#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4a n PRO 2 N 0.00 1.95 -2.88 0.00 -0.02 -1.26 -4.93 135.00 127.86 1n4a n PRO 2 Ca 0.00 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 1n4a n PRO 2 Cb 0.00 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.01 1n4a n PRO 2 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n4a s ARG 3 N -2.27 3.54 -0.05 -0.52 0.52 -1.26 -4.95 118.95 113.96 1n4a s ARG 3 Ca 0.61 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 1n4a s ARG 3 Cb -0.50 -3.91 -0.03 0.00 0.52 0.00 0.00 34.95 31.04 1n4a s ARG 3 CO 0.58 -1.12 -0.14 0.08 0.02 0.00 0.00 175.30 174.71 1n4a s VAL 4 N 3.50 3.08 -0.06 3.52 1.01 -1.26 0.39 120.40 130.59 1n4a s VAL 4 Ca 0.34 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1n4a s VAL 4 Cb -0.11 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1n4a s VAL 4 CO 0.23 0.59 -0.20 -0.63 0.00 0.00 0.00 175.10 175.10 1n4a s ILE 5 N -0.68 1.65 -0.09 2.22 1.01 -0.69 -0.06 121.20 124.56 1n4a s ILE 5 Ca 0.10 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1n4a s ILE 5 Cb -0.11 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1n4a s ILE 5 CO 0.01 0.47 -0.11 0.42 0.00 0.00 0.00 174.94 175.73 1n4a s THR 6 N 0.08 3.32 -2.03 2.92 -4.23 -0.19 -0.04 115.64 115.47 1n4a s THR 6 Ca -0.07 -0.60 0.21 0.00 -1.18 0.00 0.00 61.69 60.05 1n4a s THR 6 Cb -0.13 -2.36 0.49 0.00 1.34 0.00 0.00 72.50 71.84 1n4a s THR 6 CO 0.04 0.56 1.42 0.18 -0.54 0.00 0.00 174.62 176.28 1n4a n LEU 7 N 2.76 3.56 -3.77 4.79 4.32 -0.40 -2.64 117.00 125.62 1n4a n LEU 7 Ca -0.18 -1.75 -0.11 0.00 -0.02 0.00 0.00 56.01 53.95 1n4a n LEU 7 Cb 0.53 -0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 41.91 1n4a n LEU 7 CO 0.28 0.84 0.01 -0.94 -1.22 0.00 0.00 177.39 176.36 1n4a s SER 8 N -1.20 -0.08 0.20 -1.43 1.04 -1.26 -4.77 113.70 106.19 1n4a s SER 8 Ca 0.40 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1n4a s SER 8 Cb 0.22 0.36 0.20 0.00 0.10 0.00 0.00 66.02 66.90 1n4a s SER 8 CO 0.30 -0.66 1.79 -0.65 0.98 0.00 0.00 173.24 174.99 1n4a h PRO 9 N 3.03 0.53 -0.75 4.02 0.11 -1.83 -0.80 132.00 136.31 1n4a h PRO 9 Ca -0.32 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1n4a h PRO 9 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1n4a h PRO 9 CO 0.48 0.35 0.29 0.00 -0.21 0.00 0.00 178.00 178.92 1n4a h ALA 10 N 1.32 0.97 -0.19 -0.75 0.00 -1.91 -2.10 119.26 116.61 1n4a h ALA 10 Ca 0.26 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1n4a h ALA 10 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n4a h ALA 10 CO -0.19 0.60 -0.25 -0.91 0.00 0.00 0.00 179.25 178.50 1n4a h ASN 11 N 1.08 0.35 -0.67 0.00 2.35 -1.73 -0.35 115.58 116.62 1n4a h ASN 11 Ca 0.25 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1n4a h ASN 11 Cb 0.22 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1n4a h ASN 11 CO -0.02 0.60 0.32 0.74 -1.65 0.00 0.00 177.43 177.42 1n4a h THR 12 N 0.31 1.22 -0.60 2.81 2.02 -0.81 -0.89 112.91 116.97 1n4a h THR 12 Ca 0.05 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 1n4a h THR 12 Cb 0.61 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1n4a h THR 12 CO 0.04 0.26 0.08 -0.33 0.37 0.00 0.00 175.52 175.94 1n4a h GLU 13 N 0.92 1.00 -0.17 6.66 5.08 -0.66 -1.85 114.58 125.55 1n4a h GLU 13 Ca 0.23 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1n4a h GLU 13 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1n4a h GLU 13 CO -0.03 0.93 0.06 -0.07 -1.00 0.00 0.00 179.01 178.90 1n4a h LEU 14 N 0.93 0.24 0.08 1.33 3.38 -0.69 -0.65 115.31 119.93 1n4a h LEU 14 Ca 0.18 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1n4a h LEU 14 Cb 0.44 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1n4a h LEU 14 CO 0.01 0.35 -0.28 0.00 0.09 0.00 0.00 178.44 178.62 1n4a h ALA 15 N 0.89 -0.45 -0.90 1.53 0.00 -1.02 -0.64 119.26 118.68 1n4a h ALA 15 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n4a h ALA 15 Cb 0.19 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1n4a h ALA 15 CO -0.00 -0.81 0.52 0.74 0.00 0.00 0.00 179.25 179.70 1n4a h PHE 16 N -0.47 1.21 0.00 0.00 -1.00 -1.27 0.78 116.94 116.18 1n4a h PHE 16 Ca 0.04 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1n4a h PHE 16 Cb 0.52 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1n4a h PHE 16 CO -0.28 0.82 -0.09 0.00 -1.61 0.00 0.00 178.31 177.15 1n4a h ALA 17 N 1.28 1.41 -0.01 2.45 0.00 -0.68 -0.14 119.26 123.58 1n4a h ALA 17 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1n4a h ALA 17 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n4a h ALA 17 CO -0.06 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.10 1n4a n ALA 18 N -2.32 2.96 -0.24 0.00 0.00 -0.29 -4.23 120.51 116.39 1n4a n ALA 18 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1n4a n ALA 18 Cb 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1n4a n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4a n GLY 19 N 1.33 0.88 3.82 0.00 0.00 -0.07 -3.65 105.19 107.50 1n4a n GLY 19 Ca 0.12 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1n4a n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4a s ILE 20 N -2.00 5.26 -0.44 -0.61 1.01 0.15 -4.35 121.20 120.22 1n4a s ILE 20 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 1n4a s ILE 20 Cb 0.00 -3.59 0.11 0.00 0.01 0.00 0.00 42.46 38.99 1n4a s ILE 20 CO 0.00 0.53 0.28 -0.89 0.00 0.00 0.00 174.94 174.87 1n4a s THR 21 N -0.60 3.89 0.65 2.92 2.01 -1.26 -3.10 115.64 120.15 1n4a s THR 21 Ca 0.19 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 60.19 1n4a s THR 21 Cb -0.14 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1n4a s THR 21 CO 0.08 -0.70 1.30 -2.84 -0.69 0.00 0.00 174.62 171.76 1n4a s PRO 22 N 1.30 2.53 0.00 4.92 0.02 -1.26 -4.72 135.00 137.78 1n4a s PRO 22 Ca 0.06 2.07 0.25 0.00 0.02 0.00 0.00 61.00 63.39 1n4a s PRO 22 Cb -0.25 -1.84 0.36 0.00 0.02 0.00 0.00 34.50 32.79 1n4a s PRO 22 CO -0.02 -1.62 1.33 1.33 -0.33 0.00 0.00 177.00 177.70 1n4a n VAL 23 N -1.94 0.00 -3.64 3.83 0.24 0.91 -4.87 118.33 112.87 1n4a n VAL 23 Ca 0.16 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.34 62.08 1n4a n VAL 23 Cb 0.48 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1n4a n VAL 23 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1n4a s GLY 24 N -2.27 -0.60 0.42 7.63 0.00 -1.24 -4.66 107.32 106.60 1n4a s GLY 24 Ca 0.25 2.39 0.03 0.00 0.00 0.00 0.00 44.72 47.40 1n4a s GLY 24 CO 0.45 2.30 0.12 3.33 0.00 0.00 0.00 173.10 179.30 1n4a n VAL 25 N 4.01 0.00 -3.14 1.40 0.24 -0.50 -1.02 118.33 119.32 1n4a n VAL 25 Ca -0.19 -2.36 -0.19 0.00 -2.04 0.00 0.00 64.34 59.56 1n4a n VAL 25 Cb 0.58 0.77 0.02 0.00 -1.47 0.00 0.00 33.84 33.74 1n4a n VAL 25 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1n4a s SER 26 N -3.54 5.36 0.83 -1.34 1.04 -1.08 -1.02 113.70 113.94 1n4a s SER 26 Ca 0.16 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1n4a s SER 26 Cb 0.01 -0.32 0.09 0.00 0.10 0.00 0.00 66.02 65.90 1n4a s SER 26 CO 0.12 -0.93 1.10 -0.94 0.98 0.00 0.00 173.24 173.57 1n4a s SER 27 N -4.40 3.96 0.00 7.02 1.04 -0.64 -2.64 113.70 118.04 1n4a s SER 27 Ca 0.55 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1n4a s SER 27 Cb -0.07 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1n4a s SER 27 CO 0.33 -2.38 0.00 -1.22 0.98 0.00 0.00 173.24 170.95 1n4a n TYR 28 N -3.74 0.00 -2.18 5.02 4.02 -1.26 -4.35 117.16 114.66 1n4a n TYR 28 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.55 1n4a n TYR 28 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.42 1n4a n TYR 28 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1n4a n SER 29 N -0.55 4.47 -0.91 7.72 7.64 -1.08 -4.64 113.62 126.27 1n4a n SER 29 Ca 0.00 -2.91 0.11 0.00 1.01 0.00 0.00 58.87 57.08 1n4a n SER 29 Cb 0.28 -1.67 0.27 0.00 -1.01 0.00 0.00 64.21 62.08 1n4a n SER 29 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1n4a n ASP 30 N 6.67 2.71 -3.77 6.43 5.75 -1.26 -3.73 116.55 129.35 1n4a n ASP 30 Ca 0.49 -1.89 -0.14 0.00 -0.01 0.00 0.00 54.79 53.24 1n4a n ASP 30 Cb 0.41 -0.20 -0.15 0.00 -1.03 0.00 0.00 41.12 40.16 1n4a n ASP 30 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1n4a s TYR 31 N -1.61 -0.09 0.98 2.11 5.04 -1.26 -4.11 117.35 118.42 1n4a s TYR 31 Ca 0.36 0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 55.19 1n4a s TYR 31 Cb 0.20 -0.10 0.18 0.00 0.35 0.00 0.00 41.96 42.59 1n4a s TYR 31 CO 0.29 -0.12 1.08 -2.14 -1.34 0.00 0.00 175.55 173.32 1n4a s PRO 32 N 0.91 0.54 0.49 