU 58 Ca 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1n4s h LEU 58 Cb 1.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1n4s h LEU 58 CO 0.10 0.75 -0.00 -0.78 0.09 0.00 0.00 178.44 178.61 1n4s h ASP 59 N 0.30 0.57 0.14 -0.43 -0.00 -1.00 0.50 116.42 116.51 1n4s h ASP 59 Ca 0.03 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.03 56.72 1n4s h ASP 59 Cb 0.86 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 40.03 1n4s h ASP 59 CO 0.07 0.74 -0.11 -0.03 -0.00 0.00 0.00 179.24 179.91 1n4s h MET 60 N 0.39 0.00 -0.52 0.28 4.05 -0.83 0.12 114.93 118.42 1n4s h MET 60 Ca 0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1n4s h MET 60 Cb 0.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1n4s h MET 60 CO 0.02 0.11 0.00 1.28 0.23 0.00 0.00 176.91 178.55 1n4s n LEU 61 N -4.22 3.38 -3.73 3.39 4.77 -0.67 0.06 117.00 119.97 1n4s n LEU 61 Ca -0.03 -1.58 -0.25 0.00 -0.03 0.00 0.00 56.01 54.12 1n4s n LEU 61 Cb 0.19 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1n4s n LEU 61 CO 0.34 0.79 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.42 1n4s n ASP 62 N 1.38 -2.66 -1.35 -1.43 2.03 0.41 -4.91 116.55 110.02 1n4s n ASP 62 Ca 0.21 -0.92 0.04 0.00 0.52 0.00 0.00 54.79 54.64 1n4s n ASP 62 Cb 0.56 -3.67 0.05 0.00 -0.72 0.00 0.00 41.12 37.35 1n4s n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n4s n SER 63 N -2.93 1.15 0.00 1.67 7.64 0.15 -4.85 113.62 116.45 1n4s n SER 63 Ca -0.22 -2.35 0.05 0.00 1.01 0.00 0.00 58.87 57.35 1n4s n SER 63 Cb 0.65 -0.34 0.22 0.00 -1.01 0.00 0.00 64.21 63.72 1n4s n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n4s n LEU 64 N 0.19 0.00 0.00 -3.43 4.77 -1.24 -2.45 117.00 114.84 1n4s n LEU 64 Ca 0.08 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1n4s n LEU 64 Cb 1.06 -0.43 0.64 0.00 -2.33 0.00 0.00 43.42 42.37 1n4s n LEU 64 CO -0.04 -0.29 0.95 -0.90 -1.33 0.00 0.00 177.39 175.78 1n4s n ASP 65 N -1.43 0.00 -0.43 -1.43 5.75 -1.26 -3.23 116.55 114.52 1n4s n ASP 65 Ca 0.03 0.13 0.05 0.00 -0.01 0.00 0.00 54.79 54.99 1n4s n ASP 65 Cb 0.10 -0.37 0.19 0.00 -1.03 0.00 0.00 41.12 40.01 1n4s n ASP 65 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1n4s n VAL 66 N -1.37 0.28 -4.18 2.12 0.24 -1.03 -4.85 118.33 109.54 1n4s n VAL 66 Ca 0.10 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.96 1n4s n VAL 66 Cb 0.25 0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.68 1n4s n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1n4s s VAL 67 N -1.72 0.94 -0.83 3.34 -7.23 -1.20 -5.08 120.40 108.62 1n4s s VAL 67 Ca 0.20 -1.71 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 1n4s s VAL 67 Cb 0.10 -1.43 0.10 0.00 0.56 0.00 0.00 36.38 35.71 1n4s s VAL 67 CO 0.14 -0.60 1.09 0.21 -0.31 0.00 0.00 175.10 175.63 1n4s s ASN 68 N -2.57 6.43 0.37 4.85 3.84 -1.26 -4.88 114.94 121.73 1n4s s ASN 68 Ca 0.07 -1.56 0.13 0.00 0.21 0.00 0.00 52.86 51.71 1n4s s ASN 68 Cb -0.02 -2.42 0.94 0.00 -0.55 0.00 0.00 41.25 39.20 1n4s s ASN 68 CO -0.00 -1.26 1.83 0.11 -2.79 0.00 0.00 177.10 174.99 1n4s h LYS 69 N 9.22 0.55 -0.45 0.43 1.57 -1.93 -1.77 116.57 124.18 1n4s h LYS 69 Ca -0.02 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1n4s h LYS 69 Cb 1.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1n4s h LYS 69 CO 1.17 0.36 0.01 -0.44 -0.57 0.00 0.00 179.45 179.98 1n4s h ASP 70 N 0.56 0.78 0.09 0.86 3.32 -1.92 -0.72 116.42 119.39 1n4s h ASP 70 Ca 0.50 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1n4s h ASP 70 Cb 1.02 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1n4s h ASP 70 CO -0.24 0.89 -0.04 0.44 -1.72 0.00 0.00 179.24 178.56 1n4s h ASP 71 N 0.64 -0.10 -0.69 6.45 3.32 -1.76 -2.55 116.42 121.73 1n4s h ASP 71 Ca 0.13 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1n4s h ASP 71 Cb 0.49 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1n4s h ASP 71 CO 0.02 0.07 0.45 0.40 -1.72 0.00 0.00 179.24 178.46 1n4s h ILE 72 N -0.28 1.18 -0.63 0.35 2.04 -1.41 -1.54 117.51 117.22 1n4s h ILE 72 Ca -0.01 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1n4s h ILE 72 Cb 0.23 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1n4s h ILE 72 CO 0.02 0.18 0.21 0.40 0.00 0.00 0.00 178.15 178.95 1n4s h ILE 73 N 0.94 1.23 -0.34 -0.67 2.04 -0.97 -0.79 117.51 118.94 1n4s h ILE 73 Ca 0.25 -0.79 -0.15 0.00 1.00 0.00 0.00 64.86 65.16 1n4s h ILE 73 Cb -0.10 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1n4s h ILE 73 CO -0.05 0.31 -0.40 -0.33 0.00 0.00 0.00 178.15 177.67 1n4s h GLU 74 N 0.92 0.83 -0.37 2.37 4.39 -0.94 -1.69 114.58 120.09 1n4s h GLU 74 Ca 0.21 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1n4s h GLU 74 Cb 0.25 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1n4s h GLU 74 CO -0.01 1.08 0.23 2.35 -1.16 0.00 0.00 179.01 181.50 1n4s h TRP 75 N 0.68 0.49 -0.53 4.33 7.01 -0.90 -1.30 115.95 125.73 1n4s h TRP 75 Ca 0.05 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1n4s h TRP 75 Cb 0.97 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 1n4s h TRP 75 CO 0.06 0.35 0.30 0.82 -2.79 0.00 0.00 178.44 177.18 1n4s h ILE 76 N 0.49 1.17 0.00 2.65 2.04 -1.04 -1.90 117.51 120.92 1n4s h ILE 76 Ca 0.13 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1n4s h ILE 76 Cb 0.00 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1n4s h ILE 76 CO -0.03 0.18 -0.07 1.88 0.00 0.00 0.00 178.15 180.12 1n4s h TYR 77 N 0.71 0.00 0.00 1.37 0.05 -0.97 0.04 116.97 118.18 1n4s h TYR 77 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1n4s h TYR 77 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1n4s h TYR 77 CO -0.02 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 176.03 1n4s n SER 78 N -3.36 0.36 -0.39 3.88 3.41 -0.52 -2.46 113.62 114.53 1n4s n SER 78 Ca -0.01 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1n4s n SER 78 Cb 0.23 -0.65 0.27 0.00 -0.26 0.00 0.00 64.21 63.80 1n4s n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n4s n LEU 79 N -1.86 1.49 -4.71 1.04 4.77 -0.00 -4.63 117.00 113.10 1n4s n LEU 79 Ca 0.04 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1n4s n LEU 79 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1n4s n LEU 79 CO 0.22 0.27 0.73 -1.58 -1.33 0.00 0.00 177.39 175.70 1n4s s GLN 80 N -2.40 4.54 -0.60 3.23 0.74 -1.03 -0.24 119.66 123.91 1n4s s GLN 80 Ca 0.25 1.51 -0.22 0.00 0.05 0.00 0.00 55.36 56.94 1n4s s GLN 80 Cb 0.19 -3.42 0.06 0.00 1.10 0.00 0.00 33.01 30.94 1n4s s GLN 80 CO 0.50 -0.07 0.88 0.08 -0.55 0.00 0.00 175.29 176.12 1n4s s VAL 81 N 0.90 4.48 0.34 1.34 1.01 0.82 -4.90 120.40 124.39 1n4s s VAL 81 Ca 0.53 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1n4s s VAL 81 Cb -0.23 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 1n4s s VAL 81 CO 0.29 -1.22 0.65 -0.76 0.00 0.00 0.00 175.10 174.07 1n4s s LEU 82 N 3.66 3.95 0.45 3.92 1.43 -1.26 -3.13 118.68 127.69 1n4s s LEU 82 Ca 0.22 0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 1n4s s LEU 82 Cb -0.17 -3.75 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 1n4s s LEU 82 CO 0.13 -0.29 1.19 -2.16 0.23 0.00 0.00 176.35 175.44 1n4s s PRO 83 N -3.70 3.80 0.85 1.29 0.04 -1.26 -4.34 135.00 131.66 1n4s s PRO 83 Ca 0.47 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1n4s s PRO 83 Cb -0.10 -2.48 0.10 0.00 0.04 0.00 0.00 34.50 32.05 1n4s s PRO 83 CO 0.31 -0.54 1.11 0.95 0.04 0.00 0.00 177.00 178.87 1n4s s THR 84 N -1.48 2.62 0.24 1.26 -4.23 -1.26 -2.97 115.64 109.82 1n4s s THR 84 Ca 0.62 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 1n4s s THR 84 Cb -0.30 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 70.91 1n4s s THR 84 CO 0.37 -0.26 1.61 1.05 -0.54 0.00 0.00 174.62 176.85 1n4s h GLU 85 N -1.26 0.02 0.00 3.99 9.09 -1.95 0.81 114.58 125.28 1n4s h GLU 85 Ca -0.48 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1n4s h GLU 85 Cb 1.30 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1n4s h GLU 85 CO 0.60 0.02 0.00 -0.40 0.05 0.00 0.00 179.01 179.28 1n4s n ASP 86 N -5.47 0.00 -4.27 3.06 3.85 -1.26 -4.91 116.55 107.55 1n4s n ASP 86 Ca 0.12 -1.33 -0.35 0.00 -0.71 0.00 0.00 54.79 52.52 1n4s n ASP 86 Cb 0.44 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.16 1n4s n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n4s n ARG 87 N -0.82 -2.24 -0.19 0.11 1.74 0.28 -4.83 116.66 110.71 1n4s n ARG 87 Ca 0.15 0.28 0.11 0.00 -0.77 0.00 0.00 57.85 57.62 1n4s n ARG 87 Cb 0.07 -4.66 0.25 0.00 -1.02 0.00 0.00 32.46 27.09 1n4s n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4s n SER 88 N -2.70 3.17 -0.73 0.55 3.41 -1.26 -4.25 113.62 111.81 1n4s n SER 88 Ca -0.05 -1.95 0.06 0.00 -0.26 0.00 0.00 58.87 56.67 1n4s n SER 88 Cb 0.55 -0.25 0.16 0.00 -0.26 0.00 0.00 64.21 64.41 1n4s n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n4s n ASN 89 N 1.30 1.58 -0.26 4.04 6.94 -1.26 -4.82 115.26 122.77 1n4s n ASN 89 Ca 0.19 -3.40 -0.02 0.00 -0.02 0.00 0.00 54.58 51.33 1n4s n ASN 89 Cb 0.56 -0.47 0.10 0.00 -2.36 0.00 0.00 39.78 37.61 1n4s n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1n4s h LEU 90 N 0.89 0.70 0.00 -4.53 3.38 -1.95 -1.36 115.31 112.44 1n4s h LEU 90 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1n4s h LEU 90 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1n4s h LEU 90 CO 0.02 0.46 0.00 0.47 0.09 0.00 0.00 178.44 179.48 1n4s n ASP 91 N -4.69 0.00 -0.02 -0.43 9.92 -1.26 -1.86 116.55 118.20 1n4s n ASP 91 Ca 0.09 0.13 0.01 0.00 -0.53 0.00 0.00 54.79 54.49 1n4s n ASP 91 Cb 0.14 -0.15 0.02 0.00 -0.64 0.00 0.00 41.12 40.48 1n4s n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1n4s n ARG 92 N -1.15 2.33 -2.22 -1.24 1.74 -0.52 -4.63 116.66 110.97 1n4s n ARG 92 Ca 0.01 -1.50 -0.30 0.00 -0.77 0.00 0.00 57.85 55.29 1n4s n ARG 92 Cb 0.01 -0.99 -0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1n4s n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n4s n GLY 94 N -2.38 0.19 3.29 0.00 0.00 -1.18 -4.43 105.19 100.68 1n4s n GLY 94 Ca 0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1n4s n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4s s PHE 95 N -4.00 1.78 0.34 1.61 0.40 -1.26 -0.13 117.98 116.72 1n4s s PHE 95 Ca 0.00 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1n4s s PHE 95 