#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3k h ALA 2 N 0.00 0.91 -0.80 3.04 0.00 -2.00 -2.37 119.26 118.04 1n3k h ALA 2 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1n3k h ALA 2 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1n3k h ALA 2 CO 0.00 0.62 0.45 0.93 0.00 0.00 0.00 179.25 181.25 1n3k h GLU 3 N 0.48 1.12 -0.79 0.00 3.07 -1.98 -1.26 114.58 115.23 1n3k h GLU 3 Ca 0.05 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1n3k h GLU 3 Cb 0.82 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.48 1n3k h GLU 3 CO 0.07 0.82 0.44 -0.92 -1.40 0.00 0.00 179.01 178.01 1n3k h TYR 4 N 1.11 1.07 -0.77 4.33 3.20 -1.79 0.87 116.97 125.00 1n3k h TYR 4 Ca 0.28 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1n3k h TYR 4 Cb 0.02 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 37.90 1n3k h TYR 4 CO 0.00 0.75 0.49 0.78 -1.64 0.00 0.00 178.16 178.54 1n3k h GLY 5 N 1.09 1.11 1.34 1.82 0.00 -0.83 -1.52 103.07 106.08 1n3k h GLY 5 Ca 0.28 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1n3k h GLY 5 CO -0.05 0.33 -0.43 -0.84 0.00 0.00 0.00 176.54 175.56 1n3k h THR 6 N 0.98 1.29 0.06 4.70 2.02 -0.54 -2.07 112.91 119.34 1n3k h THR 6 Ca 0.30 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.89 1n3k h THR 6 Cb -0.02 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1n3k h THR 6 CO -0.10 0.52 -0.39 0.25 0.37 0.00 0.00 175.52 176.17 1n3k h LEU 7 N 0.58 -1.16 -0.94 2.58 5.85 0.17 1.32 115.31 123.72 1n3k h LEU 7 Ca 0.04 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1n3k h LEU 7 Cb 0.98 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 1n3k h LEU 7 CO 0.09 -0.45 0.60 -0.07 -0.34 0.00 0.00 178.44 178.27 1n3k h LEU 8 N -0.58 0.98 -0.80 2.25 4.07 -1.32 -1.00 115.31 118.91 1n3k h LEU 8 Ca 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 1n3k h LEU 8 Cb 0.64 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 1n3k h LEU 8 CO -0.27 0.65 0.34 -0.61 -1.08 0.00 0.00 178.44 177.47 1n3k h GLN 9 N 1.13 1.18 0.11 1.13 5.75 -0.41 0.32 115.11 124.32 1n3k h GLN 9 Ca 0.39 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1n3k h GLN 9 Cb 0.10 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.45 1n3k h GLN 9 CO -0.15 0.94 -0.05 -0.44 -2.65 0.00 0.00 178.83 176.48 1n3k h ASP 10 N 1.15 -0.13 0.05 -0.69 3.32 0.30 0.99 116.42 121.41 1n3k h ASP 10 Ca 0.27 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1n3k h ASP 10 Cb 0.18 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1n3k h ASP 10 CO -0.03 -0.01 -0.25 0.17 -1.72 0.00 0.00 179.24 177.40 1n3k h LEU 11 N -0.23 0.32 -1.21 1.55 8.10 -1.23 -0.29 115.31 122.33 1n3k h LEU 11 Ca -0.02 -0.10 -0.00 0.00 0.11 0.00 0.00 57.88 57.87 1n3k h LEU 11 Cb 0.18 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.28 1n3k h LEU 11 CO 0.02 0.58 0.44 0.74 -4.11 0.00 0.00 178.44 176.11 1n3k h THR 12 N 0.29 1.20 -0.16 0.15 2.02 0.32 1.37 112.91 118.10 1n3k h THR 12 Ca 0.05 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1n3k h THR 12 Cb 0.60 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1n3k h THR 12 CO 0.04 0.21 -0.15 0.78 0.37 0.00 0.00 175.52 176.77 1n3k h ASN 13 N 0.99 0.24 -0.17 4.18 2.35 0.26 -0.34 115.58 123.10 1n3k h ASN 13 Ca 0.26 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1n3k h ASN 13 Cb -0.04 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1n3k h ASN 13 CO -0.05 0.42 0.00 0.59 -1.65 0.00 0.00 177.43 176.74 1n3k n ASN 14 N -4.24 2.19 -4.57 5.81 5.03 0.86 -4.86 115.26 115.48 1n3k n ASN 14 Ca -0.01 -1.77 -0.40 0.00 0.87 0.00 0.00 54.58 