4.97 0.02 -1.26 -4.14 135.00 136.53 1n4a s PRO 32 Ca -0.07 0.80 0.27 0.00 0.02 0.00 0.00 61.00 62.01 1n4a s PRO 32 Cb -0.10 -1.73 1.34 0.00 0.02 0.00 0.00 34.50 34.04 1n4a s PRO 32 CO -0.04 -2.73 1.87 -1.35 -0.33 0.00 0.00 177.00 174.43 1n4a h PRO 33 N -1.90 0.14 -0.62 5.54 0.11 -1.97 0.56 132.00 133.85 1n4a h PRO 33 Ca -0.53 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.65 1n4a h PRO 33 Cb 1.31 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1n4a h PRO 33 CO 0.53 0.09 0.41 1.96 -0.21 0.00 0.00 178.00 180.79 1n4a h GLN 34 N 0.14 0.52 0.00 1.05 4.20 -1.95 -2.02 115.11 117.05 1n4a h GLN 34 Ca 0.44 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1n4a h GLN 34 Cb 1.52 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1n4a h GLN 34 CO -0.07 0.34 -0.05 0.00 -0.67 0.00 0.00 178.83 178.38 1n4a h ALA 35 N 1.67 1.83 0.00 3.87 0.00 -1.16 -2.50 119.26 122.97 1n4a h ALA 35 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n4a h ALA 35 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1n4a h ALA 35 CO -0.08 0.06 0.00 1.96 0.00 0.00 0.00 179.25 181.19 1n4a h GLN 36 N 0.00 0.00 -0.01 0.00 4.20 -1.44 -2.12 115.11 115.73 1n4a h GLN 36 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n4a h GLN 36 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1n4a h GLN 36 CO 0.01 0.00 -0.20 1.63 -0.67 0.00 0.00 178.83 179.60 1n4a n LYS 37 N -3.05 1.33 -3.29 1.46 5.02 -0.94 -4.91 118.16 113.78 1n4a n LYS 37 Ca -0.02 -0.91 -0.38 0.00 -2.02 0.00 0.00 58.31 54.98 1n4a n LYS 37 Cb 0.12 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1n4a n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n4a s ILE 38 N -2.30 4.76 0.55 -0.18 1.01 -0.80 -5.04 121.20 119.20 1n4a s ILE 38 Ca 0.27 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.89 1n4a s ILE 38 Cb 0.20 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1n4a s ILE 38 CO 0.45 0.55 1.29 -1.83 0.00 0.00 0.00 174.94 175.40 1n4a s GLU 39 N -1.13 3.17 -0.04 2.79 -1.05 -1.26 -4.70 118.70 116.48 1n4a s GLU 39 Ca 0.29 2.07 -0.16 0.00 -0.15 0.00 0.00 54.97 57.02 1n4a s GLU 39 Cb -0.19 -2.19 -0.05 0.00 -0.44 0.00 0.00 34.13 31.26 1n4a s GLU 39 CO 0.19 -1.12 0.43 -0.65 0.95 0.00 0.00 175.26 175.06 1n4a s GLN 40 N -2.98 4.07 0.00 -4.83 -0.21 -1.26 -1.41 119.66 113.03 1n4a s GLN 40 Ca 0.72 0.42 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1n4a s GLN 40 Cb -0.36 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1n4a s GLN 40 CO 0.42 0.52 0.45 1.33 -2.12 0.00 0.00 175.29 175.89 1n4a n VAL 41 N 2.41 0.10 -3.48 1.09 0.24 -0.19 -4.90 118.33 113.60 1n4a n VAL 41 Ca -0.12 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 1n4a n VAL 41 Cb 0.52 1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 1n4a n VAL 41 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1n4a s SER 42 N -0.10 -0.49 0.14 -1.34 1.04 -1.25 0.90 113.70 112.59 1n4a s SER 42 Ca 0.00 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1n4a s SER 42 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1n4a s SER 42 CO 0.00 -0.91 0.12 0.35 0.98 0.00 0.00 173.24 173.79 1n4a n THR 43 N -0.21 0.00 -0.29 2.02 -2.24 0.97 -1.61 114.28 112.91 1n4a n THR 43 Ca -0.17 -0.99 0.06 0.00 -2.27 0.00 0.00 64.05 60.68 1n4a n THR 43 Cb 0.64 0.50 0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1n4a n THR 43 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1n4a h TRP 44 N 1.44 -0.22 0.00 4.78 7.01 -1.96 -2.97 115.95 124.04 1n4a h TRP 44 Ca -0.10 0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1n4a h TRP 44 Cb 0.50 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1n4a h TRP 44 CO 0.00 -0.33 0.00 1.04 -2.79 0.00 0.00 178.44 176.36 1n4a n GLN 45 N -5.46 0.68 -1.25 2.65 6.02 -1.26 -4.88 117.38 113.88 1n4a n GLN 45 Ca 0.15 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 1n4a n GLN 45 Cb 0.51 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.90 1n4a n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n4a n GLY 46 N -0.18 5.29 2.46 1.08 0.00 -1.12 -4.98 105.19 107.74 1n4a n GLY 46 Ca 0.00 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 1n4a n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n4a s ASN 48 N -0.33 1.45 0.26 1.61 3.84 0.26 -0.02 114.94 122.01 1n4a s ASN 48 Ca 0.00 -2.70 -0.04 0.00 0.21 0.00 0.00 52.86 50.33 1n4a s ASN 48 Cb 0.00 -0.17 0.32 0.00 -0.55 0.00 0.00 41.25 40.85 1n4a s ASN 48 CO 0.00 -0.19 1.86 -0.07 -2.79 0.00 0.00 177.10 175.91 1n4a h LEU 49 N 5.94 0.96 -0.38 3.21 3.38 -1.98 -0.56 115.31 125.89 1n4a h LEU 49 Ca 0.20 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1n4a h LEU 49 Cb 0.95 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1n4a h LEU 49 CO 0.31 0.82 0.10 -0.33 0.09 0.00 0.00 178.44 179.43 1n4a h GLU 50 N 1.06 0.24 -0.10 1.13 4.39 -1.99 0.88 114.58 120.18 1n4a h GLU 50 Ca 0.26 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.74 1n4a h GLU 50 Cb 0.11 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1n4a h GLU 50 CO -0.03 0.16 -0.77 -0.09 -1.16 0.00 0.00 179.01 177.11 1n4a h ARG 51 N 0.24 0.55 -0.64 2.33 9.65 -1.90 -1.22 114.38 123.40 1n4a h ARG 51 Ca 0.18 -0.46 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1n4a h ARG 51 Cb 0.18 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1n4a h ARG 51 CO -0.21 1.09 0.42 0.82 2.80 0.00 0.00 179.97 184.89 1n4a h ILE 52 N 0.37 1.17 -0.08 1.20 2.04 -0.63 0.38 117.51 121.96 1n4a h ILE 52 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1n4a h ILE 52 Cb 1.37 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1n4a h ILE 52 CO 0.14 0.16 0.02 0.58 0.00 0.00 0.00 178.15 179.05 1n4a h VAL 53 N 0.87 1.19 -0.26 1.67 2.07 -0.78 -2.75 116.25 118.26 1n4a h VAL 53 Ca 0.23 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1n4a h VAL 53 Cb -0.09 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1n4a h VAL 53 CO -0.05 0.16 0.18 0.00 0.02 0.00 0.00 177.57 177.88 1n4a h ALA 54 N 0.81 1.94 0.00 1.67 0.00 -0.80 -0.06 119.26 122.81 1n4a h ALA 54 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n4a h ALA 54 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n4a h ALA 54 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1n4a n LEU 55 N -4.50 0.00 -3.84 0.00 4.77 0.13 -4.93 117.00 108.62 1n4a n LEU 55 Ca 0.02 0.40 -0.35 0.00 -0.03 0.00 0.00 56.01 56.05 1n4a n LEU 55 Cb 0.15 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1n4a n LEU 55 CO 0.35 -0.11 -0.13 0.29 -1.33 0.00 0.00 177.39 176.45 1n4a n LYS 56 N -1.40 -0.88 -2.75 3.23 5.02 -0.04 -4.93 118.16 116.42 1n4a n LYS 56 Ca 0.08 0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 56.46 1n4a n LYS 56 Cb 0.21 -3.05 -0.06 0.00 -0.02 0.00 0.00 35.03 32.12 1n4a n LYS 56 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1n4a s PRO 57 N -6.17 4.13 0.05 1.97 0.04 -1.26 -4.82 135.00 128.94 1n4a s PRO 57 Ca 0.33 1.16 0.15 0.00 0.04 0.00 0.00 61.00 62.69 1n4a s PRO 57 Cb -0.16 -2.16 -0.15 0.00 0.04 0.00 0.00 34.50 32.07 1n4a s PRO 57 CO 0.91 -0.12 0.84 -0.44 0.04 0.00 0.00 177.00 178.23 1n4a h ASP 58 N 1.80 0.00 -3.77 6.66 3.32 -0.43 -3.45 116.42 120.55 1n4a h ASP 58 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 1n4a h ASP 58 Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 1n4a h ASP 58 CO 0.61 0.71 -0.32 -0.22 -1.72 0.00 0.00 179.24 178.30 1n4a s LEU 59 N -5.95 0.60 -0.21 1.55 2.96 -1.05 -4.25 118.68 112.33 1n4a s LEU 59 Ca -0.03 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1n4a s LEU 59 Cb 0.08 1.17 0.02 0.00 0.50 0.00 0.00 46.19 47.97 1n4a s LEU 59 CO 0.81 -0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.88 1n4a s VAL 60 N 0.35 2.37 -0.57 1.68 1.01 0.21 -1.71 120.40 123.75 1n4a s VAL 60 Ca -0.01 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1n4a s VAL 60 Cb -0.03 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1n4a s VAL 60 CO -0.01 0.39 0.74 -0.63 0.00 0.00 0.00 175.10 175.58 1n4a s ILE 61 N 1.29 4.72 0.44 2.22 1.01 0.94 -4.30 121.20 127.53 1n4a s ILE 61 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1n4a s ILE 61 Cb -0.15 -4.46 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1n4a s ILE 61 CO -0.09 -1.07 0.66 0.00 0.00 0.00 0.00 174.94 174.44 1n4a s ALA 62 N 2.99 3.75 -0.27 9.38 0.00 -1.26 -1.27 121.76 135.08 1n4a s ALA 62 Ca 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1n4a s ALA 62 Cb -0.20 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.84 1n4a s ALA 62 CO 0.10 -0.35 -0.08 -0.46 0.00 