Cb 0.00 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 1n4s s PHE 95 CO 0.00 0.22 0.56 1.03 0.70 0.00 0.00 175.22 177.73 1n4s s ARG 96 N -2.00 3.51 0.35 0.44 0.52 0.67 -0.84 118.95 121.60 1n4s s ARG 96 Ca 0.07 -0.25 0.19 0.00 -0.52 0.00 0.00 55.73 55.22 1n4s s ARG 96 Cb -0.10 -2.65 0.31 0.00 0.52 0.00 0.00 34.95 33.04 1n4s s ARG 96 CO 0.04 0.14 1.56 0.78 0.02 0.00 0.00 175.30 177.85 1n4s h GLY 97 N 0.90 0.00 -0.19 -3.53 0.00 -1.89 -3.46 103.07 94.90 1n4s h GLY 97 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1n4s h GLY 97 CO 0.62 0.00 0.08 -1.14 0.00 0.00 0.00 176.54 176.11 1n4s n SER 98 N -3.22 -0.20 -2.05 0.19 3.41 -1.26 -1.52 113.62 108.96 1n4s n SER 98 Ca 0.02 -1.09 -0.10 0.00 -0.26 0.00 0.00 58.87 57.44 1n4s n SER 98 Cb 0.62 0.32 0.27 0.00 -0.26 0.00 0.00 64.21 65.16 1n4s n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4s n SER 99 N -0.56 4.55 0.17 4.04 3.41 -1.26 -4.65 113.62 119.31 1n4s n SER 99 Ca -0.00 -3.28 0.10 0.00 -0.26 0.00 0.00 58.87 55.43 1n4s n SER 99 Cb 0.07 -0.77 0.55 0.00 -0.26 0.00 0.00 64.21 63.81 1n4s n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n4s n TYR 100 N -0.37 0.69 0.67 7.33 4.11 -1.26 -1.82 117.16 126.51 1n4s n TYR 100 Ca 0.45 0.36 0.13 0.00 -0.00 0.00 0.00 57.90 58.84 1n4s n TYR 100 Cb 1.45 -1.03 0.39 0.00 -0.00 0.00 0.00 39.34 40.14 1n4s n TYR 100 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1n4s n LEU 101 N -2.23 0.69 0.00 -3.48 4.77 -1.26 -4.94 117.00 110.56 1n4s n LEU 101 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1n4s n LEU 101 Cb 0.09 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1n4s n LEU 101 CO 0.09 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1n4s n GLY 102 N 1.34 0.69 3.73 -0.72 0.00 -0.75 -5.03 105.19 104.44 1n4s n GLY 102 Ca 0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1n4s n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4s s ILE 103 N -2.00 3.41 0.23 -0.61 1.01 -1.26 -4.94 121.20 117.04 1n4s s ILE 103 Ca 0.00 1.12 -0.32 0.00 0.00 0.00 0.00 60.65 61.45 1n4s s ILE 103 Cb 0.00 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1n4s s ILE 103 CO 0.00 0.15 1.44 -0.81 0.00 0.00 0.00 174.94 175.72 1n4s n PRO 104 N 3.00 2.06 -1.68 2.79 -0.04 -1.26 -4.85 135.00 135.01 1n4s n PRO 104 Ca 0.07 0.73 -0.55 0.00 -0.04 0.00 0.00 63.50 63.71 1n4s n PRO 104 Cb 0.44 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.42 1n4s n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n4s n PHE 105 N 2.18 1.97 -3.31 0.54 7.35 -1.26 -4.95 117.46 119.98 1n4s n PHE 105 Ca 0.13 0.51 -0.10 0.00 -0.76 0.00 0.00 57.45 57.22 1n4s n PHE 105 Cb 0.31 -2.45 -0.06 0.00 0.35 0.00 0.00 39.48 37.63 1n4s n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1n4s s ASN 106 N 2.93 0.41 -0.53 -2.13 2.47 -1.26 -5.05 114.94 111.78 1n4s s ASN 106 Ca 0.95 -0.62 -0.04 0.00 0.42 0.00 0.00 52.86 53.57 1n4s s ASN 106 Cb -1.01 1.06 -0.03 0.00 -1.45 0.00 0.00 41.25 39.82 1n4s s ASN 106 CO 0.60 -0.33 1.64 -0.81 -3.72 0.00 0.00 177.10 174.49 1n4s n PRO 107 N 5.11 1.20 -4.06 0.43 -0.04 -1.26 -4.07 135.00 132.31 1n4s n PRO 107 Ca 0.03 -1.06 -0.31 0.00 -0.04 0.00 0.00 63.50 62.12 1n4s n PRO 107 Cb 0.49 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 1n4s n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n4s n SER 108 N 4.59 -2.74 0.00 3.54 7.64 -1.13 -4.74 113.62 120.78 1n4s n SER 108 Ca 0.26 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1n4s n SER 108 Cb 0.08 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 1n4s n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n4s n LYS 109 N -4.46 0.00 -1.41 1.43 5.02 -1.26 -5.01 118.16 112.47 1n4s n LYS 109 Ca -0.05 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 1n4s n LYS 109 Cb 0.56 -0.17 0.18 0.00 -0.02 0.00 0.00 35.03 35.58 1n4s n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n4s s ASN 110 N -1.15 2.55 0.83 4.39 0.01 -1.26 -5.05 114.94 115.26 1n4s s ASN 110 Ca 0.00 0.78 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 1n4s s ASN 110 Cb 0.00 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1n4s s ASN 110 CO 0.00 -3.13 0.00 -0.81 -1.51 0.00 0.00 177.10 171.65 1n4s n PRO 111 N -4.12 -1.04 -3.21 -0.60 -0.04 -1.26 -4.98 135.00 119.75 1n4s n PRO 111 Ca 0.10 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 1n4s n PRO 111 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.99 1n4s n PRO 111 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1n4s s GLY 112 N -2.05 2.68 -0.52 0.55 0.00 -1.16 -4.98 107.32 101.85 1n4s s GLY 112 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.60 1n4s s GLY 112 CO 0.00 0.62 0.69 -0.51 0.00 0.00 0.00 173.10 173.90 1n4s s THR 113 N -0.78 4.78 0.15 0.90 -4.23 -1.26 -4.51 115.64 110.68 1n4s s THR 113 Ca 0.31 -0.34 -0.33 0.00 -1.18 0.00 0.00 61.69 60.15 1n4s s THR 113 Cb -0.20 -4.35 -0.17 0.00 1.34 0.00 0.00 72.50 69.13 1n4s s THR 113 CO 0.19 -0.87 1.01 0.00 -0.54 0.00 0.00 174.62 174.41 1n4s n ALA 114 N 6.43 -1.75 -3.69 3.99 0.00 -1.26 -5.00 120.51 119.23 1n4s n ALA 114 Ca -0.05 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 1n4s n ALA 114 Cb 0.46 -1.89 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 1n4s n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1n4s s HIS 115 N -0.35 -0.63 0.48 0.00 5.04 -1.26 -5.06 115.29 113.50 1n4s s HIS 115 Ca 0.74 1.34 0.27 0.00 -1.54 0.00 0.00 55.06 55.87 1n4s s HIS 115 Cb -0.94 0.28 1.33 0.00 0.04 0.00 0.00 32.58 33.29 1n4s s HIS 115 CO 0.54 -0.36 1.84 -1.35 -2.34 0.00 0.00 174.74 173.07 1n4s h PRO 116 N 7.19 0.16 0.00 2.88 0.11 -2.05 -2.98 132.00 137.32 1n4s h PRO 116 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n4s h PRO 116 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n4s h PRO 116 CO 0.28 0.11 -0.04 0.66 -0.21 0.00 0.00 178.00 178.79 1n4s n TYR 117 N -4.38 0.00 -3.13 0.65 4.01 -1.26 -5.03 117.16 108.03 1n4s n TYR 117 Ca 0.22 -0.52 -0.40 0.00 -0.16 0.00 0.00 57.90 57.04 1n4s n TYR 117 Cb 0.96 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.86 1n4s n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n4s s ASP 118 N -1.37 6.66 0.25 7.72 2.15 -1.13 -5.02 116.67 125.92 1n4s s ASP 118 Ca 0.09 0.80 -0.19 0.00 0.43 0.00 0.00 52.55 53.68 1n4s s ASP 118 Cb 0.08 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.38 1n4s s ASP 118 CO 0.01 -0.29 0.62 -0.94 -0.17 0.00 0.00 175.17 174.40 1n4s s SER 119 N 1.25 -0.25 0.80 -0.34 1.04 -1.26 -4.89 113.70 110.04 1n4s s SER 119 Ca 0.28 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 56.01 1n4s s SER 119 Cb -0.16 0.66 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1n4s s SER 119 CO 0.10 -1.22 1.14 -0.83 0.98 0.00 0.00 173.24 173.41 1n4s s GLY 120 N -2.92 1.68 -0.09 7.32 0.00 -0.51 -4.64 107.32 108.17 1n4s s GLY 120 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1n4s s GLY 120 CO 0.04 -0.42 -0.08 -1.58 0.00 0.00 0.00 173.10 171.06 1n4s s HIS 121 N -3.49 1.31 0.28 1.90 5.04 -0.02 -4.59 115.29 115.73 1n4s s HIS 121 Ca 0.64 -0.57 0.02 0.00 -1.54 0.00 0.00 55.06 53.61 1n4s s HIS 121 Cb -0.09 -1.08 0.68 0.00 0.04 0.00 0.00 32.58 32.13 1n4s s HIS 121 CO 0.48 -0.39 1.67 0.97 -2.34 0.00 0.00 174.74 175.12 1n4s h ILE 122 N 6.13 0.39 0.00 0.89 2.10 -1.12 0.35 117.51 126.26 1n4s h ILE 122 Ca -0.30 -0.09 -0.04 0.00 1.08 0.00 0.00 64.86 65.50 1n4s h ILE 122 Cb 1.15 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 1n4s h ILE 122 CO 0.42 0.05 -0.20 0.00 -1.08 0.00 0.00 178.15 177.34 1n4s h ALA 123 N 1.73 1.13 0.15 0.18 0.00 -1.95 -1.32 119.26 119.19 1n4s h ALA 123 Ca 0.53 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.95 1n4s h ALA 123 Cb 1.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1n4s h ALA 123 CO -0.59 0.25 -1.51 0.52 0.00 0.00 0.00 179.25 177.92 1n4s h MET 124 N 0.00 0.33 -0.72 0.00 2.86 -0.70 -1.68 114.93 115.02 1n4s h MET 124 Ca -0.00 -0.56 -0.03 0.00 -2.06 0.00 0.00 59.70 57.05 1n4s h MET 124 Cb 0.59 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1n4s h MET 124 CO 0.03 1.22 0.34 1.15 1.06 0.00 0.00 176.91 180.71 1n4s h THR 125 N 0.09 1.24 0.82 2.22 2.02 -0.63 0.40 112.91 119.07 1n4s h THR 125 Ca -0.24 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1n4s h THR 125 Cb 2.05 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1n4s h THR 125 CO 0.19 0.28 -0.39 0.22 0.37 0.00 0.00 175.52 176.19 1n4s h TYR 126 N 1.00 -1.02 -0.03 3.16 3.20 -1.28 -1.83 116.97 120.17 1n4s h TYR 126 Ca 0.25 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1n4s h TYR 126 Cb 0.13 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1n4s h TYR 126 CO 0.01 -0.63 -0.09 1.79 -1.64 0.00 0.00 178.16 177.59 1n4s h THR 127 N -1.27 1.09 0.50 1.81 1.35 -1.25 -1.17 112.91 113.97 1n4s h THR 127 Ca -0.11 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 1n4s h THR 127 Cb 0.84 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1n4s h THR 127 CO 0.18 0.12 -0.24 1.23 -0.25 0.00 0.00 175.52 176.56 1n4s h GLY 128 N 0.38 -0.70 0.72 5.82 0.00 -0.14 0.99 103.07 110.13 1n4s h GLY 128 Ca 0.01 0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1n4s h GLY 128 CO 0.01 -0.25 0.31 1.41 0.00 0.00 0.00 176.54 178.02 1n4s h LEU 129 N -0.89 0.46 -0.68 3.11 3.38 -1.17 -1.18 115.31 118.34 1n4s h LEU 129 Ca -0.07 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1n4s h LEU 129 Cb 0.60 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1n4s h LEU 129 CO 0.11 0.31 0.39 -1.28 0.09 0.00 0.00 178.44 178.06 1n4s h SER 130 N 0.60 0.59 -0.57 -0.43 0.87 -1.14 -1.87 113.55 111.60 1n4s h SER 130 Ca 0.26 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1n4s h SER 130 Cb 0.14 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1n4s h SER 130 CO -0.16 0.39 0.14 0.00 -0.53 0.00 0.00 176.83 176.67 1n4s h LEU 132 N 0.82 0.43 -0.63 0.00 3.38 -0.77 -0.23 115.31 118.30 1n4s h LEU 132 Ca 0.18 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1n4s h LEU 132 Cb 0.34 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1n4s h LEU 132 CO 0.00 0.30 0.26 0.40 0.09 0.00 0.00 178.44 179.49 1n4s h ILE 133 N 0.55 1.23 -0.86 1.22 2.04 -1.16 -1.10 117.51 119.43 1n4s h ILE 133 Ca 0.21 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1n4s h ILE 