53.27 1n3k n ASN 14 Cb 0.29 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 38.85 1n3k n ASN 14 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n3k s ILE 15 N -1.79 5.17 0.41 2.41 -1.16 0.43 -4.96 121.20 121.72 1n3k s ILE 15 Ca 0.34 0.25 -0.05 0.00 -0.51 0.00 0.00 60.65 60.68 1n3k s ILE 15 Cb 0.20 -3.77 -0.04 0.00 0.61 0.00 0.00 42.46 39.45 1n3k s ILE 15 CO 0.29 0.00 0.71 0.42 -2.81 0.00 0.00 174.94 173.55 1n3k s THR 16 N 2.05 4.94 0.33 4.00 -4.23 -1.26 -4.80 115.64 116.67 1n3k s THR 16 Ca 0.13 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1n3k s THR 16 Cb -0.16 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.09 1n3k s THR 16 CO 0.11 -0.66 1.96 0.25 -0.54 0.00 0.00 174.62 175.74 1n3k h LEU 17 N 0.72 0.73 -0.33 4.79 5.85 -1.98 0.15 115.31 125.24 1n3k h LEU 17 Ca -0.48 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1n3k h LEU 17 Cb 1.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1n3k h LEU 17 CO 0.63 0.59 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.95 1n3k h GLU 18 N 0.84 0.61 -0.85 1.25 3.07 -1.95 -2.58 114.58 114.97 1n3k h GLU 18 Ca 0.22 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1n3k h GLU 18 Cb 0.01 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1n3k h GLU 18 CO -0.04 0.75 0.50 -0.44 -1.40 0.00 0.00 179.01 178.39 1n3k h ASP 19 N 0.40 1.03 -0.89 1.42 5.19 -1.68 -2.31 116.42 119.59 1n3k h ASP 19 Ca 0.09 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1n3k h ASP 19 Cb 0.50 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1n3k h ASP 19 CO 0.02 0.81 0.59 0.25 -3.12 0.00 0.00 179.24 177.79 1n3k h LEU 20 N 1.17 1.00 -1.74 1.55 5.85 -0.55 -0.62 115.31 121.98 1n3k h LEU 20 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1n3k h LEU 20 Cb -0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1n3k h LEU 20 CO -0.05 0.72 0.17 -0.33 -0.34 0.00 0.00 178.44 178.60 1n3k h GLU 21 N 1.18 0.34 -0.09 1.25 5.08 -1.02 1.44 114.58 122.76 1n3k h GLU 21 Ca 0.33 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1n3k h GLU 21 Cb -0.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1n3k h GLU 21 CO -0.08 0.23 -0.31 0.37 -1.00 0.00 0.00 179.01 178.22 1n3k h GLN 22 N 0.35 0.36 -0.20 2.33 4.15 -1.02 0.83 115.11 121.91 1n3k h GLN 22 Ca 0.09 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1n3k h GLN 22 Cb -0.03 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1n3k h GLN 22 CO -0.02 0.90 0.12 -0.07 -1.93 0.00 0.00 178.83 177.83 1n3k h LEU 23 N -0.10 0.21 -0.88 -2.39 3.38 -0.32 0.12 115.31 115.33 1n3k h LEU 23 Ca -0.01 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1n3k h LEU 23 Cb 0.94 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1n3k h LEU 23 CO 0.06 0.15 0.56 0.11 0.09 0.00 0.00 178.44 179.41 1n3k h LYS 24 N 0.26 1.00 -0.64 1.13 1.57 0.20 1.19 116.57 121.28 1n3k h LYS 24 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1n3k h LYS 24 Cb -0.02 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1n3k h LYS 24 CO -0.03 0.66 0.30 0.77 -0.57 0.00 0.00 179.45 180.58 1n3k h SER 25 N 1.03 0.84 0.23 0.86 0.02 0.16 0.31 113.55 116.99 1n3k h SER 25 Ca 0.38 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 1n3k h SER 25 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1n3k h SER 25 CO -0.16 0.74 -0.53 0.00 -1.14 0.00 0.00 176.83 175.74 1n3k h ALA 26 N 1.13 0.89 0.00 3.77 0.00 0.33 -2.27 119.26 123.11 1n3k h ALA 26 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n3k h ALA 26 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n3k h ALA 26 CO -0.03 