0.00 0.00 175.76 174.96 1n4a s TRP 63 N -2.54 3.25 -0.05 0.00 -0.00 -1.26 -0.32 118.94 118.02 1n4a s TRP 63 Ca 0.48 -2.37 -0.29 0.00 -0.00 0.00 0.00 56.10 53.92 1n4a s TRP 63 Cb -0.10 -2.03 -0.07 0.00 -0.00 0.00 0.00 33.47 31.27 1n4a s TRP 63 CO 0.38 -0.88 1.96 1.03 -0.00 0.00 0.00 176.95 179.43 1n4a s ARG 64 N 1.10 3.89 0.00 5.86 0.52 -0.17 -1.16 118.95 129.00 1n4a s ARG 64 Ca -0.06 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1n4a s ARG 64 Cb -0.20 -4.18 0.00 0.00 0.52 0.00 0.00 34.95 31.09 1n4a s ARG 64 CO -0.06 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 174.45 1n4a n GLY 65 N 4.78 2.56 0.09 -3.53 0.00 -1.26 -4.81 105.19 103.02 1n4a n GLY 65 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1n4a n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4a n GLY 66 N -0.34 -0.88 3.80 -0.02 0.00 -0.31 -4.92 105.19 102.53 1n4a n GLY 66 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1n4a n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n4a s ASN 67 N -6.33 7.07 0.08 1.61 0.01 -0.64 -4.94 114.94 111.80 1n4a s ASN 67 Ca -0.23 1.27 -0.31 0.00 -0.71 0.00 0.00 52.86 52.89 1n4a s ASN 67 Cb 0.04 -2.37 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 1n4a s ASN 67 CO 0.41 0.25 1.65 0.00 -1.51 0.00 0.00 177.10 177.91 1n4a s ALA 68 N -1.01 3.70 0.33 0.60 0.00 -1.26 -4.86 121.76 119.26 1n4a s ALA 68 Ca 0.30 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1n4a s ALA 68 Cb -0.20 -3.69 0.56 0.00 0.00 0.00 0.00 23.12 19.79 1n4a s ALA 68 CO 0.19 -1.08 1.98 0.93 0.00 0.00 0.00 175.76 177.78 1n4a h GLU 69 N 8.19 0.89 -0.14 0.00 5.08 -1.96 -1.20 114.58 125.44 1n4a h GLU 69 Ca -0.43 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1n4a h GLU 69 Cb 1.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1n4a h GLU 69 CO 0.93 0.62 0.09 -0.09 -1.00 0.00 0.00 179.01 179.56 1n4a h ARG 70 N 0.91 0.17 0.01 2.33 2.43 -1.99 0.32 114.38 118.56 1n4a h ARG 70 Ca 0.24 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1n4a h ARG 70 Cb -0.05 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1n4a h ARG 70 CO -0.05 0.11 -0.01 1.96 -1.51 0.00 0.00 179.97 180.48 1n4a h GLN 71 N 0.17 -0.02 -0.72 0.20 4.20 -1.67 -3.32 115.11 113.96 1n4a h GLN 71 Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1n4a h GLN 71 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1n4a h GLN 71 CO -0.01 0.57 0.38 0.28 -0.67 0.00 0.00 178.83 179.38 1n4a h VAL 72 N -0.99 1.22 -0.00 -0.54 2.07 -1.04 -2.61 116.25 114.36 1n4a h VAL 72 Ca -0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1n4a h VAL 72 Cb 0.59 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1n4a h VAL 72 CO 0.00 0.25 0.00 0.44 0.02 0.00 0.00 177.57 178.29 1n4a h ASP 73 N 0.99 0.00 0.23 0.57 3.32 -0.53 -1.25 116.42 119.75 1n4a h ASP 73 Ca 0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1n4a h ASP 73 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1n4a h ASP 73 CO -0.04 0.00 -0.10 1.56 -1.72 0.00 0.00 179.24 178.94 1n4a h GLN 74 N 0.00 0.00 -0.06 3.56 4.20 -1.56 -1.76 115.11 119.49 1n4a h GLN 74 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1n4a h GLN 74 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1n4a h GLN 74 CO -0.00 0.10 -0.47 -0.07 -0.67 0.00 0.00 178.83 177.72 1n4a h LEU 75 N 0.00 0.15 -0.63 1.46 3.38 -1.38 -2.93 115.31 115.36 1n4a h LEU 75 Ca -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n4a h LEU 75 Cb 0.24 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1n4a h LEU 75 CO 0.01 0.60 0.33 0.00 0.09 0.00 0.00 178.44 179.47 1n4a h ALA 76 N 1.40 0.81 -0.01 1.53 0.00 -1.45 -0.61 119.26 120.93 1n4a h ALA 76 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n4a h ALA 76 Cb 0.88 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1n4a h ALA 76 CO 0.07 0.35 0.01 0.77 0.00 0.00 0.00 179.25 180.45 1n4a h SER 77 N 0.86 0.00 -0.51 0.00 0.02 -1.54 -0.61 113.55 111.78 1n4a h SER 77 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1n4a h SER 77 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1n4a h SER 77 CO -0.03 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.84 1n4a n LEU 78 N -4.31 3.10 -0.89 5.07 4.77 -0.61 -4.95 117.00 119.18 1n4a n LEU 78 Ca -0.03 -1.48 -0.11 0.00 -0.03 0.00 0.00 56.01 54.36 1n4a n LEU 78 Cb 0.10 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1n4a n LEU 78 CO 0.32 0.74 -0.11 0.61 -1.33 0.00 0.00 177.39 177.62 1n4a n GLY 79 N 1.43 0.96 3.67 -0.72 0.00 -0.23 -5.01 105.19 105.30 1n4a n GLY 79 Ca 0.19 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1n4a n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4a s ILE 80 N -2.42 5.21 0.14 -0.61 1.01 -0.33 -5.02 121.20 119.19 1n4a s ILE 80 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 60.65 61.02 1n4a s ILE 80 Cb 0.00 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 1n4a s ILE 80 CO 0.00 0.27 1.35 -0.54 0.00 0.00 0.00 174.94 176.01 1n4a s LYS 81 N 1.23 4.35 0.00 2.79 1.02 -1.26 -4.24 119.74 123.63 1n4a s LYS 81 Ca 0.18 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1n4a s LYS 81 Cb -0.15 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1n4a s LYS 81 CO 0.08 -0.36 0.00 0.28 -0.92 0.00 0.00 175.35 174.43 1n4a n VAL 82 N 3.47 0.00 -3.50 3.17 0.31 -1.26 -0.62 118.33 119.90 1n4a n VAL 82 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1n4a n VAL 82 Cb 0.43 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.32 1n4a n VAL 82 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1n4a s TRP 84 N 0.30 -1.13 -0.10 3.52 0.52 -1.26 -4.94 118.94 115.85 1n4a s TRP 84 Ca 0.00 1.84 -0.01 0.00 0.02 0.00 0.00 56.10 57.94 1n4a s TRP 84 Cb 0.00 0.63 -0.03 0.00 -1.15 0.00 0.00 33.47 32.92 1n4a s TRP 84 CO 0.00 -0.57 -0.04 0.08 0.02 0.00 0.00 176.95 176.44 1n4a s VAL 85 N 2.75 3.95 -0.43 4.03 1.01 0.57 -4.89 120.40 127.39 1n4a s VAL 85 Ca -0.02 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1n4a s VAL 85 Cb -0.10 -2.66 0.32 0.00 0.00 0.00 0.00 36.38 33.94 1n4a s VAL 85 CO -0.18 0.57 0.95 -0.67 0.00 0.00 0.00 175.10 175.77 1n4a n ASP 86 N 2.61 -1.18 -4.66 3.32 2.03 -1.26 -0.99 116.55 116.41 1n4a n ASP 86 Ca -0.18 -3.41 -0.42 0.00 0.52 0.00 0.00 54.79 51.29 1n4a n ASP 86 Cb 0.53 0.96 -0.03 0.00 -0.72 0.00 0.00 41.12 41.86 1n4a n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n4a s ALA 87 N -0.71 3.63 -0.79 -1.67 0.00 -1.26 -4.86 121.76 116.10 1n4a s ALA 87 Ca 0.29 0.84 0.08 0.00 0.00 0.00 0.00 51.96 53.18 1n4a s ALA 87 Cb 0.30 -3.70 0.22 0.00 0.00 0.00 0.00 23.12 19.94 1n4a s ALA 87 CO -0.07 -1.28 1.14 0.25 0.00 0.00 0.00 175.76 175.80 1n4a n THR 88 N 5.33 0.85 -3.74 0.00 -2.24 -1.26 -4.53 114.28 108.68 1n4a n THR 88 Ca 0.16 -0.93 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 1n4a n THR 88 Cb 0.43 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1n4a n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n4a s SER 89 N -0.96 -0.27 0.21 3.42 1.04 -1.26 -2.57 113.70 113.31 1n4a s SER 89 Ca 0.17 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 1n4a s SER 89 Cb 0.09 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.97 1n4a s SER 89 CO 0.12 -1.09 1.78 0.40 0.98 0.00 0.00 173.24 175.43 1n4a h ILE 90 N 2.16 1.26 -0.82 -1.02 1.08 -1.95 -2.40 117.51 115.82 1n4a h ILE 90 Ca -0.28 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 1n4a h ILE 90 Cb 1.26 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1n4a h ILE 90 CO 0.35 0.34 0.54 -0.33 -0.69 0.00 0.00 178.15 178.36 1n4a h GLU 91 N 1.17 1.07 0.00 2.37 3.07 -1.98 -1.69 114.58 118.58 1n4a h GLU 91 Ca 0.27 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1n4a h GLU 91 Cb 0.21 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1n4a h GLU 91 CO -0.02 0.71 -0.56 1.96 -1.40 0.00 0.00 179.01 179.69 1n4a h GLN 92 N 1.11 0.00 -0.20 2.33 4.20 -1.86 -0.83 115.11 119.86 1n4a h GLN 92 Ca 0.30 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 1n4a h GLN 92 Cb -0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1n4a h GLN 92 CO -0.07 0.56 -0.18 0.82 -0.67 0.00 0.00 178.83 179.30 1n4a h ILE 93 N 0.00 1.33 -0.75 2.54 2.04 -0.94 -0.23 117.51 121.50 1n4a h ILE 93 Ca -0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 1n4a h ILE 93 Cb 1.06 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1n4a h ILE 93 CO 0.07 0.40 0.37 0.00 0.00 0.00 0.00 178.15 178.99 1n4a h ALA 94 N 0.65 0.96 -0.83 1.87 0.00 -1.24 -1.77 119.26 118.90 1n4a h ALA 94 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n4a