133 Cb 0.08 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1n4s h ILE 133 CO -0.12 0.28 0.48 0.40 0.00 0.00 0.00 178.15 179.19 1n4s h ILE 134 N 0.89 1.25 0.00 -0.67 2.04 -0.79 -2.18 117.51 118.04 1n4s h ILE 134 Ca 0.21 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1n4s h ILE 134 Cb 0.20 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1n4s h ILE 134 CO -0.02 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.59 1n4s n LEU 135 N -4.34 0.00 0.00 1.44 4.77 -0.15 -4.89 117.00 113.83 1n4s n LEU 135 Ca 0.09 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1n4s n LEU 135 Cb 0.09 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1n4s n LEU 135 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1n4s n GLY 136 N 0.88 0.59 3.74 -0.72 0.00 -0.82 -4.95 105.19 103.91 1n4s n GLY 136 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1n4s n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n4s s ASP 137 N -2.95 4.23 0.00 1.61 -1.08 -0.46 -4.95 116.67 113.07 1n4s s ASP 137 Ca 0.00 2.05 0.20 0.00 -0.52 0.00 0.00 52.55 54.28 1n4s s ASP 137 Cb 0.00 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.39 1n4s s ASP 137 CO 0.00 -2.23 1.40 -0.90 0.52 0.00 0.00 175.17 173.97 1n4s n ASP 138 N -3.28 3.51 -0.93 -0.34 5.68 -1.26 -4.50 116.55 115.42 1n4s n ASP 138 Ca 0.11 -1.97 -0.12 0.00 -0.50 0.00 0.00 54.79 52.31 1n4s n ASP 138 Cb 0.52 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 1n4s n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n4s n LEU 139 N 1.36 -0.68 0.20 -2.12 4.32 -1.26 -4.87 117.00 113.95 1n4s n LEU 139 Ca 0.20 0.30 0.04 0.00 -0.02 0.00 0.00 56.01 56.53 1n4s n LEU 139 Cb 0.57 -2.29 0.43 0.00 -1.62 0.00 0.00 43.42 40.51 1n4s n LEU 139 CO 0.14 -0.84 0.79 0.77 -1.22 0.00 0.00 177.39 177.03 1n4s h SER 140 N 0.00 0.00 -0.07 -1.43 4.64 -2.02 -2.31 113.55 112.36 1n4s h SER 140 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1n4s h SER 140 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1n4s h SER 140 CO 0.36 0.30 0.00 0.54 -0.87 0.00 0.00 176.83 177.17 1n4s n ARG 141 N -4.07 1.41 -3.15 4.77 1.74 -1.26 -4.81 116.66 111.29 1n4s n ARG 141 Ca -0.02 -0.61 -0.39 0.00 -0.77 0.00 0.00 57.85 56.06 1n4s n ARG 141 Cb 0.36 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1n4s n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4s s VAL 142 N -1.92 5.07 -1.16 1.55 1.01 -0.87 -4.97 120.40 119.12 1n4s s VAL 142 Ca 0.34 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 1n4s s VAL 142 Cb 0.17 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1n4s s VAL 142 CO 0.28 0.20 1.53 -0.62 0.00 0.00 0.00 175.10 176.49 1n4s s ASP 143 N 0.95 6.75 0.21 3.32 -1.08 -1.26 -4.83 116.67 120.73 1n4s s ASP 143 Ca 0.30 -2.19 -0.11 0.00 -0.52 0.00 0.00 52.55 50.03 1n4s s ASP 143 Cb -0.16 -2.53 0.27 0.00 -1.46 0.00 0.00 42.92 39.05 1n4s s ASP 143 CO 0.12 -1.19 1.68 0.11 0.52 0.00 0.00 175.17 176.42 1n4s h LYS 144 N 8.32 0.16 -0.35 4.34 1.57 -1.93 -1.19 116.57 127.49 1n4s h LYS 144 Ca 0.32 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1n4s h LYS 144 Cb 0.93 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1n4s h LYS 144 CO 1.37 0.11 0.04 0.93 -0.57 0.00 0.00 179.45 181.32 1n4s h GLU 145 N 0.17 0.53 -0.24 3.15 4.39 -1.99 -1.54 114.58 119.05 1n4s h GLU 145 Ca 0.30 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 1n4s h GLU 145 Cb 0.47 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1n4s h GLU 145 CO -0.46 0.53 -0.04 0.00 -1.16 0.00 0.00 179.01 177.89 1n4s h ALA 146 N 1.53 0.32 -0.56 3.43 0.00 -1.65 -1.25 119.26 121.08 1n4s h ALA 146 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1n4s h ALA 146 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1n4s h ALA 146 CO 0.00 0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.71 1n4s h LEU 148 N 0.74 0.50 -0.46 0.00 3.38 -1.22 0.99 115.31 119.25 1n4s h LEU 148 Ca 0.21 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1n4s h LEU 148 Cb -0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1n4s h LEU 148 CO -0.05 0.63 -0.05 0.00 0.09 0.00 0.00 178.44 179.06 1n4s h ALA 149 N 1.42 0.62 -0.77 1.53 0.00 -0.68 -0.96 119.26 120.43 1n4s h ALA 149 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1n4s h ALA 149 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1n4s h ALA 149 CO 0.02 0.47 0.28 0.78 0.00 0.00 0.00 179.25 180.80 1n4s h GLY 150 N 0.69 1.25 0.93 0.00 0.00 -0.42 -2.64 103.07 102.88 1n4s h GLY 150 Ca 0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1n4s h GLY 150 CO 0.03 0.67 -0.10 -2.00 0.00 0.00 0.00 176.54 175.14 1n4s h LEU 151 N 1.13 -0.23 -0.84 3.11 6.46 -0.51 -2.83 115.31 121.60 1n4s h LEU 151 Ca 0.25 -0.05 0.16 0.00 -0.12 0.00 0.00 57.88 58.13 1n4s h LEU 151 Cb 0.26 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.14 1n4s h LEU 151 CO -0.02 -0.10 0.40 0.03 -0.62 0.00 0.00 178.44 178.13 1n4s h ARG 152 N -0.34 0.52 0.00 1.25 3.08 -0.92 0.22 114.38 118.19 1n4s h ARG 152 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1n4s h ARG 152 Cb 0.26 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1n4s h ARG 152 CO 0.05 0.34 -0.03 0.00 -1.07 0.00 0.00 179.97 179.26 1n4s h ALA 153 N 1.59 1.48 0.00 0.04 0.00 -1.23 -2.51 119.26 118.65 1n4s h ALA 153 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1n4s h ALA 153 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n4s h ALA 153 CO -0.41 0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 178.75 1n4s h LEU 154 N 0.00 0.00 -9.57 0.00 3.38 -0.82 -3.46 115.31 104.84 1n4s h LEU 154 Ca -0.00 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 1n4s h LEU 154 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1n4s h LEU 154 CO 0.00 0.01 0.43 -1.58 0.09 0.00 0.00 178.44 177.39 1n4s s GLN 155 N -3.13 4.61 0.62 1.13 0.74 -0.95 -1.57 119.66 121.12 1n4s s GLN 155 Ca 0.10 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1n4s s GLN 155 Cb 0.11 -3.34 0.07 0.00 1.10 0.00 0.00 33.01 30.94 1n4s s GLN 155 CO 0.62 0.07 0.87 -0.51 -0.55 0.00 0.00 175.29 175.79 1n4s s LEU 156 N 0.10 3.13 0.27 3.68 1.43 0.17 -4.98 118.68 122.49 1n4s s LEU 156 Ca 0.50 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1n4s s LEU 156 Cb -0.26 -2.58 0.41 0.00 0.03 0.00 0.00 46.19 43.79 1n4s s LEU 156 CO 0.31 -1.42 1.89 1.05 0.23 0.00 0.00 176.35 178.42 1n4s h GLU 157 N -0.18 1.15 0.00 1.70 4.11 -1.97 -1.49 114.58 117.90 1n4s h GLU 157 Ca -0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1n4s h GLU 157 Cb 1.29 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1n4s h GLU 157 CO 0.49 0.76 0.00 -0.40 0.07 0.00 0.00 179.01 179.93 1n4s n ASP 158 N -4.49 0.00 0.00 3.06 3.85 -1.26 -4.87 116.55 112.84 1n4s n ASP 158 Ca 0.15 -0.76 0.00 0.00 -0.71 0.00 0.00 54.79 53.47 1n4s n ASP 158 Cb 0.17 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 1n4s n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n4s n GLY 159 N 0.43 2.29 3.51 6.12 0.00 -0.56 -4.02 105.19 112.96 1n4s n GLY 159 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1n4s n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4s n SER 160 N 0.00 0.28 -4.31 1.61 3.41 -1.26 -3.92 113.62 109.43 1n4s n SER 160 Ca 0.00 -1.54 -0.19 0.00 -0.26 0.00 0.00 58.87 56.88 1n4s n SER 160 Cb 0.00 -0.87 -0.11 0.00 -0.26 0.00 0.00 64.21 62.98 1n4s n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n4s s PHE 161 N -3.49 1.65 0.38 7.33 0.40 -1.26 -0.66 117.98 122.33 1n4s s PHE 161 Ca 0.67 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 1n4s s PHE 161 Cb -0.02 -0.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 1n4s s PHE 161 CO 0.47 0.28 0.47 0.00 0.70 0.00 0.00 175.22 177.13 1n4s h ALA 163 N 0.87 0.66 -3.17 0.00 0.00 -1.89 -3.44 119.26 112.28 1n4s h ALA 163 Ca -0.43 -1.42 -0.24 0.00 0.00 0.00 0.00 54.91 52.82 1n4s h ALA 163 Cb 1.27 0.51 -0.22 0.00 0.00 0.00 0.00 17.79 19.35 1n4s h ALA 163 CO 0.51 1.49 -0.72 0.14 0.00 0.00 0.00 179.25 180.67 1n4s s VAL 164 N -2.59 0.38 0.56 0.00 -7.23 -1.26 -0.54 120.40 109.71 1n4s s VAL 164 Ca -0.09 -0.94 0.24 0.00 -1.81 0.00 0.00 61.98 59.38 1n4s s VAL 164 Cb 0.08 -0.47 0.33 0.00 0.56 0.00 0.00 36.38 36.88 1n4s s VAL 164 CO 0.81 -0.38 2.15 1.55 -0.31 0.00 0.00 175.10 178.93 1n4s h PRO 165 N 4.69 0.00 0.00 4.82 0.13 -1.86 -0.32 132.00 139.46 1n4s h PRO 165 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1n4s h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n4s h PRO 165 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1n4s n GLU 166 N -4.16 0.15 0.00 0.86 4.71 -1.26 -4.96 120.64 115.98 1n4s n GLU 166 Ca -0.01 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 1n4s n GLU 166 Cb 0.20 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.82 1n4s n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n4s n GLY 167 N -0.14 2.69 1.24 0.62 0.00 -0.13 -5.17 105.19 104.30 1n4s n GLY 167 Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1n4s n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4s n SER 168 N 0.00 -0.45 -4.77 1.61 3.41 -1.26 -4.73 113.62 107.42 1n4s n SER 168 Ca 0.00 -1.17 -0.33 0.00 -0.26 0.00 0.00 58.87 57.11 1n4s n SER 168 Cb 0.00 0.72 0.05 0.00 -0.26 0.00 0.00 64.21 64.72 1n4s n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n4s s GLU 169 N -2.01 2.79 -0.04 4.33 1.03 -1.26 -4.86 118.70 118.68 1n4s s GLU 169 Ca 0.08 1.35 0.03 0.00 0.03 0.00 0.00 54.97 56.46 1n4s s GLU 169 Cb -0.01 -1.95 0.01 0.00 -0.80 0.00 0.00 34.13 31.38 1n4s s GLU 169 CO 0.01 -1.25 -0.11 0.54 -1.33 0.00 0.00 175.26 173.12 1n4s s ASN 170 N -2.69 1.49 0.15 0.83 4.22 -1.26 -4.16 114.94 113.51 1n4s s ASN 170 Ca 0.66 -0.24 -0.14 0.00 -2.14 0.00 0.00 52.86 51.00 1n4s s ASN 170 Cb -0.20 -0.52 0.05 0.00 1.28 0.00 0.00 41.25 41.87 1n4s s ASN 170 CO 0.43 0.06 0.67 -0.90 -2.04 0.00 0.00 177.10 175.32 1n4s n ASP 171 N 3.48 -1.25 -0.32 3.54 5.68 -1.20 -4.94 116.55 121.54 1n4s n ASP 171 Ca -0.20 -1.70 0.15 0.00 -0.50 0.00 0.00 54.79 52.54 1n4s n ASP 171 Cb 0.53 2.04 0.38 0.00 -1.14 0.00 0.00 41.12 42.94 1n4s n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1n4s h MET 172 N 0.00 0.63 -0.72 0.11 1.85 -1.77 -2.20 114.93 112.84 1n4s h MET 172 Ca -0.19 -0.04 0.15 0.00 -0.61 0.00 0.00 59.70 59.00 1n4s h MET 172 