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1n3k h LYS 28 N 0.00 0.41 -0.02 0.00 1.79 0.20 1.77 116.57 120.72 1n3k h LYS 28 Ca 0.00 -0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.21 1n3k h LYS 28 Cb 0.03 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1n3k h LYS 28 CO 0.00 0.27 -0.95 0.93 -1.08 0.00 0.00 179.45 178.62 1n3k h GLU 29 N 0.42 0.53 0.05 3.15 5.08 -1.80 -3.39 114.58 118.62 1n3k h GLU 29 Ca 0.49 -0.55 -0.33 0.00 -1.00 0.00 0.00 59.36 57.98 1n3k h GLU 29 Cb 1.20 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 1n3k h GLU 29 CO -0.20 1.18 -1.81 -0.25 -1.00 0.00 0.00 179.01 176.93 1n3k n ASP 30 N -3.80 1.98 -4.53 1.42 8.00 0.47 -4.93 116.55 115.16 1n3k n ASP 30 Ca -0.08 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 1n3k n ASP 30 Cb 0.83 -0.86 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 1n3k n ASP 30 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1n3k s ILE 31 N -2.47 4.15 0.47 0.53 -1.16 0.57 -5.09 121.20 118.20 1n3k s ILE 31 Ca -0.28 -0.26 -0.25 0.00 -0.51 0.00 0.00 60.65 59.35 1n3k s ILE 31 Cb 0.08 -2.84 -0.08 0.00 0.61 0.00 0.00 42.46 40.23 1n3k s ILE 31 CO 0.65 0.48 1.41 -2.65 -2.81 0.00 0.00 174.94 172.02 1n3k n PRO 32 N 3.56 2.13 0.06 3.50 -0.02 -1.26 -4.25 135.00 138.72 1n3k n PRO 32 Ca -0.17 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1n3k n PRO 32 Cb 0.52 -2.60 0.36 0.00 -0.02 0.00 0.00 33.50 31.76 1n3k n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n3k h SER 33 N 2.12 0.36 -0.01 2.55 0.87 -1.93 -1.21 113.55 116.30 1n3k h SER 33 Ca -0.51 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1n3k h SER 33 Cb 1.28 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1n3k h SER 33 CO 0.60 0.44 0.01 -0.08 -0.53 0.00 0.00 176.83 177.27 1n3k h GLU 34 N 0.37 0.00 0.00 2.24 4.81 -2.01 -1.21 114.58 118.78 1n3k h GLU 34 Ca 0.08 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.02 1n3k h GLU 34 Cb 0.30 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1n3k h GLU 34 CO 0.01 0.00 -2.12 1.63 -0.73 0.00 0.00 179.01 177.80 1n3k n LYS 35 N -3.69 0.67 0.04 1.92 4.76 -0.68 -4.23 118.16 116.94 1n3k n LYS 35 Ca -0.03 0.04 0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1n3k n LYS 35 Cb 0.09 -1.60 0.52 0.00 -1.84 0.00 0.00 35.03 32.21 1n3k n LYS 35 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n3k h SER 36 N 0.00 0.29 -0.54 4.39 0.87 -0.09 -1.65 113.55 116.81 1n3k h SER 36 Ca -0.39 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1n3k h SER 36 Cb 1.98 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.84 1n3k h SER 36 CO 0.04 0.19 0.36 -0.33 -0.53 0.00 0.00 176.83 176.55 1n3k h GLU 37 N 0.33 0.64 -0.02 2.24 5.08 -1.62 -1.17 114.58 120.05 1n3k h GLU 37 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1n3k h GLU 37 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1n3k h GLU 37 CO -0.04 0.42 -0.05 -0.85 -1.00 0.00 0.00 179.01 177.49 1n3k n GLU 38 N -4.47 1.69 -2.84 2.33 0.28 -0.64 -4.66 120.64 112.34 1n3k n GLU 38 Ca 0.06 -1.13 -0.44 0.00 -0.16 0.00 0.00 57.16 55.50 1n3k n GLU 38 Cb 0.11 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1n3k n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1n3k n ILE 39 N 0.33 4.18 0.82 3.84 5.41 -0.44 -4.64 119.36 128.86 1n3k n ILE 39 Ca 0.17 -4.56 0.12 0.00 1.00 0.00 0.00 62.75 59.47 1n3k n ILE 39 Cb 0.41 -2.44 0.14 0.00 -0.71 0.00 0.00 39.64 37.05 1n3k n ILE 39 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1n3k n THR 40 N 4.99 0.14 -3.66 1.39 5.66 -1.26 -4.85 114.28 116.68 1n3k n THR 40 Ca 0.40 -0.56 