h ALA 94 Cb 0.72 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1n4a h ALA 94 CO 0.05 0.52 0.44 -0.97 0.00 0.00 0.00 179.25 179.28 1n4a h ASN 95 N 1.04 1.06 -0.66 0.00 -1.24 -0.98 -1.50 115.58 113.31 1n4a h ASN 95 Ca 0.26 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1n4a h ASN 95 Cb 0.11 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1n4a h ASN 95 CO -0.03 0.87 0.34 0.00 -1.29 0.00 0.00 177.43 177.31 1n4a h ALA 96 N 1.23 0.85 -0.47 1.57 0.00 -0.50 -0.83 119.26 121.11 1n4a h ALA 96 Ca 0.29 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1n4a h ALA 96 Cb 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1n4a h ALA 96 CO -0.04 0.39 0.31 -0.07 0.00 0.00 0.00 179.25 179.83 1n4a h LEU 97 N 0.91 0.52 -1.21 0.00 3.38 -0.90 -1.91 115.31 116.10 1n4a h LEU 97 Ca 0.23 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1n4a h LEU 97 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1n4a h LEU 97 CO -0.03 0.38 0.02 0.03 0.09 0.00 0.00 178.44 178.92 1n4a h ARG 98 N 0.62 0.57 0.00 1.13 3.08 -0.87 -1.69 114.38 117.22 1n4a h ARG 98 Ca 0.18 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1n4a h ARG 98 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1n4a h ARG 98 CO -0.05 0.57 -0.17 1.96 -1.07 0.00 0.00 179.97 181.21 1n4a h GLN 99 N 0.54 0.00 -0.00 0.04 1.08 -0.62 -2.86 115.11 113.29 1n4a h GLN 99 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1n4a h GLN 99 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1n4a h GLN 99 CO 0.01 0.17 -0.33 1.28 -0.95 0.00 0.00 178.83 179.01 1n4a n LEU 100 N -3.42 0.44 -0.10 1.46 4.77 -0.65 -4.29 117.00 115.21 1n4a n LEU 100 Ca -0.00 0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 1n4a n LEU 100 Cb 0.36 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1n4a n LEU 100 CO 0.32 0.10 0.80 0.00 -1.33 0.00 0.00 177.39 177.27 1n4a h ALA 101 N 3.14 0.22 -0.32 -1.18 0.00 -1.32 -1.39 119.26 118.41 1n4a h ALA 101 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1n4a h ALA 101 Cb 0.49 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n4a h ALA 101 CO 0.00 -0.46 0.27 -1.35 0.00 0.00 0.00 179.25 177.71 1n4a h PRO 102 N -0.01 0.00 -0.27 0.00 0.11 -1.80 -0.42 132.00 129.61 1n4a h PRO 102 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1n4a h PRO 102 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1n4a h PRO 102 CO -0.35 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.35 1n4a n TRP 103 N -4.11 0.34 -4.32 0.65 7.02 -0.54 -4.93 117.44 111.56 1n4a n TRP 103 Ca 0.05 -0.17 -0.32 0.00 -1.02 0.00 0.00 57.50 56.03 1n4a n TRP 103 Cb 0.43 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.23 1n4a n TRP 103 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1n4a s SER 104 N -1.45 4.94 0.48 -0.99 0.15 -0.17 -4.49 113.70 112.18 1n4a s SER 104 Ca 0.33 -0.08 0.32 0.00 0.70 0.00 0.00 55.95 57.22 1n4a s SER 104 Cb 0.18 -1.23 1.38 0.00 -1.71 0.00 0.00 66.02 64.65 1n4a s SER 104 CO 0.26 0.27 1.95 1.55 1.20 0.00 0.00 173.24 178.46 1n4a h PRO 105 N 4.27 0.00 -2.30 5.44 0.13 -1.86 -3.28 132.00 134.40 1n4a h PRO 105 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 1n4a h PRO 105 Cb 1.17 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 1n4a h PRO 105 CO 0.56 0.00 -0.93 1.04 -0.23 0.00 0.00 178.00 178.44 1n4a n GLN 106 N -2.83 0.86 0.23 0.86 6.02 -1.26 -4.98 117.38 116.27 1n4a n GLN 106 Ca 0.00 -3.53 0.18 0.00 -0.01 0.00 0.00 57.00 53.64 1n4a n GLN 106 Cb 0.25 -1.65 0.85 0.00 1.02 0.00 0.00 30.24 30.70 1n4a n GLN 106 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1n4a h PRO 107 N 4.84 0.00 0.00 -1.09 0.13 -1.74 -0.82 132.00 133.33 1n4a h PRO 107 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1n4a h PRO 107 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1n4a h PRO 107 CO 0.50 0.00 -0.27 0.22 -0.23 0.00 0.00 178.00 178.23 1n4a h ASP 108 N 0.00 0.00 0.03 1.44 3.58 -1.91 -2.85 116.42 116.72 1n4a h ASP 108 Ca 0.08 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 1n4a h ASP 108 Cb 0.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1n4a h ASP 108 CO -0.00 0.27 -0.41 0.50 -2.88 0.00 0.00 179.24 176.72 1n4a h LYS 109 N 0.00 0.48 -0.21 0.28 3.64 -1.40 -1.81 116.57 117.54 1n4a h LYS 109 Ca -0.00 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1n4a h LYS 109 Cb 0.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1n4a h LYS 109 CO 0.03 0.80 -0.07 0.00 -2.27 0.00 0.00 179.45 177.95 1n4a h ALA 110 N 1.17 0.29 -0.55 5.00 0.00 -1.58 -1.28 119.26 122.32 1n4a h ALA 110 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1n4a h ALA 110 Cb 0.88 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1n4a h ALA 110 CO 0.07 0.10 0.28 0.93 0.00 0.00 0.00 179.25 180.63 1n4a h GLU 111 N 0.14 0.79 -0.50 0.00 4.39 -1.44 -0.88 114.58 117.08 1n4a h GLU 111 Ca 0.05 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1n4a h GLU 111 Cb 0.54 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1n4a h GLU 111 CO 0.03 0.63 0.02 1.96 -1.16 0.00 0.00 179.01 180.49 1n4a h GLN 112 N 0.74 0.87 -0.88 2.33 4.20 -1.31 -1.26 115.11 119.82 1n4a h GLN 112 Ca 0.19 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1n4a h GLN 112 Cb 0.10 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1n4a h GLN 112 CO -0.03 0.90 0.56 0.00 -0.67 0.00 0.00 178.83 179.59 1n4a h ALA 113 N 0.94 1.11 -0.28 3.87 0.00 -0.98 0.11 119.26 124.03 1n4a h ALA 113 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1n4a h ALA 113 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n4a h ALA 113 CO 0.02 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1n4a h ALA 114 N 1.31 0.38 -0.41 0.00 0.00 -0.94 -2.19 119.26 117.41 1n4a h ALA 114 Ca 0.32 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1n4a h ALA 114 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n4a h ALA 114 CO -0.07 0.17 -0.05 0.37 0.00 0.00 0.00 179.25 179.67 1n4a h GLN 115 N 0.29 0.76 -0.76 0.00 5.75 -0.91 -1.81 115.11 118.43 1n4a h GLN 115 Ca 0.07 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1n4a h GLN 115 Cb 0.50 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1n4a h GLN 115 CO 0.02 0.87 0.44 1.03 -2.65 0.00 0.00 178.83 178.55 1n4a h SER 116 N 0.58 0.93 -0.38 -0.69 0.87 -0.81 0.88 113.55 114.94 1n4a h SER 116 Ca 0.11 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1n4a h SER 116 Cb 0.56 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1n4a h SER 116 CO 0.03 0.73 0.23 0.25 -0.53 0.00 0.00 176.83 177.54 1n4a h LEU 117 N 1.04 0.45 -0.52 2.23 5.85 -1.21 0.67 115.31 123.83 1n4a h LEU 117 Ca 0.27 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1n4a h LEU 117 Cb -0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1n4a h LEU 117 CO -0.05 0.38 0.24 -0.07 -0.34 0.00 0.00 178.44 178.59 1n4a h LEU 118 N 0.50 0.69 -0.27 2.25 3.38 -0.95 -1.34 115.31 119.56 1n4a h LEU 118 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1n4a h LEU 118 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1n4a h LEU 118 CO -0.03 0.64 0.13 0.44 0.09 0.00 0.00 178.44 179.72 1n4a h ASP 119 N 0.69 0.35 -0.43 -0.43 3.32 -0.48 -1.54 116.42 117.91 1n4a h ASP 119 Ca 0.18 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1n4a h ASP 119 Cb 0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1n4a h ASP 119 CO -0.02 0.37 0.03 1.56 -1.72 0.00 0.00 179.24 179.47 1n4a h GLN 120 N 0.30 0.81 -0.13 3.56 4.20 -0.76 -2.21 115.11 120.89 1n4a h GLN 120 Ca 0.09 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1n4a h GLN 120 Cb 0.11 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1n4a h GLN 120 CO -0.01 0.79 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.97 1n4a h TYR 121 N 0.76 0.29 -0.66 2.96 3.20 -1.08 -2.56 116.97 119.88 1n4a h TYR 121 Ca 0.15 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1n4a h TYR 121 Cb 0.41 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1n4a h TYR 121 CO 0.02 0.57 0.41 0.00 -1.64 0.00 0.00 178.16 177.53 1n4a h ALA 122 N 0.67 0.87 -0.41 1.82 0.00 -1.22 -0.21 119.26 120.78 1n4a h ALA 122 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1n4a h ALA 122 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1n4a h ALA 122 CO 0.02 0.17 0.21 0.37 0.00 0.00 0.00 179.25 180.01 1n4a h GLN 123 N 0.80 0.41 -0.63 0.00 4.15 -1.39 -0.99 115.11 117.46 1n4a h GLN 123 Ca 0.27 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 1n4a h GLN 123 Cb 0.03 