Cb 0.82 -0.14 -0.10 0.00 0.43 0.00 0.00 31.60 32.61 1n4s h MET 172 CO 0.26 0.42 0.21 0.00 -0.40 0.00 0.00 176.91 177.40 1n4s h ARG 173 N 0.65 0.32 0.00 0.39 3.08 -1.93 -0.56 114.38 116.33 1n4s h ARG 173 Ca 0.54 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.56 1n4s h ARG 173 Cb 0.99 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1n4s h ARG 173 CO -0.31 0.21 -0.08 0.74 -1.07 0.00 0.00 179.97 179.46 1n4s h PHE 174 N 0.33 0.00 -0.51 3.04 0.05 -1.69 -2.58 116.94 115.58 1n4s h PHE 174 Ca 0.40 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 62.06 1n4s h PHE 174 Cb 0.64 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 1n4s h PHE 174 CO -0.23 0.08 -0.18 0.28 -0.18 0.00 0.00 178.31 178.09 1n4s h VAL 175 N 0.00 1.27 -0.60 -0.55 2.07 -1.06 -0.85 116.25 116.53 1n4s h VAL 175 Ca -0.00 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 1n4s h VAL 175 Cb 0.94 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1n4s h VAL 175 CO 0.01 0.47 0.10 0.22 0.02 0.00 0.00 177.57 178.39 1n4s h TYR 176 N 0.88 1.06 -0.32 1.57 3.20 -1.18 -0.94 116.97 121.26 1n4s h TYR 176 Ca 0.12 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1n4s h TYR 176 Cb 0.75 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1n4s h TYR 176 CO 0.05 0.92 0.17 0.00 -1.64 0.00 0.00 178.16 177.65 1n4s h ALA 178 N 1.03 0.59 -0.43 0.00 0.00 -0.97 -0.87 119.26 118.60 1n4s h ALA 178 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n4s h ALA 178 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1n4s h ALA 178 CO -0.02 -0.03 0.26 0.77 0.00 0.00 0.00 179.25 180.24 1n4s h SER 179 N 0.56 0.43 -0.80 0.00 0.02 -0.81 -1.16 113.55 111.78 1n4s h SER 179 Ca 0.18 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1n4s h SER 179 Cb 0.00 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1n4s h SER 179 CO -0.08 0.31 0.37 0.00 -1.14 0.00 0.00 176.83 176.29 1n4s h ILE 181 N 1.14 1.00 -0.88 0.00 2.04 -0.80 0.47 117.51 120.49 1n4s h ILE 181 Ca 0.27 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1n4s h ILE 181 Cb 0.14 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1n4s h ILE 181 CO -0.03 0.08 0.58 0.00 0.00 0.00 0.00 178.15 178.77 1n4s h TYR 183 N 1.10 0.28 -0.61 0.00 3.20 -0.85 0.04 116.97 120.13 1n4s h TYR 183 Ca 0.35 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 1n4s h TYR 183 Cb 0.02 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1n4s h TYR 183 CO -0.00 0.48 0.05 0.52 -1.64 0.00 0.00 178.16 177.57 1n4s h MET 184 N -0.00 1.03 -0.07 1.82 2.86 -0.46 -1.21 114.93 118.89 1n4s h MET 184 Ca 0.04 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1n4s h MET 184 Cb 0.37 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1n4s h MET 184 CO 0.01 0.98 0.00 1.28 1.06 0.00 0.00 176.91 180.23 1n4s n LEU 185 N -4.20 0.68 -4.21 1.22 4.77 -0.02 -4.90 117.00 110.33 1n4s n LEU 185 Ca 0.04 -0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.43 1n4s n LEU 185 Cb 0.31 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1n4s n LEU 185 CO 0.43 0.14 -0.39 -3.20 -1.33 0.00 0.00 177.39 173.05 1n4s n ASN 186 N -0.32 0.42 -3.43 -1.43 5.15 -0.25 -4.93 115.26 110.47 1n4s n ASN 186 Ca 0.14 -1.19 -0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1n4s n ASN 186 Cb 0.17 -2.06 -0.04 0.00 -0.53 0.00 0.00 39.78 37.32 1n4s n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1n4s s ASN 187 N -4.33 -1.05 -0.10 1.20 3.84 -0.17 -5.03 114.94 109.32 1n4s s ASN 187 Ca 0.04 1.14 0.11 0.00 0.21 0.00 0.00 52.86 54.36 1n4s s ASN 187 Cb -0.02 2.07 0.50 0.00 -0.55 0.00 0.00 41.25 43.24 1n4s s ASN 187 CO 0.97 -0.24 1.34 0.79 -2.79 0.00 0.00 177.10 177.16 1n4s n TRP 188 N 5.43 1.10 0.81 0.43 7.02 -1.26 -4.03 117.44 126.94 1n4s n TRP 188 Ca -0.07 -0.42 0.09 0.00 -1.02 0.00 0.00 57.50 56.08 1n4s n TRP 188 Cb 0.50 -0.23 0.44 0.00 -2.42 0.00 0.00 31.31 29.61 1n4s n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1n4s n SER 189 N 0.61 0.00 0.00 -0.99 3.41 -1.26 -2.56 113.62 112.83 1n4s n SER 189 Ca 0.18 0.12 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1n4s n SER 189 Cb 0.70 -0.33 0.39 0.00 -0.26 0.00 0.00 64.21 64.71 1n4s n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4s n GLY 190 N 0.29 -1.13 3.37 5.00 0.00 -1.26 -4.82 105.19 106.64 1n4s n GLY 190 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1n4s n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1n4s s MET 191 N -3.00 1.16 -0.86 1.61 0.23 -1.06 -2.59 119.30 114.78 1n4s s MET 191 Ca 0.09 -0.85 -0.16 0.00 -1.03 0.00 0.00 55.69 53.73 1n4s s MET 191 Cb 0.12 0.46 0.17 0.00 -1.53 0.00 0.00 34.83 34.05 1n4s s MET 191 CO 0.34 -0.46 0.92 0.34 -2.03 0.00 0.00 175.02 174.13 1n4s s ASP 192 N -2.86 6.67 0.31 -1.18 3.68 -1.26 -4.91 116.67 117.13 1n4s s ASP 192 Ca 0.07 -2.34 0.07 0.00 2.13 0.00 0.00 52.55 52.48 1n4s s ASP 192 Cb 0.01 -2.30 0.76 0.00 -1.45 0.00 0.00 42.92 39.95 1n4s s ASP 192 CO -0.07 -0.82 1.78 -0.03 0.13 0.00 0.00 175.17 176.16 1n4s h MET 193 N 8.32 0.72 -0.70 4.34 1.85 -1.98 -1.51 114.93 125.97 1n4s h MET 193 Ca 0.11 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 1n4s h MET 193 Cb 1.04 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.86 1n4s h MET 193 CO 0.93 0.48 0.45 -0.22 -0.40 0.00 0.00 176.91 178.14 1n4s h LYS 194 N 0.75 0.86 -0.17 0.39 3.11 -2.00 -0.60 116.57 118.91 1n4s h LYS 194 Ca 0.57 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 58.19 1n4s h LYS 194 Cb 0.92 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1n4s h LYS 194 CO -0.37 0.57 -0.60 0.87 -2.81 0.00 0.00 179.45 177.12 1n4s h LYS 195 N 0.89 0.55 -0.55 1.90 1.57 -1.67 -2.28 116.57 116.99 1n4s h LYS 195 Ca 0.27 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1n4s h LYS 195 Cb -0.03 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1n4s h LYS 195 CO -0.09 0.99 0.18 0.00 -0.57 0.00 0.00 179.45 179.96 1n4s h ALA 196 N 0.93 0.72 -0.79 3.86 0.00 -1.04 -1.13 119.26 121.81 1n4s h ALA 196 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1n4s h ALA 196 Cb 1.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1n4s h ALA 196 CO 0.11 0.37 0.39 0.82 0.00 0.00 0.00 179.25 180.95 1n4s h ILE 197 N 0.76 1.24 -0.64 0.00 2.04 -1.06 -1.10 117.51 118.76 1n4s h ILE 197 Ca 0.18 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1n4s h ILE 197 Cb 0.27 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1n4s h ILE 197 CO -0.01 0.29 0.29 -1.28 0.00 0.00 0.00 178.15 177.44 1n4s h SER 198 N 1.12 0.84 -0.48 1.72 0.87 -0.95 -0.65 113.55 116.03 1n4s h SER 198 Ca 0.28 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1n4s h SER 198 Cb 0.09 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1n4s h SER 198 CO -0.04 0.75 0.25 0.22 -0.53 0.00 0.00 176.83 177.48 1n4s h TYR 199 N 0.88 0.67 -0.54 2.24 3.20 -0.57 -1.14 116.97 121.71 1n4s h TYR 199 Ca 0.22 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1n4s h TYR 199 Cb 0.14 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1n4s h TYR 199 CO 0.00 0.52 0.31 0.82 -1.64 0.00 0.00 178.16 178.17 1n4s h ILE 200 N 0.63 1.17 -0.36 1.81 2.04 -0.79 -2.44 117.51 119.57 1n4s h ILE 200 Ca 0.17 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1n4s h ILE 200 Cb 0.08 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1n4s h ILE 200 CO -0.02 0.18 0.17 0.03 0.00 0.00 0.00 178.15 178.51 1n4s h ARG 201 N 0.72 0.51 0.00 2.37 3.08 -0.89 -2.56 114.38 117.62 1n4s h ARG 201 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1n4s h ARG 201 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1n4s h ARG 201 CO -0.03 0.46 0.00 0.54 -1.07 0.00 0.00 179.97 179.87 1n4s n ARG 202 N -4.73 0.02 0.00 0.04 1.74 -0.45 -1.75 116.66 111.53 1n4s n ARG 202 Ca -0.01 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1n4s n ARG 202 Cb 0.11 -1.55 0.37 0.00 -1.02 0.00 0.00 32.46 30.36 1n4s n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n4s n SER 203 N -1.60 0.82 -4.69 0.55 3.41 -0.94 -3.96 113.62 107.20 1n4s n SER 203 Ca 0.02 -0.67 -0.42 0.00 -0.26 0.00 0.00 58.87 57.53 1n4s n SER 203 Cb 0.10 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1n4s n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1n4s s MET 204 N -2.63 4.24 0.75 4.33 -2.45 -0.72 -1.39 119.30 121.43 1n4s s MET 204 Ca 0.21 2.17 -0.08 0.00 -1.25 0.00 0.00 55.69 56.74 1n4s s MET 204 Cb 0.19 -3.54 0.08 0.00 1.25 0.00 0.00 34.83 32.81 1n4s s MET 204 CO 0.56 -0.64 1.07 0.45 1.05 0.00 0.00 175.02 177.51 1n4s s SER 205 N 2.03 4.58 0.51 1.11 0.15 -0.29 -4.87 113.70 116.92 1n4s s SER 205 Ca 0.69 0.44 0.29 0.00 0.70 0.00 0.00 55.95 58.07 1n4s s SER 205 Cb -0.36 -0.99 1.34 0.00 -1.71 0.00 0.00 66.02 64.29 1n4s s SER 205 CO 0.30 -1.77 2.00 0.10 1.20 0.00 0.00 173.24 175.07 1n4s h TYR 206 N -0.77 0.00 -0.23 3.44 -0.00 -1.94 -1.26 116.97 116.22 1n4s h TYR 206 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1n4s h TYR 206 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1n4s h TYR 206 CO 0.16 0.13 0.00 -0.40 -0.00 0.00 0.00 178.16 178.05 1n4s n ASP 207 N -3.42 1.62 0.00 0.10 3.85 -1.26 -4.94 116.55 112.50 1n4s n ASP 207 Ca -0.01 -1.82 0.00 0.00 -0.71 0.00 0.00 54.79 52.25 1n4s n ASP 207 Cb 0.30 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 1n4s n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1n4s n ASN 208 N 0.33 0.00 -4.30 -1.12 3.02 -0.47 -4.78 115.26 107.92 1n4s n ASN 208 Ca 0.14 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 1n4s n ASN 208 Cb 0.29 -0.22 0.14 0.00 -0.61 0.00 0.00 39.78 39.39 1n4s n ASN 208 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n4s n GLY 209 N -2.00 -0.03 3.57 7.41 0.00 -1.26 -4.17 105.19 108.70 1n4s n GLY 209 Ca 0.00 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1n4s n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4s s LEU 210 N 0.00 3.25 0.00 0.99 1.02 -1.26 -1.13 118.68 121.54 1n4s s LEU 210 Ca 0.68 -0.04 0.09 0.00 0.02 0.00 0.00 54.13 54.88 1n4s s LEU 210 Cb -0.03 -1.74 0.09 0.00 0.02 0.00 0.00 46.19 44.53 1n4s s LEU 210 CO 0.46 0.30 0.71 0.00 0.02 0.00 0.00 176.35 177.84 1n4s n ALA 211 N 2.67 1.15 0.22 4.21 0.00 -0.49 -1.01 120.51 127.27 1n4s n ALA 211 Ca -0.18 -2.16 0.08 0.00 0.00 0.00 0.00 53.44 51.19 1n4s n ALA 211 Cb 0.53 0.67 0.52 0.00 0.00 0.00 0.00 19.45 21.17 1n4s n ALA 211 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n4s h GLN 212 N 0.00 0.00 -2.25 0.00 1.08 -1.87 -3.45 115.11 108.61 1n4s h GLN 212 Ca -0.30 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.10 1n4s h GLN 212 Cb 1.27 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.62 1n4s h GLN 212 CO 0.43 0.24 0.54 0.20 -0.95 0.00 0.00 178.83 179.30 1n4s s GLY 213 N -4.26 -0.21 0.18 3.46 0.00 -1.26 -2.30 107.32 102.93 1n4s s GLY 213 Ca -0.02 0.13 -0.33 0.00 0.00 0.00 0.00 44.72 44.50 1n4s s GLY 213 CO 0.65 0.30 1.26 0.00 0.00 0.00 0.00 173.10 175.30 1n4s n ALA 214 N -0.50 -0.24 0.00 3.20 0.00 -1.25 -2.13 120.51 119.58 1n4s n ALA 214 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n4s n ALA 214 Cb 0.61 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1n4s n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4s n GLY 215 N 2.15 3.01 3.83 0.00 0.00 -1.26 -5.01 105.19 107.90 1n4s n GLY 215 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1n4s n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n4s s LEU 216 N 0.00 2.61 0.15 0.99 2.01 -0.90 -4.99 118.68 118.54 1n4s s LEU 216 Ca 0.00 1.20 -0.31 0.00 0.01 0.00 0.00 54.13 55.02 1n4s s LEU 216 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 46.19 42.29 1n4s s LEU 216 CO 0.00 -1.87 1.45 -0.70 1.01 0.00 0.00 176.35 176.24 1n4s s GLU 217 N -5.25 4.29 0.50 1.70 2.12 -1.26 -4.67 118.70 116.13 1n4s s GLU 217 Ca 0.60 2.19 -0.23 0.00 0.36 0.00 0.00 54.97 57.90 1n4s s GLU 217 Cb -0.13 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1n4s s GLU 217 CO 0.53 -0.48 1.27 -1.54 -0.54 0.00 0.00 175.26 174.51 1n4s s SER 218 N 0.97 5.74 0.01 -1.70 1.04 -1.26 -4.33 113.70 114.17 1n4s s SER 218 Ca 0.65 2.56 -0.02 0.00 0.48 0.00 0.00 55.95 59.63 1n4s s SER 218 Cb -0.40 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.09 1n4s s SER 218 CO 0.33 -1.23 0.01 -2.28 0.98 0.00 0.00 173.24 171.05 1n4s s HIS 219 N -1.40 0.17 0.29 5.02 2.46 -0.18 -4.81 115.29 116.85 1n4s s HIS 219 Ca 0.67 -0.36 -0.00 0.00 0.47 0.00 0.00 55.06 55.83 1n4s s HIS 219 Cb -0.35 -0.13 0.49 0.00 -0.13 0.00 0.00 32.58 32.45 1n4s s HIS 219 CO 0.42 -0.19 1.92 0.78 -2.47 0.00 0.00 174.74 175.20 1n4s h GLY 220 N 4.75 1.32 0.79 1.59 0.00 -0.33 -0.56 103.07 110.63 1n4s h GLY 220 Ca -0.31 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 1n4s h GLY 220 CO 0.42 0.34 -0.01 -1.33 0.00 0.00 0.00 176.54 175.96 1n4s h GLY 221 N 1.08 0.32 2.00 4.60 0.00 -1.91 -2.05 103.07 107.10 1n4s h GLY 221 Ca 0.38 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 1n4s h GLY 221 CO -0.13 0.22 -0.53 1.48 0.00 0.00 0.00 176.54 177.58 1n4s h SER 222 N 0.03 0.00 -0.50 0.19 4.64 -1.75 -1.71 113.55 114.44 1n4s h SER 222 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1n4s h SER 222 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1n4s h SER 222 CO 0.01 0.53 0.01 0.74 -0.87 0.00 0.00 176.83 177.25 1n4s h THR 223 N 0.00 1.26 -0.18 2.95 2.02 -1.05 0.51 112.91 118.42 1n4s h THR 223 Ca -0.01 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1n4s h THR 223 Cb 1.04 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1n4s h THR 223 CO 0.07 0.38 0.10 0.15 0.37 0.00 0.00 175.52 176.59 1n4s h PHE 224 N 0.75 0.25 -0.68 3.16 3.57 -1.10 -0.36 116.94 122.53 1n4s h PHE 224 Ca 0.14 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1n4s h PHE 224 Cb 0.51 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1n4s h PHE 224 CO 0.04 0.23 0.39 0.00 -2.23 0.00 0.00 178.31 176.74 1n4s h GLY 226 N 0.72 -0.20 0.94 0.00 0.00 -0.71 -1.82 103.07 102.01 1n4s h GLY 226 Ca 0.30 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1n4s h GLY 226 CO -0.17 -0.07 0.15 -2.22 0.00 0.00 0.00 176.54 174.24 1n4s h ILE 227 N -0.56 1.16 -0.64 2.60 1.08 -0.89 -2.14 117.51 118.12 1n4s h ILE 227 Ca -0.02 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1n4s h ILE 227 Cb 0.43 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1n4s h ILE 227 CO 0.03 0.16 0.31 0.00 -0.69 0.00 0.00 178.15 177.96 1n4s h ALA 228 N 1.01 1.35 -0.13 1.87 0.00 -0.51 -0.98 119.26 121.86 1n4s h ALA 228 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n4s h ALA 228 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n4s h ALA 228 CO -0.01 0.51 0.07 0.77 0.00 0.00 0.00 179.25 180.59 1n4s h SER 229 N 0.90 0.16 -0.72 0.00 0.02 -1.04 0.23 113.55 113.10 1n4s h SER 229 Ca 0.22 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1n4s h SER 229 Cb 0.09 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1n4s h SER 229 CO -0.03 0.19 0.41 -0.07 -1.14 0.00 0.00 176.83 176.19 1n4s h LEU 230 N 0.13 0.91 -0.40 5.07 3.38 -0.96 -0.79 115.31 122.64 1n4s h LEU 230 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1n4s h LEU 230 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1n4s h LEU 230 CO -0.01 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.22 1n4s h LEU 232 N 0.55 0.53 0.00 0.00 4.07 -0.41 0.92 115.31 120.98 1n4s h LEU 232 Ca 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1n4s h LEU 232 Cb 0.52 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1n4s h LEU 232 CO 0.03 0.40 -0.06 0.23 -1.08 0.00 0.00 178.44 177.96 1n4s n MET 233 N -4.45 0.23 -3.05 1.13 2.81 -0.35 -4.93 117.12 108.51 1n4s n MET 233 Ca 0.04 0.18 -0.12 0.00 -1.81 0.00 0.00 57.70 55.98 1n4s n MET 233 Cb 0.07 -1.76 0.04 0.00 -0.71 0.00 0.00 33.22 30.86 1n4s n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n4s n GLY 234 N 1.34 0.19 0.52 3.03 0.00 0.32 -4.95 105.19 105.63 1n4s n GLY 234 Ca 0.06 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.90 1n4s n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4s n LYS 235 N -2.78 0.40 0.24 1.61 5.02 0.16 -4.89 118.16 117.92 1n4s n LYS 235 Ca 0.00 -1.63 -0.17 0.00 -2.02 0.00 0.00 58.31 54.49 1n4s n LYS 235 Cb 0.53 -0.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.70 1n4s n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1n4s h LEU 236 N 0.17 -1.31 -1.16 -0.35 6.46 -1.90 -1.01 115.31 116.20 1n4s h LEU 236 Ca -0.03 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1n4s h LEU 236 Cb 1.34 0.45 -0.06 0.00 -0.73 0.00 0.00 40.66 41.66 1n4s h LEU 236 CO 0.01 -0.60 0.58 -0.33 -0.62 0.00 0.00 178.44 177.48 1n4s h GLU 237 N -0.89 0.95 -0.16 1.25 4.39 -1.90 -1.97 114.58 116.25 1n4s h GLU 237 Ca -0.04 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 1n4s h GLU 237 Cb 0.80 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1n4s h GLU 237 CO -0.11 0.63 -0.51 1.49 -1.16 0.00 0.00 179.01 179.35 1n4s h GLU 238 N 0.98 0.44 0.21 2.33 4.81 -1.83 -3.33 114.58 118.18 1n4s h GLU 238 Ca 0.40 -0.26 -0.32 0.00 -0.13 0.00 0.00 59.36 59.05 1n4s h GLU 238 Cb 0.26 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.69 1n4s h GLU 238 CO -0.16 0.85 -1.47 0.28 -0.73 0.00 0.00 179.01 177.78 1n4s h VAL 239 N 0.35 1.18 -3.67 0.32 2.07 -0.80 -3.46 116.25 112.25 1n4s h VAL 239 Ca 0.01 -2.59 -0.68 0.00 0.82 0.00 0.00 66.70 64.27 1n4s h VAL 239 Cb 1.01 2.95 -0.22 0.00 -1.52 0.00 0.00 31.29 33.51 1n4s h VAL 239 CO 0.09 0.80 -0.73 -0.36 0.02 0.00 0.00 177.57 177.39 1n4s s PHE 240 N -2.56 2.84 0.94 1.57 2.99 -0.78 -5.08 117.98 117.91 1n4s s PHE 240 Ca -0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 56.93 56.46 1n4s s PHE 240 Cb 0.04 -1.74 0.16 0.00 0.00 0.00 0.00 43.02 41.47 1n4s s PHE 240 CO 0.89 0.12 1.12 -1.54 -0.00 0.00 0.00 175.22 175.81 1n4s s SER 241 N -0.39 3.18 0.20 1.36 1.04 -1.26 -4.61 113.70 113.22 1n4s s SER 241 Ca 0.05 1.03 -0.10 0.00 0.48 0.00 0.00 55.95 57.40 1n4s s SER 241 Cb -0.12 -1.63 0.13 0.00 0.10 0.00 0.00 66.02 64.50 1n4s s SER 241 CO 0.02 -2.77 1.80 -0.08 0.98 0.00 0.00 173.24 173.19 1n4s h GLU 242 N -1.64 1.02 -0.61 4.02 4.81 -1.99 0.25 114.58 120.44 1n4s h GLU 242 Ca -0.52 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 1n4s h GLU 242 Cb 1.33 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1n4s h GLU 242 CO 0.61 0.79 0.36 -0.22 -0.73 0.00 0.00 179.01 179.81 1n4s h LYS 243 N 0.99 0.84 -0.18 1.92 3.64 -1.99 -0.37 116.57 121.42 1n4s h LYS 243 Ca 0.25 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1n4s h LYS 243 Cb 0.09 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1n4s h LYS 243 CO -0.03 0.61 0.06 0.93 -2.27 0.00 0.00 179.45 178.75 1n4s h GLU 244 N 0.83 0.27 -0.36 1.90 5.08 -1.79 -2.08 114.58 118.42 1n4s h GLU 244 Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1n4s h GLU 244 Cb -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1n4s h GLU 244 CO -0.04 0.36 0.19 -0.07 -1.00 0.00 0.00 179.01 178.46 1n4s h LEU 245 N 0.12 0.43 -0.76 1.33 3.38 -0.73 -0.90 115.31 118.19 1n4s h LEU 245 Ca 0.06 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1n4s h LEU 245 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1n4s h LEU 245 CO -0.00 0.35 -0.04 0.78 0.09 0.00 0.00 178.44 179.61 1n4s h ASN 246 N 0.49 0.89 -0.47 -0.43 -0.26 -0.71 -0.24 115.58 114.85 1n4s h ASN 246 Ca 0.13 -0.25 -0.13 0.00 -0.56 0.00 0.00 56.30 55.49 1n4s h ASN 246 Cb 0.02 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1n4s h ASN 246 CO -0.02 0.97 -0.21 0.03 -1.06 0.00 0.00 177.43 177.14 1n4s h ARG 247 N 0.83 0.97 -0.50 0.81 3.08 -0.58 -1.59 114.38 117.39 1n4s h ARG 247 Ca 0.15 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 1n4s h ARG 247 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1n4s h ARG 247 CO 0.03 1.09 0.04 0.82 -1.07 0.00 0.00 179.97 180.88 1n4s h ILE 248 N 0.82 1.26 -0.66 2.04 2.04 -1.01 -1.21 117.51 120.79 1n4s h ILE 248 Ca 0.11 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1n4s h ILE 248 Cb 0.79 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1n4s h ILE 248 CO 0.07 0.36 0.42 0.11 0.00 0.00 0.00 178.15 179.11 1n4s h LYS 249 N 0.73 0.82 -0.40 2.37 1.57 -0.90 -0.01 116.57 120.77 1n4s h LYS 249 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1n4s h LYS 249 Cb 0.46 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1n4s h LYS 249 CO 0.02 0.55 0.26 -0.09 -0.57 0.00 0.00 179.45 179.61 1n4s h ARG 250 N 0.85 0.52 -0.39 3.15 9.65 -1.00 0.77 114.38 127.93 1n4s h ARG 250 Ca 0.25 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1n4s h ARG 250 Cb -0.04 