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1n4a h GLN 123 CO -0.11 0.27 0.15 1.25 -1.93 0.00 0.00 178.83 178.46 1n4a h LEU 124 N 0.42 0.96 -0.39 -2.39 5.85 -1.02 -0.13 115.31 118.60 1n4a h LEU 124 Ca 0.17 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1n4a h LEU 124 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1n4a h LEU 124 CO -0.12 0.94 0.25 0.50 -0.34 0.00 0.00 178.44 179.68 1n4a h LYS 125 N 0.93 0.50 -0.46 1.25 3.64 -0.66 -1.22 116.57 120.56 1n4a h LYS 125 Ca 0.20 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1n4a h LYS 125 Cb 0.36 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1n4a h LYS 125 CO 0.00 0.33 -0.06 0.00 -2.27 0.00 0.00 179.45 177.45 1n4a h ALA 126 N 1.15 0.63 -0.27 5.00 0.00 -1.00 -1.82 119.26 122.93 1n4a h ALA 126 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n4a h ALA 126 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1n4a h ALA 126 CO -0.04 0.48 0.08 0.37 0.00 0.00 0.00 179.25 180.14 1n4a h GLN 127 N 0.69 0.39 -0.33 0.00 4.15 -0.68 -3.05 115.11 116.28 1n4a h GLN 127 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1n4a h GLN 127 Cb 0.59 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1n4a h GLN 127 CO 0.04 0.35 0.00 0.66 -1.93 0.00 0.00 178.83 177.95 1n4a n TYR 128 N -4.39 0.49 0.31 3.99 4.02 -0.49 -4.60 117.16 116.49 1n4a n TYR 128 Ca 0.01 -0.53 0.19 0.00 -0.01 0.00 0.00 57.90 57.56 1n4a n TYR 128 Cb 0.15 -0.05 1.01 0.00 -0.02 0.00 0.00 39.34 40.43 1n4a n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n4a h ALA 129 N 1.95 1.16 0.00 -0.72 0.00 -1.21 -2.64 119.26 117.80 1n4a h ALA 129 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n4a h ALA 129 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n4a h ALA 129 CO 0.02 0.03 -0.35 -0.44 0.00 0.00 0.00 179.25 178.50 1n4a h ASP 130 N 0.00 0.00 -3.67 0.00 3.32 -1.81 -3.47 116.42 110.79 1n4a h ASP 130 Ca -0.00 -0.02 -0.54 0.00 0.02 0.00 0.00 57.03 56.49 1n4a h ASP 130 Cb 0.12 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.77 1n4a h ASP 130 CO 0.00 0.01 0.79 0.29 -1.72 0.00 0.00 179.24 178.62 1n4a n LYS 131 N -2.78 2.65 -2.25 3.56 4.76 -1.00 -4.96 118.16 118.14 1n4a n LYS 131 Ca 0.03 0.93 -0.36 0.00 -2.87 0.00 0.00 58.31 56.05 1n4a n LYS 131 Cb 0.52 -2.67 -0.00 0.00 -1.84 0.00 0.00 35.03 31.03 1n4a n LYS 131 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1n4a s PRO 132 N -1.57 3.45 0.39 1.97 0.02 -1.26 -4.84 135.00 133.17 1n4a s PRO 132 Ca 0.57 1.67 -0.26 0.00 0.02 0.00 0.00 61.00 63.00 1n4a s PRO 132 Cb -0.49 -2.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.83 1n4a s PRO 132 CO 0.59 -0.78 1.22 -1.59 -0.33 0.00 0.00 177.00 176.11 1n4a s LYS 133 N -3.12 4.10 -0.03 5.54 -2.85 -1.26 -4.81 119.74 117.30 1n4a s LYS 133 Ca 0.70 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.66 1n4a s LYS 133 Cb -0.25 -2.78 0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1n4a s LYS 133 CO 0.29 -0.32 -0.00 0.15 0.10 0.00 0.00 175.35 175.57 1n4a s LYS 134 N -2.16 0.37 0.01 1.78 1.02 -0.59 -4.98 119.74 115.18 1n4a s LYS 134 Ca 0.55 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.30 1n4a s LYS 134 Cb -0.34 -0.55 -0.06 0.00 -0.52 0.00 0.00 37.83 36.35 1n4a s LYS 134 CO 0.44 -0.14 1.55 1.03 -0.92 0.00 0.00 175.35 177.30 1n4a s ARG 135 N 1.09 4.23 -0.01 1.68 0.52 -1.26 -0.47 118.95 124.73 1n4a s ARG 135 Ca -0.09 2.14 0.04 0.00 -0.52 0.00 0.00 55.73 57.30 1n4a s ARG 135 Cb -0.14 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.64 1n4a s ARG 135 CO -0.02 -0.70 -0.12 0.08 0.02 0.00 0.00 175.30 174.57 1n4a s VAL 136 N 2.90 0.91 -0.26 3.52 1.01 0.44 0.35 120.40 129.28 1n4a s VAL 136 Ca 0.69 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1n4a s VAL 136 Cb -0.34 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1n4a s VAL 136 CO 0.29 0.26 0.10 0.12 0.00 0.00 0.00 175.10 175.87 1n4a s PHE 137 N -0.27 3.12 -0.54 5.22 5.36 -0.68 -2.04 117.98 128.15 1n4a s PHE 137 Ca 0.04 -0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 55.53 1n4a s PHE 137 Cb -0.04 -2.28 0.06 0.00 -0.34 0.00 0.00 43.02 40.42 1n4a s PHE 137 CO -0.00 -0.30 0.78 -0.51 -1.46 0.00 0.00 175.22 173.72 1n4a s LEU 138 N 1.64 4.61 -0.20 6.12 1.43 -1.26 -0.87 118.68 130.15 1n4a s LEU 138 Ca 0.07 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1n4a s LEU 138 Cb -0.15 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1n4a s LEU 138 CO 0.06 -1.08 0.24 -1.58 0.23 0.00 0.00 176.35 174.22 1n4a s GLN 139 N 3.25 4.17 -0.40 1.70 0.74 0.51 -4.28 119.66 125.36 1n4a s GLN 139 Ca 0.21 -0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.60 1n4a s GLN 139 Cb -0.17 -3.48 0.11 0.00 1.10 0.00 0.00 33.01 30.57 1n4a s GLN 139 CO 0.14 0.13 0.15 -0.06 -0.55 0.00 0.00 175.29 175.11 1n4a s PHE 140 N 0.82 2.88 0.00 1.67 0.40 0.02 -4.20 117.98 119.57 1n4a s PHE 140 Ca 0.13 -2.71 0.00 0.00 -0.60 0.00 0.00 56.93 53.75 1n4a s PHE 140 Cb -0.13 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1n4a s PHE 140 CO 0.04 -0.85 0.00 0.41 0.70 0.00 0.00 175.22 175.52 1n4a n GLY 141 N 3.91 0.57 0.00 4.36 0.00 -1.26 -1.73 105.19 111.04 1n4a n GLY 141 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1n4a n GLY 141 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n4a n ILE 142 N 0.86 0.00 -3.96 -0.61 -5.35 -1.26 -4.45 119.36 104.59 1n4a n ILE 142 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 1n4a n ILE 142 Cb 0.00 0.25 -0.15 0.00 -1.74 0.00 0.00 39.64 38.00 1n4a n ILE 142 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1n4a s ASN 143 N -1.74 4.61 0.12 7.28 2.20 -1.26 -3.22 114.94 122.94 1n4a s ASN 143 Ca 0.00 -2.04 -0.17 0.00 -0.94 0.00 0.00 52.86 49.71 1n4a s ASN 143 Cb 0.00 -1.48 -0.03 0.00 -2.00 0.00 0.00 41.25 37.74 1n4a s ASN 143 CO 0.00 -0.38 1.66 -0.65 -2.94 0.00 0.00 177.10 174.79 1n4a h PRO 144 N 7.71 0.51 0.00 3.55 0.11 -1.92 -3.48 132.00 138.49 1n4a h PRO 144 Ca -0.06 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1n4a h PRO 144 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1n4a h PRO 144 CO 0.51 0.51 0.00 -0.35 -0.21 0.00 0.00 178.00 178.46 1n4a n PRO 145 N -4.70 0.57 -4.51 1.05 -0.04 -1.20 -4.80 135.00 121.38 1n4a n PRO 145 Ca -0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.20 1n4a n PRO 145 Cb 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.50 1n4a n PRO 145 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n4a s PHE 146 N 0.08 2.30 0.36 0.54 0.40 -0.70 -0.30 117.98 120.65 1n4a s PHE 146 Ca 0.00 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1n4a s PHE 146 Cb 0.00 -1.24 0.02 0.00 0.51 0.00 0.00 43.02 42.31 1n4a s PHE 146 CO 0.00 0.57 0.54 -2.37 0.70 0.00 0.00 175.22 174.66 1n4a n THR 147 N -0.71 0.00 -4.23 0.64 5.66 -0.57 -0.80 114.28 114.26 1n4a n THR 147 Ca -0.05 -1.65 -0.29 0.00 -3.05 0.00 0.00 64.05 59.00 1n4a n THR 147 Cb 0.63 1.08 -0.10 0.00 -1.55 0.00 0.00 70.33 70.39 1n4a n THR 147 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1n4a s SER 148 N -3.16 4.36 0.00 1.09 0.15 -1.26 -3.04 113.70 111.85 1n4a s SER 148 Ca 0.27 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1n4a s SER 148 Cb -0.02 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1n4a s SER 148 CO 0.19 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1n4a n GLY 149 N 0.63 0.95 0.16 9.45 0.00 -1.26 -4.66 105.19 110.46 1n4a n GLY 149 Ca -0.13 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.12 1n4a n GLY 149 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n4a h LYS 150 N 0.00 0.00 -3.93 1.61 2.10 -1.75 -3.40 116.57 111.20 1n4a h LYS 150 Ca 0.00 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.90 1n4a h LYS 150 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1n4a h LYS 150 CO 0.00 0.44 1.88 0.39 -2.00 0.00 0.00 179.45 180.16 1n4a n GLU 151 N -3.33 3.51 -3.47 0.07 -0.58 -1.26 -4.69 120.64 110.89 1n4a n GLU 151 Ca 0.01 -3.58 -0.12 0.00 -0.42 0.00 0.00 57.16 53.05 1n4a n GLU 151 Cb 0.64 -2.98 -0.03 0.00 -0.57 0.00 0.00 31.44 28.50 1n4a n GLU 151 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1n4a s SER 152 N 1.57 -0.50 0.39 1.62 1.04 -1.24 -4.90 113.70 111.68 1n4a s SER 152 Ca 0.41 -0.05 0.18 0.00 0.48 0.00 0.00 55.95 56.98 1n4a s SER 152 Cb 0.06 0.57 0.76 0.00 0.10 0.00 0.00 66.02 67.51 1n4a s SER 152 CO 0.00 -0.93 1.78 -0.29 0.98 0.00 0.00 173.24 174.78 1n4a h ILE 153 N 2.11 0.94 -0.40 -1.02 6.09 -1.73 -2.06 117.51 121.44 1n4a h ILE 153 Ca -0.34 -1.40 -0.14 0.00 -1.37 0.00 0.00 64.86 61.61 1n4a h ILE 