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1n4s h ARG 250 CO -0.08 0.35 0.23 2.35 2.80 0.00 0.00 179.97 185.62 1n4s h TRP 251 N 0.54 0.53 -0.11 2.20 7.01 -0.64 -2.33 115.95 123.14 1n4s h TRP 251 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1n4s h TRP 251 Cb -0.06 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1n4s h TRP 251 CO -0.05 0.39 0.04 0.00 -2.79 0.00 0.00 178.44 176.03 1n4s h ILE 253 N -0.00 0.00 0.00 0.00 2.10 -0.80 -1.32 117.51 117.49 1n4s h ILE 253 Ca 0.03 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1n4s h ILE 253 Cb 0.20 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1n4s h ILE 253 CO -0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1n4s n MET 254 N -2.92 0.04 0.15 2.19 2.81 -0.88 -3.15 117.12 115.36 1n4s n MET 254 Ca -0.00 0.16 0.13 0.00 -1.81 0.00 0.00 57.70 56.18 1n4s n MET 254 Cb 0.23 -1.57 0.47 0.00 -0.71 0.00 0.00 33.22 31.65 1n4s n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n4s h ARG 255 N 0.00 0.00 -6.26 0.03 2.47 -1.27 -3.44 114.38 105.91 1n4s h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1n4s h ARG 255 Cb 0.41 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1n4s h ARG 255 CO 0.00 0.00 0.43 -1.14 0.56 0.00 0.00 179.97 179.82 1n4s s GLN 256 N -3.30 4.46 -0.08 0.04 0.74 -1.19 -2.30 119.66 118.03 1n4s s GLN 256 Ca 0.06 1.31 0.02 0.00 0.05 0.00 0.00 55.36 56.81 1n4s s GLN 256 Cb 0.10 -3.51 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 1n4s s GLN 256 CO 0.49 -0.19 -0.04 1.04 -0.55 0.00 0.00 175.29 176.04 1n4s n GLN 257 N 4.52 1.11 0.08 1.67 1.13 -1.26 -4.97 117.38 119.66 1n4s n GLN 257 Ca 0.06 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1n4s n GLN 257 Cb 0.50 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.68 1n4s n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1n4s n ASN 258 N -2.58 -1.36 -0.57 1.08 0.23 -1.26 -5.07 115.26 105.73 1n4s n ASN 258 Ca -0.14 0.42 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1n4s n ASN 258 Cb 0.68 1.50 0.00 0.00 -2.08 0.00 0.00 39.78 39.88 1n4s n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4s n GLY 259 N -1.37 1.53 3.36 4.83 0.00 -1.26 -2.26 105.19 110.02 1n4s n GLY 259 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1n4s n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n4s s TYR 260 N 1.62 2.25 0.37 1.61 1.51 -1.26 -4.44 117.35 119.00 1n4s s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1n4s s TYR 260 Cb 0.00 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1n4s s TYR 260 CO 0.00 0.23 0.26 -3.38 -1.11 0.00 0.00 175.55 171.56 1n4s s HIS 261 N -0.95 2.76 -0.27 2.71 -3.43 -0.97 -0.75 115.29 114.37 1n4s s HIS 261 Ca 0.12 -0.41 0.21 0.00 -0.80 0.00 0.00 55.06 54.18 1n4s s HIS 261 Cb -0.10 -1.88 0.10 0.00 -1.43 0.00 0.00 32.58 29.27 1n4s s HIS 261 CO 0.04 0.14 1.27 0.78 -2.00 0.00 0.00 174.74 174.96 1n4s h GLY 262 N 1.28 0.00 -3.58 -1.38 0.00 -1.87 -3.45 103.07 94.07 1n4s h GLY 262 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1n4s h GLY 262 CO 0.61 0.00 0.24 1.09 0.00 0.00 0.00 176.54 178.48 1n4s s ARG 263 N -3.18 1.10 0.20 4.80 1.70 -1.26 0.41 118.95 122.72 1n4s s ARG 263 Ca 0.02 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 1n4s s ARG 263 Cb 0.08 0.51 -0.16 0.00 -0.57 0.00 0.00 34.95 34.81 1n4s s ARG 263 CO 0.75 -0.41 0.82 -2.30 -1.08 0.00 0.00 175.30 173.07 1n4s n PRO 264 N 0.30 0.56 -1.74 3.89 -0.02 -1.26 -2.37 135.00 134.36 1n4s n PRO 264 Ca -0.17 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 1n4s n PRO 264 Cb 0.61 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.60 1n4s n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n4s n ASN 265 N 1.74 -5.16 -4.50 2.55 3.02 -1.26 -5.01 115.26 106.64 1n4s n ASN 265 Ca 0.15 0.32 -0.28 0.00 -0.03 0.00 0.00 54.58 54.75 1n4s n ASN 265 Cb 0.25 -4.24 -0.11 0.00 -0.61 0.00 0.00 39.78 35.08 1n4s n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n4s s LYS 266 N -3.88 1.82 0.56 3.52 -0.14 -1.00 -5.12 119.74 115.51 1n4s s LYS 266 Ca 0.00 -1.29 -0.20 0.00 -1.36 0.00 0.00 55.97 53.13 1n4s s LYS 266 Cb 0.00 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 34.03 1n4s s LYS 266 CO 0.00 0.45 1.19 -1.25 -0.76 0.00 0.00 175.35 174.97 1n4s s PRO 267 N -2.51 3.19 0.71 -1.68 0.04 -1.26 -4.78 135.00 128.71 1n4s s PRO 267 Ca 0.21 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1n4s s PRO 267 Cb -0.09 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1n4s s PRO 267 CO 0.12 -1.02 1.13 0.14 0.04 0.00 0.00 177.00 177.41 1n4s s VAL 268 N -1.63 2.92 -0.11 -0.36 -7.23 -1.26 -4.53 120.40 108.21 1n4s s VAL 268 Ca 0.74 0.41 -0.05 0.00 -1.81 0.00 0.00 61.98 61.27 1n4s s VAL 268 Cb -0.29 -2.90 0.05 0.00 0.56 0.00 0.00 36.38 33.81 1n4s s VAL 268 CO 0.32 -0.29 0.25 -0.62 -0.31 0.00 0.00 175.10 174.45 1n4s s ASP 269 N -2.56 -0.18 0.31 4.85 -1.08 0.07 -4.84 116.67 113.23 1n4s s ASP 269 Ca 0.68 0.54 0.02 0.00 -0.52 0.00 0.00 52.55 53.27 1n4s s ASP 269 Cb -0.22 0.45 0.75 0.00 -1.46 0.00 0.00 42.92 42.44 1n4s s ASP 269 CO 0.46 -0.18 1.56 0.41 0.52 0.00 0.00 175.17 177.94 1n4s n THR 270 N 4.38 -0.42 0.31 1.71 -1.04 -0.89 -0.92 114.28 117.42 1n4s n THR 270 Ca -0.23 2.19 0.19 0.00 -2.04 0.00 0.00 64.05 64.16 1n4s n THR 270 Cb 0.53 -3.19 1.03 0.00 -1.82 0.00 0.00 70.33 66.88 1n4s n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4s h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.27 -1.74 116.97 114.01 1n4s h TYR 272 Ca 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1n4s h TYR 272 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1n4s h TYR 272 CO 0.00 0.00 -0.02 0.77 -1.05 0.00 0.00 178.16 177.86 1n4s h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.21 0.82 113.55 117.06 1n4s h SER 273 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1n4s h SER 273 Cb 0.54 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1n4s h SER 273 CO 0.00 0.02 -1.71 0.33 -1.14 0.00 0.00 176.83 174.34 1n4s n PHE 274 N -4.03 0.46 0.00 3.45 7.35 -0.71 -2.95 117.46 121.03 1n4s n PHE 274 Ca -0.03 0.20 -0.10 0.00 -0.76 0.00 0.00 57.45 56.76 1n4s n PHE 274 Cb 0.11 -0.96 -0.04 0.00 0.35 0.00 0.00 39.48 38.94 1n4s n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n4s h TRP 275 N -1.00 -0.86 0.17 -5.13 -0.00 -1.27 0.70 115.95 108.56 1n4s h TRP 275 Ca -0.43 0.04 -0.25 0.00 -0.00 0.00 0.00 58.89 58.25 1n4s h TRP 275 Cb 1.32 0.40 0.03 0.00 -0.00 0.00 0.00 29.16 30.91 1n4s h TRP 275 CO -0.08 -0.39 -1.09 0.28 -0.00 0.00 0.00 178.44 177.17 1n4s h VAL 276 N -0.38 1.39 -0.60 1.49 2.07 -1.07 -3.02 116.25 116.13 1n4s h VAL 276 Ca 0.10 -2.55 0.05 0.00 0.82 0.00 0.00 66.70 65.12 1n4s h VAL 276 Cb 0.54 3.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.29 1n4s h VAL 276 CO -0.35 0.75 0.32 1.23 0.02 0.00 0.00 177.57 179.54 1n4s h GLY 277 N -0.08 0.87 1.65 2.17 0.00 -1.38 -0.30 103.07 105.98 1n4s h GLY 277 Ca -0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1n4s h GLY 277 CO 0.21 0.13 -0.18 0.00 0.00 0.00 0.00 176.54 176.70 1n4s h ALA 278 N 1.32 1.25 -0.34 3.60 0.00 0.31 -0.20 119.26 125.21 1n4s h ALA 278 Ca 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1n4s h ALA 278 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n4s h ALA 278 CO -0.18 0.49 -0.00 1.15 0.00 0.00 0.00 179.25 180.71 1n4s h THR 279 N 0.39 1.26 -0.83 0.00 2.02 -1.19 -0.55 112.91 114.01 1n4s h THR 279 Ca 0.07 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1n4s h THR 279 Cb 0.54 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1n4s h THR 279 CO 0.03 0.32 0.46 -0.07 0.37 0.00 0.00 175.52 176.64 1n4s h LEU 280 N 0.41 1.02 -0.49 2.58 3.38 -0.64 -0.29 115.31 121.27 1n4s h LEU 280 Ca 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1n4s h LEU 280 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1n4s h LEU 280 CO 0.02 0.81 0.17 0.50 0.09 0.00 0.00 178.44 180.04 1n4s h LYS 281 N 1.15 0.76 0.00 1.13 1.63 -0.68 -0.64 116.57 119.93 1n4s h LYS 281 Ca 0.29 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1n4s h LYS 281 Cb 0.01 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1n4s h LYS 281 CO -0.05 0.69 -0.21 -0.07 -3.45 0.00 0.00 179.45 176.37 1n4s h LEU 282 N 0.66 0.00 -1.42 5.20 3.38 -0.42 -0.92 115.31 121.80 1n4s h LEU 282 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1n4s h LEU 282 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n4s h LEU 282 CO -0.01 0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.91 1n4s n LEU 283 N -4.10 2.10 -2.36 1.67 4.77 -0.18 -4.95 117.00 113.95 1n4s n LEU 283 Ca -0.02 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.79 1n4s n LEU 283 Cb 0.28 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1n4s n LEU 283 CO 0.35 0.48 -0.25 0.29 -1.33 0.00 0.00 177.39 176.93 1n4s n LYS 284 N 0.62 -1.78 -0.09 3.23 5.02 -0.35 -4.87 118.16 119.94 1n4s n LYS 284 Ca 0.16 0.99 0.01 0.00 -2.02 0.00 0.00 58.31 57.45 1n4s n LYS 284 Cb 0.37 -5.63 0.02 0.00 -0.02 0.00 0.00 35.03 29.77 1n4s n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1n4s n ILE 285 N -4.04 0.58 0.13 -0.18 -5.35 -0.45 -4.72 119.36 105.33 1n4s n ILE 285 Ca -0.24 -0.63 0.04 0.00 -0.27 0.00 0.00 62.75 61.65 1n4s n ILE 285 Cb 0.68 0.59 0.46 0.00 -1.74 0.00 0.00 39.64 39.63 1n4s n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1n4s h PHE 286 N 0.00 0.24 -0.10 4.28 3.57 -1.81 -1.28 116.94 121.83 1n4s h PHE 286 Ca 0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1n4s h PHE 286 Cb 0.90 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1n4s h PHE 286 CO 0.02 0.27 0.19 -0.56 -2.23 0.00 0.00 178.31 175.99 1n4s h GLN 287 N 0.23 0.00 -0.22 1.11 3.07 -1.89 -1.18 115.11 116.24 1n4s h GLN 287 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1n4s h GLN 287 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1n4s h GLN 287 CO 0.01 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.59 1n4s n TYR 288 N -3.44 0.28 -2.29 0.06 0.53 -0.48 -4.92 117.16 106.89 1n4s n TYR 288 Ca -0.00 -0.14 -0.25 0.00 -1.02 0.00 0.00 57.90 56.49 1n4s n TYR 288 Cb 0.28 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.67 1n4s n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1n4s s THR 289 N -1.72 2.29 -0.50 -0.72 -4.23 -0.45 -5.02 115.64 