153 Cb 1.29 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.41 1n4a h ILE 153 CO 0.40 0.35 -0.32 1.56 -3.07 0.00 0.00 178.15 177.07 1n4a h GLN 154 N 0.00 0.91 -0.38 2.19 7.50 -1.88 -1.17 115.11 122.29 1n4a h GLN 154 Ca -0.00 -0.45 -0.13 0.00 0.50 0.00 0.00 58.65 58.56 1n4a h GLN 154 Cb 0.80 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.32 1n4a h GLN 154 CO 0.05 1.11 -0.29 -0.97 -1.50 0.00 0.00 178.83 177.23 1n4a h ASN 155 N 0.73 0.83 -0.48 1.46 -1.24 -1.79 -1.97 115.58 113.13 1n4a h ASN 155 Ca 0.07 -0.33 -0.05 0.00 0.71 0.00 0.00 56.30 56.70 1n4a h ASN 155 Cb 0.90 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 1n4a h ASN 155 CO 0.08 1.07 0.09 -0.61 -1.29 0.00 0.00 177.43 176.77 1n4a h GLN 156 N 0.68 0.78 -0.76 6.67 4.15 -1.25 -1.57 115.11 123.81 1n4a h GLN 156 Ca 0.08 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1n4a h GLN 156 Cb 0.83 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 1n4a h GLN 156 CO 0.07 0.78 0.28 0.28 -1.93 0.00 0.00 178.83 178.31 1n4a h VAL 157 N 0.65 1.26 -0.38 2.39 2.07 -1.15 -1.75 116.25 119.34 1n4a h VAL 157 Ca 0.15 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1n4a h VAL 157 Cb 0.36 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1n4a h VAL 157 CO 0.01 0.34 0.22 0.25 0.02 0.00 0.00 177.57 178.41 1n4a h LEU 158 N 1.12 0.47 -0.94 2.57 5.85 -1.08 -2.50 115.31 120.79 1n4a h LEU 158 Ca 0.25 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1n4a h LEU 158 Cb 0.25 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1n4a h LEU 158 CO -0.02 0.41 0.03 -0.33 -0.34 0.00 0.00 178.44 178.19 1n4a h GLU 159 N 0.50 0.81 0.00 1.25 5.08 -1.04 0.15 114.58 121.32 1n4a h GLU 159 Ca 0.14 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1n4a h GLU 159 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1n4a h GLU 159 CO -0.02 0.79 -0.22 0.28 -1.00 0.00 0.00 179.01 178.84 1n4a h VAL 160 N 0.76 1.03 -0.37 3.13 2.07 -1.08 -2.00 116.25 119.79 1n4a h VAL 160 Ca 0.15 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1n4a h VAL 160 Cb 0.42 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1n4a h VAL 160 CO 0.01 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1n4a n GLY 162 N 0.79 0.50 3.93 0.00 0.00 -0.75 -4.80 105.19 104.86 1n4a n GLY 162 Ca 0.14 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 1n4a n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n4a s GLY 163 N -2.62 1.83 -0.21 -0.02 0.00 0.45 -1.55 107.32 105.20 1n4a s GLY 163 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1n4a s GLY 163 CO 0.00 -0.85 -0.10 1.85 0.00 0.00 0.00 173.10 174.00 1n4a s GLU 164 N -3.17 2.03 -0.01 2.90 2.12 0.38 -3.77 118.70 119.17 1n4a s GLU 164 Ca 0.37 -0.92 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 1n4a s GLU 164 Cb -0.11 -2.49 -0.07 0.00 0.26 0.00 0.00 34.13 31.72 1n4a s GLU 164 CO 0.28 -0.46 1.72 1.21 -0.54 0.00 0.00 175.26 177.48 1n4a s ASN 165 N 1.36 6.61 0.06 -1.70 3.04 -1.26 -0.42 114.94 122.63 1n4a s ASN 165 Ca -0.02 2.37 0.17 0.00 0.04 0.00 0.00 52.86 55.41 1n4a s ASN 165 Cb -0.17 -2.54 0.71 0.00 -1.54 0.00 0.00 41.25 37.71 1n4a s ASN 165 CO -0.08 -0.95 1.52 2.30 -3.04 0.00 0.00 177.10 176.86 1n4a n ILE 166 N 5.36 0.95 -1.23 -5.21 -5.35 -0.87 -1.89 119.36 111.13 1n4a n ILE 166 Ca 0.18 0.24 0.03 0.00 -0.27 0.00 0.00 62.75 62.92 1n4a n ILE 166 Cb 0.42 -1.03 0.22 0.00 -1.74 0.00 0.00 39.64 37.51 1n4a n ILE 166 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n4a n PHE 167 N -1.67 0.88 -0.15 4.28 3.01 -1.26 -4.74 117.46 117.81 1n4a n PHE 167 Ca 0.03 -1.25 0.14 0.00 1.01 0.00 0.00 57.45 57.38 1n4a n PHE 167 Cb 0.19 -0.38 0.49 0.00 -0.01 0.00 0.00 39.48 39.76 1n4a n PHE 167 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1n4a h LYS 168 N 1.20 0.44 -0.55 -1.08 3.64 -1.64 -1.83 116.57 116.76 1n4a h LYS 168 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1n4a h LYS 168 Cb 1.49 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1n4a h LYS 168 CO 0.27 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 177.49 1n4a n ASP 169 N -4.48 2.96 -4.71 4.20 8.00 -1.26 -3.58 116.55 117.67 1n4a n ASP 169 Ca 0.13 -2.05 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 1n4a n ASP 169 Cb 0.47 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1n4a n ASP 169 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n4a s SER 170 N -0.96 6.50 0.00 -2.24 0.15 -0.69 -4.87 113.70 111.59 1n4a s SER 170 Ca 0.36 2.71 0.28 0.00 0.70 0.00 0.00 55.95 60.00 1n4a s SER 170 Cb 0.19 -2.59 1.14 0.00 -1.71 0.00 0.00 66.02 63.05 1n4a s SER 170 CO 0.23 -0.90 1.83 0.54 1.20 0.00 0.00 173.24 176.13 1n4a n ARG 171 N 4.36 0.32 -3.72 5.44 1.74 -1.26 -4.65 116.66 118.90 1n4a n ARG 171 Ca 0.15 -0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.77 1n4a n ARG 171 Cb 0.38 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.20 1n4a n ARG 171 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1n4a s VAL 172 N -2.74 4.85 -0.05 1.55 1.01 -1.26 -5.07 120.40 118.70 1n4a s VAL 172 Ca 0.21 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1n4a s VAL 172 Cb 0.19 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1n4a s VAL 172 CO 0.53 0.32 1.35 -2.16 0.00 0.00 0.00 175.10 175.14 1n4a s PRO 173 N 1.44 4.28 -1.00 2.72 0.04 -1.26 -3.74 135.00 137.47 1n4a s PRO 173 Ca 0.06 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 1n4a s PRO 173 Cb -0.15 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1n4a s PRO 173 CO 0.06 -0.59 0.82 0.91 0.04 0.00 0.00 177.00 178.24 1n4a n TRP 174 N 5.69 -2.36 -2.59 0.56 7.02 -1.26 -4.97 117.44 119.52 1n4a n TRP 174 Ca 0.13 0.78 -0.35 0.00 -1.02 0.00 0.00 57.50 57.03 1n4a n TRP 174 Cb 0.44 -3.82 -0.04 0.00 -2.42 0.00 0.00 31.31 25.47 1n4a n TRP 174 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1n4a s PRO 175 N -4.67 4.10 -0.14 -0.99 0.04 -1.17 -4.75 135.00 127.43 1n4a s PRO 175 Ca 0.35 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1n4a s PRO 175 Cb -0.08 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1n4a s PRO 175 CO 0.79 -0.18 0.67 -1.14 0.04 0.00 0.00 177.00 177.19 1n4a s GLN 176 N -2.75 4.32 0.19 4.56 0.74 -1.26 -1.52 119.66 123.94 1n4a s GLN 176 Ca 0.60 0.76 0.09 0.00 0.05 0.00 0.00 55.36 56.87 1n4a s GLN 176 Cb -0.19 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1n4a s GLN 176 CO 0.23 -0.11 -0.19 0.14 -0.55 0.00 0.00 175.29 174.82 1n4a s VAL 177 N 1.43 1.96 0.50 1.34 -7.23 0.59 -4.97 120.40 114.02 1n4a s VAL 177 Ca 0.33 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.53 1n4a s VAL 177 Cb -0.17 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.85 1n4a s VAL 177 CO 0.13 -0.33 0.70 -0.94 -0.31 0.00 0.00 175.10 174.35 1n4a s SER 178 N -2.83 5.38 0.20 4.85 1.04 -1.26 -3.49 113.70 117.59 1n4a s SER 178 Ca 0.19 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 1n4a s SER 178 Cb -0.05 -0.62 0.14 0.00 0.10 0.00 0.00 66.02 65.58 1n4a s SER 178 CO 0.08 -1.03 1.79 0.03 0.98 0.00 0.00 173.24 175.09 1n4a h ARG 179 N 0.30 1.08 -0.43 4.02 3.08 -1.99 -2.94 114.38 117.50 1n4a h ARG 179 Ca -0.40 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.52 1n4a h ARG 179 Cb 1.29 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1n4a h ARG 179 CO 0.47 0.85 0.23 0.93 -1.07 0.00 0.00 179.97 181.38 1n4a h GLU 180 N 1.05 0.45 -0.81 0.04 5.08 -1.99 -0.43 114.58 117.97 1n4a h GLU 180 Ca 0.26 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1n4a h GLU 180 Cb 0.12 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1n4a h GLU 180 CO -0.03 0.29 0.51 1.96 -1.00 0.00 0.00 179.01 180.74 1n4a h GLN 181 N 0.46 0.95 0.09 2.33 4.20 -1.92 -1.24 115.11 119.97 1n4a h GLN 181 Ca 0.18 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1n4a h GLN 181 Cb 0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1n4a h GLN 181 CO -0.11 0.63 -0.04 0.28 -0.67 0.00 0.00 178.83 178.91 1n4a h VAL 182 N 0.98 1.13 -0.93 -0.54 2.07 -1.31 -3.17 116.25 114.47 1n4a h VAL 182 Ca 0.33 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1n4a h VAL 182 Cb 0.05 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1n4a h VAL 182 CO -0.13 0.22 0.60 -0.07 0.02 0.00 0.00 177.57 178.21 1n4a h LEU 183 N -0.54 0.93 -2.26 2.57 3.38 -0.95 -0.84 115.31 117.60 1n4a h LEU 183 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1n4a h LEU 183 Cb 0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n4a h LEU 183 CO 0.02 0.59 -0.05 0.00 0.09 0.00 0.00 178.44 179.09 1n4a h