105.29 1n4s s THR 289 Ca 0.34 -0.35 -0.22 0.00 -1.18 0.00 0.00 61.69 60.28 1n4s s THR 289 Cb 0.19 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1n4s s THR 289 CO 0.28 0.00 0.74 0.21 -0.54 0.00 0.00 174.62 175.31 1n4s s ASN 290 N -4.56 6.31 0.09 3.99 3.84 -1.26 -4.94 114.94 118.40 1n4s s ASN 290 Ca 0.62 -0.50 -0.18 0.00 0.21 0.00 0.00 52.86 53.01 1n4s s ASN 290 Cb -0.09 -2.35 -0.08 0.00 -0.55 0.00 0.00 41.25 38.18 1n4s s ASN 290 CO 0.44 -0.97 1.50 -0.26 -2.79 0.00 0.00 177.10 175.03 1n4s h PHE 291 N 9.06 0.57 -0.34 0.43 0.05 -1.95 -3.16 116.94 121.60 1n4s h PHE 291 Ca -0.26 -0.11 0.03 0.00 3.82 0.00 0.00 57.97 61.44 1n4s h PHE 291 Cb 1.09 -0.14 -0.03 0.00 2.00 0.00 0.00 35.95 38.86 1n4s h PHE 291 CO 0.80 0.69 0.16 1.49 -0.18 0.00 0.00 178.31 181.27 1n4s h GLU 292 N 0.28 0.32 -0.38 1.51 4.22 -1.97 0.65 114.58 119.21 1n4s h GLU 292 Ca 0.07 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.40 1n4s h GLU 292 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1n4s h GLU 292 CO 0.02 0.21 -0.14 0.87 -2.18 0.00 0.00 179.01 177.80 1n4s h LYS 293 N 0.33 0.68 0.09 1.92 1.57 -1.85 0.99 116.57 120.30 1n4s h LYS 293 Ca 0.15 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1n4s h LYS 293 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n4s h LYS 293 CO -0.11 0.79 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.54 1n4s h ASN 294 N 0.61 -0.11 -0.54 0.86 -1.24 -1.09 -1.70 115.58 112.38 1n4s h ASN 294 Ca 0.10 -0.25 0.03 0.00 0.71 0.00 0.00 56.30 56.89 1n4s h ASN 294 Cb 0.58 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.63 1n4s h ASN 294 CO 0.04 0.19 0.32 -0.09 -1.29 0.00 0.00 177.43 176.60 1n4s h ARG 295 N -0.41 0.62 -0.84 6.67 2.43 -0.73 -1.28 114.38 120.83 1n4s h ARG 295 Ca -0.01 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1n4s h ARG 295 Cb 0.35 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1n4s h ARG 295 CO 0.02 0.41 0.55 -0.97 -1.51 0.00 0.00 179.97 178.47 1n4s h ASN 296 N 0.64 0.92 -0.04 -3.80 -1.24 -0.74 -1.58 115.58 109.75 1n4s h ASN 296 Ca 0.22 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1n4s h ASN 296 Cb 0.03 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 1n4s h ASN 296 CO -0.10 0.64 0.01 0.22 -1.29 0.00 0.00 177.43 176.91 1n4s h TYR 297 N 1.08 0.07 -0.28 0.67 3.20 -0.72 -2.13 116.97 118.86 1n4s h TYR 297 Ca 0.33 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1n4s h TYR 297 Cb -0.04 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1n4s h TYR 297 CO -0.02 0.30 -0.06 0.82 -1.64 0.00 0.00 178.16 177.57 1n4s h ILE 298 N -0.19 0.73 0.00 1.81 2.04 -1.02 -1.42 117.51 119.46 1n4s h ILE 298 Ca 0.01 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1n4s h ILE 298 Cb 0.27 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1n4s h ILE 298 CO 0.00 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 177.96 1n4s h LEU 299 N 0.01 0.00 -0.46 1.44 3.38 -1.27 -1.22 115.31 117.19 1n4s h LEU 299 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1n4s h LEU 299 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1n4s h LEU 299 CO -0.28 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 176.83 1n4s n SER 300 N -3.62 0.51 -1.11 -0.43 3.41 -0.54 -1.91 113.62 109.92 1n4s n SER 300 Ca -0.02 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1n4s n SER 300 Cb 0.25 -0.73 0.25 0.00 -0.26 0.00 0.00 64.21 63.73 1n4s n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4s n THR 301 N -2.05 0.88 -2.51 6.66 -2.24 -0.46 -4.31 114.28 110.24 1n4s n THR 301 Ca 0.03 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.46 1n4s n THR 301 Cb 0.24 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1n4s n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n4s s GLN 302 N -1.08 4.55 -0.57 -0.78 0.74 -0.80 -0.98 119.66 120.73 1n4s s GLN 302 Ca 0.40 1.70 -0.20 0.00 0.05 0.00 0.00 55.36 57.31 1n4s s GLN 302 Cb 0.21 -3.31 0.07 0.00 1.10 0.00 0.00 33.01 31.08 1n4s s GLN 302 CO 0.28 -0.03 0.75 0.34 -0.55 0.00 0.00 175.29 176.08 1n4s s ASP 303 N 0.32 6.21 0.31 6.67 -1.08 -0.62 -4.90 116.67 123.58 1n4s s ASP 303 Ca 0.52 -1.03 0.25 0.00 -0.52 0.00 0.00 52.55 51.77 1n4s s ASP 303 Cb -0.29 -2.33 1.09 0.00 -1.46 0.00 0.00 42.92 39.93 1n4s s ASP 303 CO 0.33 -1.11 1.76 0.03 0.52 0.00 0.00 175.17 176.70 1n4s h ARG 304 N 9.20 0.00 0.00 4.34 3.08 -1.88 0.12 114.38 129.24 1n4s h ARG 304 Ca -0.28 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.66 1n4s h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1n4s h ARG 304 CO 1.06 0.00 -0.90 -0.11 -1.07 0.00 0.00 179.97 178.96 1n4s n LEU 305 N -2.37 1.84 0.01 3.04 -0.00 -1.26 -4.63 117.00 113.63 1n4s n LEU 305 Ca 0.01 0.53 0.11 0.00 -0.00 0.00 0.00 56.01 56.66 1n4s n LEU 305 Cb 0.21 -0.90 -0.08 0.00 -0.00 0.00 0.00 43.42 42.65 1n4s n LEU 305 CO 0.19 -0.14 -0.24 1.33 -0.00 0.00 0.00 177.39 178.54 1n4s n VAL 306 N -4.53 0.07 -0.14 1.96 0.24 -1.24 -5.10 118.33 109.60 1n4s n VAL 306 Ca -0.19 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1n4s n VAL 306 Cb 0.46 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1n4s n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n4s n GLY 307 N 1.37 -3.55 0.56 7.63 0.00 0.43 -4.48 105.19 107.16 1n4s n GLY 307 Ca 0.01 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.16 1n4s n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4s n GLY 308 N -0.26 -1.71 3.34 -0.02 0.00 -1.26 -4.28 105.19 101.00 1n4s n GLY 308 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 1n4s n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n4s s PHE 309 N -1.76 1.77 0.49 1.61 0.40 -1.26 -1.59 117.98 117.63 1n4s s PHE 309 Ca 0.00 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1n4s s PHE 309 Cb 0.00 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 1n4s s PHE 309 CO 0.00 0.35 0.22 0.00 0.70 0.00 0.00 175.22 176.48 1n4s s ALA 310 N -2.43 4.03 0.11 5.36 0.00 -0.15 -2.62 121.76 126.06 1n4s s ALA 310 Ca 0.18 -1.36 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 1n4s s ALA 310 Cb -0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 23.12 22.54 1n4s s ALA 310 CO 0.07 -0.23 1.30 1.57 0.00 0.00 0.00 175.76 178.46 1n4s h LYS 311 N 1.16 0.66 -5.40 0.00 2.10 -1.88 -3.41 116.57 109.81 1n4s h LYS 311 Ca -0.41 -0.60 -0.42 0.00 -2.00 0.00 0.00 60.65 57.22 1n4s h LYS 311 Cb 1.29 0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 32.62 1n4s h LYS 311 CO 0.66 1.21 -0.71 -1.58 -2.00 0.00 0.00 179.45 177.03 1n4s s TRP 312 N -3.56 1.64 0.52 0.07 0.51 -1.26 -2.08 118.94 114.77 1n4s s TRP 312 Ca -0.09 -0.67 -0.22 0.00 -2.12 0.00 0.00 56.10 53.00 1n4s s TRP 312 Cb 0.08 -0.83 -0.06 0.00 -0.81 0.00 0.00 33.47 31.86 1n4s s TRP 312 CO 0.89 0.24 1.24 -1.25 -0.51 0.00 0.00 176.95 177.57 1n4s s PRO 313 N -3.70 3.38 -1.44 4.98 0.04 -1.26 -2.79 135.00 134.21 1n4s s PRO 313 Ca 0.23 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1n4s s PRO 313 Cb 0.01 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1n4s s PRO 313 CO 0.06 -0.91 0.98 -0.25 0.04 0.00 0.00 177.00 176.93 1n4s n ASP 314 N -0.90 -6.31 -4.37 6.66 8.00 -1.26 -4.99 116.55 113.38 1n4s n ASP 314 Ca 0.10 -0.45 -0.19 0.00 0.71 0.00 0.00 54.79 54.95 1n4s n ASP 314 Cb 0.47 -5.01 -0.10 0.00 -0.02 0.00 0.00 41.12 36.47 1n4s n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n4s s SER 315 N -3.10 2.69 0.15 -2.24 0.15 -1.12 -5.12 113.70 105.12 1n4s s SER 315 Ca 0.49 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.80 1n4s s SER 315 Cb -0.22 -0.15 -0.07 0.00 -1.71 0.00 0.00 66.02 63.87 1n4s s SER 315 CO 0.61 -0.17 1.18 -1.00 1.20 0.00 0.00 173.24 175.06 1n4s s HIS 316 N -2.93 3.46 0.59 3.44 0.09 -1.26 -4.69 115.29 113.99 1n4s s HIS 316 Ca 0.24 1.43 -0.15 0.00 -0.00 0.00 0.00 55.06 56.57 1n4s s HIS 316 Cb -0.01 -3.40 -0.04 0.00 -0.00 0.00 0.00 32.58 29.14 1n4s s HIS 316 CO 0.08 -1.10 1.04 -1.25 -0.00 0.00 0.00 174.74 173.51 1n4s s PRO 317 N 0.07 3.39 0.12 8.40 0.04 -1.26 -4.59 135.00 141.17 1n4s s PRO 317 Ca 0.54 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1n4s s PRO 317 Cb -0.31 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1n4s s PRO 317 CO 0.34 -0.74 0.23 0.16 0.04 0.00 0.00 177.00 177.03 1n4s s ASP 318 N -3.01 0.08 0.26 6.66 1.47 -1.08 -4.96 116.67 116.10 1n4s s ASP 318 Ca 0.62 -0.72 -0.03 0.00 1.18 0.00 0.00 52.55 53.60 1n4s s ASP 318 Cb -0.14 0.38 0.40 0.00 -0.34 0.00 0.00 42.92 43.22 1n4s s ASP 318 CO 0.39 -0.79 1.87 0.00 0.68 0.00 0.00 175.17 177.32 1n4s h ALA 319 N 2.66 1.36 -0.08 2.11 0.00 -1.98 -1.19 119.26 122.15 1n4s h ALA 319 Ca -0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1n4s h ALA 319 Cb 1.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n4s h ALA 319 CO 0.53 0.39 0.04 1.25 0.00 0.00 0.00 179.25 181.46 1n4s h LEU 320 N 1.12 0.10 -0.77 0.00 6.46 -1.96 -1.10 115.31 119.17 1n4s h LEU 320 Ca 0.43 -0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1n4s h LEU 320 Cb 0.20 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1n4s h LEU 320 CO -0.18 0.20 -0.37 0.45 -0.62 0.00 0.00 178.44 177.91 1n4s h HIS 321 N -0.01 0.00 -0.23 1.25 3.86 -1.74 -1.44 115.15 116.84 1n4s h HIS 321 Ca 0.03 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1n4s h HIS 321 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1n4s h HIS 321 CO -0.03 0.37 -0.10 0.00 0.86 0.00 0.00 177.93 179.03 1n4s h ALA 322 N 1.63 0.32 -0.11 2.45 0.00 -1.06 0.18 119.26 122.67 1n4s h ALA 322 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1n4s h ALA 322 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1n4s h ALA 322 CO 0.05 0.17 -0.02 -0.92 0.00 0.00 0.00 179.25 178.52 1n4s h TYR 323 N 0.20 0.24 0.00 0.00 3.20 -1.05 -2.25 116.97 117.31 1n4s h TYR 323 Ca 0.05 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1n4s h TYR 323 Cb 0.60 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1n4s h TYR 323 CO 0.06 0.51 -0.42 0.74 -1.64 0.00 0.00 178.16 177.41 1n4s h PHE 324 N -0.09 0.00 -0.45 -3.82 0.05 -1.30 -0.67 116.94 110.66 1n4s h PHE 324 Ca 0.03 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.72 1n4s h PHE 324 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1n4s h PHE 324 CO 0.05 0.42 -0.10 0.78 -0.18 0.00 0.00 178.31 179.28 1n4s h GLY 325 N 1.92 