ALA 184 N 1.50 1.27 -0.09 1.53 0.00 -1.24 -2.38 119.26 119.85 1n4a h ALA 184 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1n4a h ALA 184 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n4a h ALA 184 CO -0.16 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1n4a n ARG 185 N -3.54 2.02 -3.89 0.00 1.74 -0.33 -5.01 116.66 107.66 1n4a n ARG 185 Ca -0.02 -1.49 -0.35 0.00 -0.77 0.00 0.00 57.85 55.22 1n4a n ARG 185 Cb 0.16 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1n4a n ARG 185 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n4a n SER 186 N 0.78 -3.57 -4.74 0.55 7.64 -0.90 -4.93 113.62 108.44 1n4a n SER 186 Ca 0.17 -1.11 -0.36 0.00 1.01 0.00 0.00 58.87 58.57 1n4a n SER 186 Cb 0.47 -2.72 0.05 0.00 -1.01 0.00 0.00 64.21 61.00 1n4a n SER 186 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n4a s PRO 187 N -6.60 2.73 -0.00 1.43 0.04 -1.26 -4.92 135.00 126.42 1n4a s PRO 187 Ca 0.36 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.52 1n4a s PRO 187 Cb -0.15 -1.89 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 1n4a s PRO 187 CO 0.91 -1.41 0.87 1.04 0.04 0.00 0.00 177.00 178.44 1n4a n GLN 188 N -1.82 0.12 -3.49 4.56 6.02 0.15 -4.98 117.38 117.95 1n4a n GLN 188 Ca 0.14 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.96 1n4a n GLN 188 Cb 0.49 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 1n4a n GLN 188 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n4a s ALA 189 N -3.09 -1.74 -0.11 -1.58 0.00 -1.07 -4.24 121.76 109.92 1n4a s ALA 189 Ca 0.05 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1n4a s ALA 189 Cb 0.16 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1n4a s ALA 189 CO 0.86 -0.52 -0.22 0.42 0.00 0.00 0.00 175.76 176.31 1n4a s ILE 190 N -2.14 2.26 -0.20 0.00 1.01 -0.42 -1.69 121.20 120.02 1n4a s ILE 190 Ca -0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1n4a s ILE 190 Cb -0.00 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1n4a s ILE 190 CO 0.00 0.55 0.03 -0.69 0.00 0.00 0.00 174.94 174.83 1n4a s VAL 191 N 0.40 4.25 0.30 2.92 1.01 -0.05 0.67 120.40 129.90 1n4a s VAL 191 Ca -0.16 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1n4a s VAL 191 Cb -0.17 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1n4a s VAL 191 CO 0.07 0.43 -0.01 0.27 0.00 0.00 0.00 175.10 175.86 1n4a s ILE 192 N 0.85 1.49 -0.03 2.22 -4.36 0.07 -0.36 121.20 121.08 1n4a s ILE 192 Ca 0.02 -2.07 0.13 0.00 -0.26 0.00 0.00 60.65 58.47 1n4a s ILE 192 Cb -0.14 -2.59 -0.21 0.00 1.25 0.00 0.00 42.46 40.77 1n4a s ILE 192 CO 0.02 -0.19 0.27 0.35 0.24 0.00 0.00 174.94 175.63 1n4a n THR 193 N -0.63 0.11 -0.36 8.37 -2.24 -1.26 0.16 114.28 118.43 1n4a n THR 193 Ca -0.04 -0.34 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1n4a n THR 193 Cb 0.65 0.08 0.25 0.00 -2.10 0.00 0.00 70.33 69.21 1n4a n THR 193 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n4a h GLY 194 N 2.50 1.64 0.00 3.38 0.00 -1.94 -3.23 103.07 105.43 1n4a h GLY 194 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1n4a h GLY 194 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.30 1n4a n GLY 195 N -1.35 0.87 0.28 4.60 0.00 -1.26 -4.60 105.19 103.72 1n4a n GLY 195 Ca 0.19 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 44.01 1n4a n GLY 195 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n4a h PRO 196 N 8.88 0.00 0.00 1.61 0.11 -1.94 0.21 132.00 140.87 1n4a h PRO 196 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1n4a h PRO 196 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1n4a h PRO 196 CO 0.00 0.02 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.29 1n4a h ASP 197 N 0.00 0.00 1.49 -2.05 5.19 -2.01 0.52 116.42 119.56 1n4a h ASP 197 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1n4a h ASP 197 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1n4a h ASP 197 CO 0.00 0.08 -0.33 -0.61 -3.12 0.00 0.00 179.24 175.26 1n4a h GLN 198 N 0.00 0.00 -0.44 3.56 5.75 -1.20 -3.37 115.11 119.41 1n4a h GLN 198 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1n4a h GLN 198 Cb 0.17 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 1n4a h GLN 198 CO 0.01 0.00 -0.01 0.82 -2.65 0.00 0.00 178.83 177.00 1n4a h ILE 199 N 0.00 0.65 -0.90 2.39 2.04 -0.70 -0.47 117.51 120.53 1n4a h ILE 199 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1n4a h ILE 199 Cb 0.91 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1n4a h ILE 199 CO 0.00 0.02 0.57 1.55 0.00 0.00 0.00 178.15 180.29 1n4a h PRO 200 N 0.10 1.19 -0.79 2.37 0.13 -1.72 0.24 132.00 133.53 1n4a h PRO 200 Ca 0.22 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1n4a h PRO 200 Cb 0.32 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1n4a h PRO 200 CO -0.37 0.81 0.30 -0.22 -0.23 0.00 0.00 178.00 178.29 1n4a h LYS 201 N 1.22 1.20 -0.24 0.86 3.64 -1.58 -0.73 116.57 120.93 1n4a h LYS 201 Ca 0.33 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1n4a h LYS 201 Cb -0.11 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1n4a h LYS 201 CO -0.07 0.98 -0.54 0.82 -2.27 0.00 0.00 179.45 178.37 1n4a h ILE 202 N 1.16 1.29 -0.54 2.00 5.03 -0.44 -1.72 117.51 124.29 1n4a h ILE 202 Ca 0.26 -1.74 -0.04 0.00 -0.12 0.00 0.00 64.86 63.23 1n4a h ILE 202 Cb 0.24 1.77 -0.03 0.00 -3.03 0.00 0.00 36.82 35.77 1n4a h ILE 202 CO -0.02 0.56 0.19 0.11 -0.68 0.00 0.00 178.15 178.31 1n4a h LYS 203 N 0.53 0.80 -0.44 2.37 1.57 -0.28 -1.77 116.57 119.34 1n4a h LYS 203 Ca 0.00 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1n4a h LYS 203 Cb 1.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1n4a h LYS 203 CO 0.12 0.67 -0.05 0.37 -0.57 0.00 0.00 179.45 179.99 1n4a h GLN 204 N 0.78 0.81 -0.17 3.15 4.15 -1.05 0.20 115.11 122.97 1n4a h GLN 204 Ca 0.18 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.34 1n4a h GLN 204 Cb 0.19 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1n4a h GLN 204 CO -0.01 0.90 0.06 -0.92 -1.93 0.00 0.00 178.83 176.93 1n4a h TYR 205 N 0.65 0.11 0.00 3.99 3.20 -0.71 -2.91 116.97 121.30 1n4a h TYR 205 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1n4a h TYR 205 Cb 0.56 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1n4a h TYR 205 CO 0.04 0.06 -0.40 -1.49 -1.64 0.00 0.00 178.16 174.73 1n4a h TRP 206 N 0.15 0.00 0.00 -3.82 4.06 -1.27 -3.49 115.95 111.57 1n4a h TRP 206 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1n4a h TRP 206 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1n4a h TRP 206 CO -0.11 0.40 0.00 0.41 -3.56 0.00 0.00 178.44 175.58 1n4a n GLY 207 N 1.08 2.46 0.16 1.49 0.00 0.68 -2.28 105.19 108.79 1n4a n GLY 207 Ca 0.02 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1n4a n GLY 207 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n4a h GLU 208 N 0.00 0.00 0.00 1.61 5.08 -1.92 -3.30 114.58 116.05 1n4a h GLU 208 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1n4a h GLU 208 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n4a h GLU 208 CO 0.00 0.00 -0.03 1.96 -1.00 0.00 0.00 179.01 179.94 1n4a h GLN 209 N 0.00 0.00 -1.85 2.33 1.08 -1.86 -3.41 115.11 111.40 1n4a h GLN 209 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1n4a h GLN 209 Cb 0.69 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.82 1n4a h GLN 209 CO 0.00 0.03 -0.47 -1.17 -0.95 0.00 0.00 178.83 176.27 1n4a s LEU 210 N -6.45 -0.67 -0.79 1.46 2.96 -1.24 -5.05 118.68 108.90 1n4a s LEU 210 Ca -0.02 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1n4a s LEU 210 Cb 0.12 1.16 0.21 0.00 0.50 0.00 0.00 46.19 48.18 1n4a s LEU 210 CO 0.50 -0.30 0.71 0.29 -1.32 0.00 0.00 176.35 176.23 1n4a n LYS 211 N 5.37 2.42 -4.27 1.98 4.76 -1.26 -4.73 118.16 122.42 1n4a n LYS 211 Ca -0.03 -4.53 -0.15 0.00 -2.87 0.00 0.00 58.31 50.73 1n4a n LYS 211 Cb 0.50 -2.34 -0.10 0.00 -1.84 0.00 0.00 35.03 31.25 1n4a n LYS 211 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1n4a s ILE 212 N -1.69 1.18 0.31 -0.18 -4.36 -1.26 -5.12 121.20 110.08 1n4a s ILE 212 Ca 0.29 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1n4a s ILE 212 Cb -0.02 -1.92 -0.12 0.00 1.25 0.00 0.00 42.46 41.65 1n4a s ILE 212 CO -0.11 -0.68 1.52 -0.81 0.24 0.00 0.00 174.94 175.09 1n4a n PRO 213 N -0.24 2.55 -3.78 0.37 -0.04 -1.26 -4.80 135.00 127.79 1n4a n PRO 213 Ca -0.09 0.90 -0.37 0.00 -0.04 0.00 0.00 63.50 63.90 1n4a n PRO 213 Cb 0.61 -2.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.30 1n4a n PRO 213 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n4a s VAL 214 N -0.33 3.97 -0.39 0.52 1.01 -1.26 -1.31 120.40 122.61 1n4a s VAL 214 Ca 0.62 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1n4a s VAL 214 Cb -0.52 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1n4a s VAL 214 CO 0.53 0.22 0.22 -0.63 0.00 0.00 0.00 175.10 175.45 1n4a s ILE 215 N 1.53 4.55 0.17 2.22 1.01 0.21 -4.97 121.20 125.92 1n4a s ILE 215 Ca 0.04 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 1n4a s ILE 215 Cb -0.16 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 1n4a s ILE 215 CO 0.02 -0.30 0.70 -2.16 0.00 0.00 0.00 174.94 173.19 1n4a s PRO 216 N 1.54 4.33 0.19 2.79 0.04 -1.26 -0.75 135.00 141.87 1n4a s PRO 216 Ca 0.02 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.06 1n4a s PRO 216 Cb -0.20 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1n4a s PRO 216 CO 0.06 0.51 -0.18 -0.51 0.04 0.00 0.00 177.00 176.93 1n4a s LEU 217 N -1.50 2.48 -0.05 -3.56 1.43 0.12 -4.91 118.68 112.70 1n4a s LEU 217 Ca 0.37 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1n4a s LEU 217 Cb -0.19 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 1n4a s LEU 217 CO 0.22 -0.05 1.64 -0.89 0.23 0.00 0.00 176.35 177.50 1n4a s THR 218 N -2.31 3.56 0.11 5.49 2.01 -1.26 -4.31 115.64 118.93 1n4a s THR 218 Ca 0.19 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1n4a s THR 218 Cb -0.04 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 1n4a s THR 218 CO 0.08 -0.06 1.71 0.28 -0.69 0.00 0.00 174.62 175.94 1n4a h SER 219 N 9.39 -0.14 -0.53 3.53 0.02 -1.90 -1.71 113.55 122.21 1n4a h SER 219 Ca -0.39 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 60.68 1n4a h SER 219 Cb 1.18 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1n4a h SER 219 CO 0.95 -0.06 0.35 0.44 -1.14 0.00 0.00 176.83 177.38 1n4a h ASP 220 N -0.03 0.33 0.11 3.07 5.19 -1.92 -0.32 116.42 122.86 1n4a h ASP 220 Ca 0.06 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.33 1n4a h ASP 220 Cb 0.11 -0.07 0.02 0.00 0.18 0.00 0.00 39.33 39.57 1n4a h ASP 220 CO -0.12 0.21 -0.64 -0.50 -3.12 0.00 0.00 179.24 175.07 1n4a h TRP 221 N 0.37 0.41 0.05 4.55 6.55 -1.78 -3.35 115.95 122.75 1n4a h TRP 221 Ca 0.24 -0.30 -0.24 0.00 0.95 0.00 0.00 58.89 59.54 1n4a h TRP 221 Cb 0.45 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 1n4a h TRP 221 CO -0.00 1.24 -1.09 0.35 -1.05 0.00 0.00 178.44 177.89 1n4a h PHE 222 N -0.52 0.22 -0.01 0.49 3.57 -1.13 -3.31 116.94 116.26 1n4a h PHE 222 Ca -0.11 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1n4a h PHE 222 Cb 1.49 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1n4a h PHE 222 CO 0.22 1.11 -0.07 0.39 -2.23 0.00 0.00 178.31 177.74 1n4a n GLU 223 N -3.44 1.18 -4.90 1.11 1.02 -0.15 -4.75 120.64 110.70 1n4a n GLU 223 Ca -0.04 -0.53 -0.33 0.00 -0.02 0.00 0.00 57.16 56.24 1n4a n GLU 223 Cb 0.97 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.75 1n4a n GLU 223 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1n4a s ARG 224 N -2.19 3.29 -1.27 3.49 0.52 -1.26 -5.04 118.95 116.49 1n4a s ARG 224 Ca 0.36 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.66 1n4a s ARG 224 Cb 0.21 -2.54 0.10 0.00 0.52 0.00 0.00 34.95 33.24 1n4a s ARG 224 CO 0.40 0.20 1.65 0.00 0.02 0.00 0.00 175.30 177.58 1n4a n ALA 225 N 3.53 3.67 -3.43 2.13 0.00 -1.26 -4.52 120.51 120.63 1n4a n ALA 225 Ca -0.18 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.20 1n4a n ALA 225 Cb 0.53 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.50 1n4a n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n4a s SER 226 N 3.78 -0.11 0.47 0.00 1.04 -1.26 -4.75 113.70 112.87 1n4a s SER 226 Ca 0.51 -0.85 0.33 0.00 0.48 0.00 0.00 55.95 56.42 1n4a s SER 226 Cb 0.02 0.65 1.45 0.00 0.10 0.00 0.00 66.02 68.24 1n4a s SER 226 CO 0.06 -1.24 1.68 -0.65 0.98 0.00 0.00 173.24 174.06 1n4a h PRO 227 N 2.15 0.10 0.00 4.02 0.11 -1.90 -1.79 132.00 134.70 1n4a h PRO 227 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1n4a h PRO 227 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n4a h PRO 227 CO 0.31 0.07 0.00 0.54 -0.21 0.00 0.00 178.00 178.71 1n4a n ARG 228 N -4.44 0.52 0.28 1.05 1.74 -1.26 -2.64 116.66 111.92 1n4a n ARG 228 Ca 0.34 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1n4a n ARG 228 Cb 1.41 -1.50 0.81 0.00 -1.02 0.00 0.00 32.46 32.15 1n4a n ARG 228 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1n4a h ILE 229 N 0.00 0.58 -0.33 0.55 6.09 -1.40 -0.18 117.51 122.82 1n4a h ILE 229 Ca 0.00 -0.28 -0.06 0.00 -1.37 0.00 0.00 64.86 63.15 1n4a h ILE 229 Cb 0.02 1.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.47 1n4a h ILE 229 CO 0.00 0.06 -0.06 -0.29 -3.07 0.00 0.00 178.15 174.79 1n4a h ILE 230 N 0.00 1.22 -0.47 2.19 6.09 -1.76 -0.83 117.51 123.94 1n4a h ILE 230 Ca -0.00 -0.92 -0.13 0.00 -1.37 0.00 0.00 64.86 62.44 1n4a h ILE 230 Cb 0.17 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.48 1n4a h ILE 230 CO 0.01 0.31 -0.20 -0.07 -3.07 0.00 0.00 178.15 175.13 1n4a h LEU 231 N 0.51 0.98 -0.60 2.19 4.07 -1.26 -1.82 115.31 119.37 1n4a h LEU 231 Ca 0.10 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.63 1n4a h LEU 231 Cb 0.42 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1n4a h LEU 231 CO 0.02 1.14 0.10 0.00 -1.08 0.00 0.00 178.44 178.62 1n4a h ALA 232 N 0.93 0.80 -0.63 1.53 0.00 -1.27 -1.95 119.26 118.66 1n4a h ALA 232 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1n4a h ALA 232 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1n4a h ALA 232 CO 0.06 0.55 0.35 0.00 0.00 0.00 0.00 179.25 180.21 1n4a h ALA 233 N 1.02 0.81 -0.51 0.00 0.00 -0.90 0.92 119.26 120.59 1n4a h ALA 233 Ca 0.18 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1n4a h ALA 233 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n4a h ALA 233 CO 0.01 0.32 -0.10 1.96 0.00 0.00 0.00 179.25 181.44 1n4a h GLN 234 N 0.86 0.96 -0.03 0.00 4.20 -1.20 0.16 115.11 120.07 1n4a h GLN 234 Ca 0.22 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1n4a h GLN 234 Cb 0.03 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1n4a h GLN 234 CO -0.04 1.01 0.00 0.37 -0.67 0.00 0.00 178.83 179.50 1n4a h GLN 235 N 0.86 0.04 -0.30 1.46 4.15 -1.05 -1.88 115.11 118.40 1n4a h GLN 235 Ca 0.14 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1n4a h GLN 235 Cb 0.65 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1n4a h GLN 235 CO 0.04 0.28 0.03 1.25 -1.93 0.00 0.00 178.83 178.51 1n4a h LEU 236 N -0.20 0.49 -0.63 -2.39 5.85 -0.80 -1.54 115.31 116.08 1n4a h LEU 236 Ca 0.01 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.53 1n4a h LEU 236 Cb 0.26 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1n4a h LEU 236 CO 0.00 0.65 0.29 0.00 -0.34 0.00 0.00 178.44 179.04 1n4a h ASN 238 N 0.52 0.94 -0.42 0.00 -0.73 -1.28 -2.58 115.58 112.04 1n4a h ASN 238 Ca 0.30 -0.46 -0.11 0.00 1.87 0.00 0.00 56.30 57.91 1n4a h ASN 238 Cb 0.30 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1n4a h ASN 238 CO -0.25 1.20 -0.16 0.00 -0.37 0.00 0.00 177.43 177.85 1n4a h ALA 239 N 0.77 0.58 0.00 1.57 0.00 -0.69 -3.12 119.26 118.36 1n4a h ALA 239 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1n4a h ALA 239 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1n4a h ALA 239 CO 0.09 0.51 -0.28 1.25 0.00 0.00 0.00 179.25 180.82 1n4a h LEU 240 N 0.67 0.00 -0.89 0.00 5.85 -0.28 -2.69 115.31 117.97 1n4a h LEU 240 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1n4a h LEU 240 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1n4a h LEU 240 CO 0.05 0.28 0.00 0.77 -0.34 0.00 0.00 178.44 179.20 1n4a h SER 241 N 0.00 0.00 0.92 1.25 4.64 -1.39 -2.68 113.55 116.29 1n4a h SER 241 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1n4a h SER 241 Cb 0.83 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1n4a h SER 241 CO 0.04 0.00 -1.16 1.56 -0.87 0.00 0.00 176.83 176.40 1n4a h GLN 242 N 0.00 0.00 -6.68 4.77 1.08 -1.54 -3.47 115.11 109.27 1n4a h GLN 242 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1n4a h GLN 242 Cb 0.41 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1n4a h GLN 242 CO 0.00 0.53 0.88 0.08 -0.95 0.00 0.00 178.83 179.37 1n4a s VAL 243 N -2.82 2.40 0.00 -0.54 1.01 -1.01 -5.16 120.40 114.27 1n4a s VAL 243 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1n4a s VAL 243 Cb 0.09 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1n4a s VAL 243 CO 0.80 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 175.26