0.93 1.05 -1.45 0.00 -0.91 0.22 103.07 104.84 1n4s h GLY 325 Ca -0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 1n4s h GLY 325 CO 0.05 0.69 -0.01 -2.22 0.00 0.00 0.00 176.54 175.05 1n4s h ILE 326 N 0.69 1.27 -0.10 2.60 2.04 -1.09 -0.89 117.51 122.03 1n4s h ILE 326 Ca 0.12 -1.13 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 1n4s h ILE 326 Cb 0.63 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1n4s h ILE 326 CO 0.04 0.40 -0.39 0.00 0.00 0.00 0.00 178.15 178.21 1n4s h GLY 328 N 1.18 0.39 1.01 0.00 0.00 -0.09 -1.17 103.07 104.39 1n4s h GLY 328 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1n4s h GLY 328 CO 0.06 0.21 0.65 1.41 0.00 0.00 0.00 176.54 178.87 1n4s h LEU 329 N 0.22 1.12 -0.99 3.11 4.07 -0.87 -2.50 115.31 119.47 1n4s h LEU 329 Ca 0.08 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1n4s h LEU 329 Cb 0.22 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1n4s h LEU 329 CO -0.00 0.81 0.66 -1.28 -1.08 0.00 0.00 178.44 177.54 1n4s h SER 330 N 1.32 1.12 -0.60 -0.43 0.87 -0.47 -1.38 113.55 113.98 1n4s h SER 330 Ca 0.36 -0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.04 1n4s h SER 330 Cb -0.15 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.50 1n4s h SER 330 CO -0.08 0.79 0.42 -0.07 -0.53 0.00 0.00 176.83 177.36 1n4s h LEU 331 N 1.31 0.18 -0.41 2.23 4.07 -0.75 0.43 115.31 122.36 1n4s h LEU 331 Ca 0.38 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1n4s h LEU 331 Cb -0.10 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1n4s h LEU 331 CO -0.10 0.10 -0.67 0.23 -1.08 0.00 0.00 178.44 176.92 1n4s n MET 332 N -4.43 0.53 -0.43 1.13 2.81 -0.80 -5.06 117.12 110.86 1n4s n MET 332 Ca 0.11 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1n4s n MET 332 Cb 0.54 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1n4s n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1n4s n GLU 333 N -0.87 -0.72 -3.79 0.03 1.02 0.14 -5.10 120.64 111.35 1n4s n GLU 333 Ca 0.07 0.69 -0.13 0.00 -0.02 0.00 0.00 57.16 57.77 1n4s n GLU 333 Cb 0.38 -0.56 -0.13 0.00 -0.02 0.00 0.00 31.44 31.12 1n4s n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1n4s s GLU 334 N -3.32 0.20 0.18 3.49 2.56 -1.25 -4.87 118.70 115.68 1n4s s GLU 334 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 54.97 54.96 1n4s s GLU 334 Cb 0.00 0.02 -0.13 0.00 2.00 0.00 0.00 34.13 36.03 1n4s s GLU 334 CO 0.00 -0.07 1.68 0.43 -0.56 0.00 0.00 175.26 176.74 1n4s n SER 335 N 3.38 3.65 0.00 -1.70 7.64 -1.26 -1.86 113.62 123.47 1n4s n SER 335 Ca -0.17 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1n4s n SER 335 Cb 0.57 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1n4s n SER 335 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4s n GLY 336 N 3.78 0.62 3.35 0.23 0.00 -1.26 -5.05 105.19 106.86 1n4s n GLY 336 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1n4s n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4s s ILE 337 N -2.26 2.33 0.75 -0.61 1.01 -0.78 -4.57 121.20 117.07 1n4s s ILE 337 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 1n4s s ILE 337 Cb 0.00 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.69 1n4s s ILE 337 CO 0.00 0.58 1.11 0.00 0.00 0.00 0.00 174.94 176.63 1n4s s LYS 339 N -5.43 4.36 0.18 0.00 2.20 -1.26 -4.77 119.74 115.03 1n4s s LYS 339 Ca 0.60 1.38 -0.19 0.00 -0.36 0.00 0.00 55.97 57.40 1n4s s LYS 339 Cb -0.11 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.56 1n4s s LYS 339 CO 0.48 -0.42 0.66 0.54 -0.36 0.00 0.00 175.35 176.25 1n4s s VAL 340 N 2.43 4.65 -0.46 4.02 0.11 -1.26 -0.48 120.40 129.41 1n4s s VAL 340 Ca 0.47 1.18 -0.24 0.00 -2.93 0.00 0.00 61.98 60.46 1n4s s VAL 340 Cb -0.17 -3.85 0.03 0.00 -1.53 0.00 0.00 36.38 30.86 1n4s s VAL 340 CO 0.14 0.29 0.84 -2.28 -3.33 0.00 0.00 175.10 170.76 1n4s s HIS 341 N -1.42 2.95 0.17 1.54 2.46 0.13 -4.73 115.29 116.39 1n4s s HIS 341 Ca 0.39 0.20 -0.21 0.00 0.47 0.00 0.00 55.06 55.91 1n4s s HIS 341 Cb -0.17 -3.80 0.08 0.00 -0.13 0.00 0.00 32.58 28.57 1n4s s HIS 341 CO 0.21 -1.06 1.62 -1.00 -2.47 0.00 0.00 174.74 172.03 1n4s h PRO 342 N 9.05 -0.19 -0.23 2.88 0.13 -1.93 -0.26 132.00 141.45 1n4s h PRO 342 Ca -0.25 0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1n4s h PRO 342 Cb 1.08 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1n4s h PRO 342 CO 0.99 -0.12 -0.64 0.00 -0.23 0.00 0.00 178.00 178.00 1n4s h ALA 343 N 0.96 0.39 0.00 -0.56 0.00 -1.92 -3.28 119.26 114.85 1n4s h ALA 343 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1n4s h ALA 343 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n4s h ALA 343 CO -0.50 0.67 -0.34 1.25 0.00 0.00 0.00 179.25 180.32 1n4s h LEU 344 N 0.61 0.00 -1.32 0.00 5.85 -1.92 -3.47 115.31 115.07 1n4s h LEU 344 Ca -0.01 -0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 1n4s h LEU 344 Cb 1.26 0.00 0.12 0.00 0.37 0.00 0.00 40.66 42.41 1n4s h LEU 344 CO 0.14 0.02 -0.58 -3.20 -0.34 0.00 0.00 178.44 174.48 1n4s n ASN 345 N -2.67 -3.70 -3.85 1.25 5.15 -0.11 -5.03 115.26 106.29 1n4s n ASN 345 Ca 0.03 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.46 1n4s n ASN 345 Cb 0.50 -4.13 -0.07 0.00 -0.53 0.00 0.00 39.78 35.55 1n4s n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1n4s s VAL 346 N -3.27 0.14 0.66 3.44 -7.23 -1.23 -4.97 120.40 107.94 1n4s s VAL 346 Ca 0.23 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.05 1n4s s VAL 346 Cb -0.10 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 1n4s s VAL 346 CO 0.58 -0.64 1.26 -0.94 -0.31 0.00 0.00 175.10 175.05 1n4s s SER 347 N -2.86 4.61 0.43 4.85 1.04 -1.26 0.23 113.70 120.73 1n4s s SER 347 Ca 0.05 2.53 0.09 0.00 0.48 0.00 0.00 55.95 59.10 1n4s s SER 347 Cb 0.05 -2.61 0.92 0.00 0.10 0.00 0.00 66.02 64.48 1n4s s SER 347 CO -0.11 -2.00 2.05 0.71 0.98 0.00 0.00 173.24 174.87 1n4s h THR 348 N 0.43 1.10 -0.49 2.02 1.35 -1.06 -0.52 112.91 115.73 1n4s h THR 348 Ca -0.50 -0.27 0.06 0.00 -0.55 0.00 0.00 66.41 65.15 1n4s h THR 348 Cb 1.32 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.42 1n4s h THR 348 CO 0.53 0.11 0.19 -0.09 -0.25 0.00 0.00 175.52 176.01 1n4s h ARG 349 N 0.39 0.36 -0.43 4.72 2.43 -1.90 0.14 114.38 120.10 1n4s h ARG 349 Ca 0.10 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 1n4s h ARG 349 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1n4s h ARG 349 CO -0.02 0.24 -0.30 1.15 -1.51 0.00 0.00 179.97 179.53 1n4s h THR 350 N 0.38 1.27 -0.14 0.20 2.02 -1.53 -1.33 112.91 113.78 1n4s h THR 350 Ca 0.23 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1n4s h THR 350 Cb 0.23 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1n4s h THR 350 CO -0.22 0.50 -0.14 0.77 0.37 0.00 0.00 175.52 176.80 1n4s h SER 351 N 0.79 0.21 0.52 4.18 4.64 -0.35 0.38 113.55 123.93 1n4s h SER 351 Ca 0.08 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 1n4s h SER 351 Cb 0.88 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1n4s h SER 351 CO 0.08 0.37 -1.05 -0.33 -0.87 0.00 0.00 176.83 175.03 1n4s h GLU 352 N 0.21 0.30 -0.75 4.77 5.08 -0.62 -1.76 114.58 121.81 1n4s h GLU 352 Ca 0.04 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1n4s h GLU 352 Cb 0.38 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1n4s h GLU 352 CO 0.02 1.12 0.49 -0.09 -1.00 0.00 0.00 179.01 179.55 1n4s h ARG 353 N 0.14 0.96 -0.09 2.33 1.12 -0.53 -1.29 114.38 117.02 1n4s h ARG 353 Ca -0.09 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.63 1n4s h ARG 353 Cb 1.72 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 1n4s h ARG 353 CO 0.17 0.64 -0.36 1.25 -3.11 0.00 0.00 179.97 178.55 1n4s h LEU 354 N 0.99 0.19 -0.72 3.80 5.85 -0.84 -2.35 115.31 122.23 1n4s h LEU 354 Ca 0.28 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1n4s h LEU 354 Cb -0.07 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1n4s h LEU 354 CO -0.08 0.55 0.04 -0.09 -0.34 0.00 0.00 178.44 178.52 1n4s h ARG 355 N 0.16 1.02 -0.12 1.25 9.65 -0.34 -1.77 114.38 124.24 1n4s h ARG 355 Ca 0.02 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1n4s h ARG 355 Cb 0.72 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1n4s h ARG 355 CO 0.05 0.98 0.04 -0.44 2.80 0.00 0.00 179.97 183.41 1n4s h ASP 356 N 0.95 0.17 -0.99 -3.80 3.32 -1.01 -2.24 116.42 112.81 1n4s h ASP 356 Ca 0.18 -0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.21 1n4s h ASP 356 Cb 0.50 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 1n4s h ASP 356 CO 0.02 0.30 0.62 -0.07 -1.72 0.00 0.00 179.24 178.39 1n4s h LEU 357 N 0.02 0.81 -0.61 1.55 3.38 -1.17 -0.62 115.31 118.67 1n4s h LEU 357 Ca 0.04 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1n4s h LEU 357 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n4s h LEU 357 CO -0.00 0.36 -0.44 0.45 0.09 0.00 0.00 178.44 178.90 1n4s h HIS 358 N 0.83 0.72 -0.34 1.13 3.86 -1.03 -2.61 115.15 117.70 1n4s h HIS 358 Ca 0.53 -0.22 -0.08 0.00 -1.16 0.00 0.00 60.37 59.44 1n4s h HIS 358 Cb 0.75 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1n4s h HIS 358 CO -0.00 0.93 -0.11 1.96 0.86 0.00 0.00 177.93 181.57 1n4s h GLN 359 N 0.48 0.68 0.00 2.45 7.50 -0.59 -2.42 115.11 123.21 1n4s h GLN 359 Ca 0.03 -0.28 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 1n4s h GLN 359 Cb 0.96 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.45 1n4s h GLN 359 CO 0.09 0.86 -0.05 0.66 -1.50 0.00 0.00 178.83 178.89 1n4s h SER 360 N 0.47 0.00 0.70 1.46 4.64 -1.12 -2.10 113.55 117.61 1n4s h SER 360 Ca 0.08 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.14 1n4s h SER 360 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1n4s h SER 360 CO 0.04 0.05 -1.28 -0.50 -0.87 0.00 0.00 176.83 174.27 1n4s h TRP 361 N 0.00 0.26 0.00 4.77 6.55 -1.25 -3.24 115.95 123.04 1n4s h TRP 361 Ca -0.00 -0.19 0.00 0.00 0.95 0.00 0.00 58.89 59.65 1n4s h TRP 361 Cb 0.38 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1n4s h TRP 361 CO 0.00 1.18 0.00 1.63 -1.05 0.00 0.00 178.44 180.20 1n4s n LYS 362 N -3.40 0.03 0.00 0.49 4.01 -0.79 -5.12 118.16 113.39 1n4s n LYS 362 Ca -0.08 0.45 0.02 0.00 -0.51 0.00 0.00 58.31 58.19 1n4s n LYS 362 Cb 1.00 -1.60 0.02 0.00 -0.51 0.00 0.00 35.03 33.94 1n4s n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54