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 1n3k n THR 40 Cb 0.43 1.34 -0.07 0.00 -1.55 0.00 0.00 70.33 70.48 1n3k n THR 40 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1n3k s THR 41 N -1.86 0.05 0.46 1.09 -1.32 -1.26 -4.66 115.64 108.14 1n3k s THR 41 Ca 0.31 -0.41 0.14 0.00 -1.21 0.00 0.00 61.69 60.51 1n3k s THR 41 Cb 0.21 -0.90 0.22 0.00 -1.51 0.00 0.00 72.50 70.52 1n3k s THR 41 CO 0.31 -0.23 2.05 1.23 -2.21 0.00 0.00 174.62 175.77 1n3k h GLY 42 N 3.13 0.09 0.97 6.08 0.00 -1.87 0.18 103.07 111.66 1n3k h GLY 42 Ca -0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1n3k h GLY 42 CO 0.42 0.04 0.10 1.76 0.00 0.00 0.00 176.54 178.87 1n3k h SER 43 N 0.09 0.74 -0.44 0.19 0.02 -1.92 0.94 113.55 113.17 1n3k h SER 43 Ca 0.02 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1n3k h SER 43 Cb 0.16 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1n3k h SER 43 CO 0.01 0.80 0.13 0.00 -1.14 0.00 0.00 176.83 176.62 1n3k h ALA 44 N 0.97 1.29 0.08 3.77 0.00 -1.26 0.35 119.26 124.47 1n3k h ALA 44 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n3k h ALA 44 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n3k h ALA 44 CO 0.01 0.50 -0.04 2.35 0.00 0.00 0.00 179.25 182.07 1n3k h TRP 45 N 0.73 -0.11 -0.79 0.00 7.01 -0.31 -2.14 115.95 120.35 1n3k h TRP 45 Ca 0.17 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.25 1n3k h TRP 45 Cb 0.26 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 1n3k h TRP 45 CO 0.01 0.33 0.52 0.74 -2.79 0.00 0.00 178.44 177.25 1n3k h PHE 46 N -0.96 0.81 -0.43 2.65 0.04 0.93 1.11 116.94 121.08 1n3k h PHE 46 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1n3k h PHE 46 Cb 0.48 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1n3k h PHE 46 CO 0.10 0.39 0.10 0.77 -0.60 0.00 0.00 178.31 179.08 1n3k h SER 47 N 0.77 0.66 -0.30 2.17 0.02 -0.35 1.40 113.55 117.93 1n3k h SER 47 Ca 0.36 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1n3k h SER 47 Cb 0.37 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1n3k h SER 47 CO -0.13 0.73 0.07 0.15 -1.14 0.00 0.00 176.83 176.50 1n3k h PHE 48 N 0.57 0.50 -0.47 3.45 3.04 -0.40 0.85 116.94 124.47 1n3k h PHE 48 Ca 0.14 -0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.08 1n3k h PHE 48 Cb 0.33 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1n3k h PHE 48 CO 0.02 0.54 0.19 -0.07 -2.02 0.00 0.00 178.31 176.97 1n3k h LEU 49 N 0.31 0.23 -0.56 0.59 4.07 0.16 0.13 115.31 120.26 1n3k h LEU 49 Ca 0.09 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.03 1n3k h LEU 49 Cb 0.29 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1n3k h LEU 49 CO 0.00 0.17 0.07 -0.33 -1.08 0.00 0.00 178.44 177.27 1n3k h GLU 50 N 0.39 0.93 -0.11 1.13 5.08 0.22 -2.19 114.58 120.03 1n3k h GLU 50 Ca 0.22 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1n3k h GLU 50 Cb 0.19 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n3k h GLU 50 CO -0.20 0.90 0.08 0.77 -1.00 0.00 0.00 179.01 179.56 1n3k h SER 51 N 0.82 0.00 -4.96 1.42 0.02 0.19 -3.43 113.55 107.61 1n3k h SER 51 Ca 0.17 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.84 1n3k h SER 51 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1n3k h SER 51 CO 0.01 0.00 -0.10 1.41 -1.14 0.00 0.00 176.83 177.02 1n3k n HIS 52 N -4.43 -1.70 -0.83 3.45 8.25 0.36 -5.01 115.22 115.31 1n3k n HIS 52 Ca -0.00 -1.15 -0.20 0.00 -0.26 0.00 0.00 57.72 56.10 1n3k n HIS 52 Cb 0.20 -0.25 0.08 0.00 1.12 0.00 0.00 29.99 31.13 1n3k n HIS 52 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1n3k n ASN 53 N -2.22 5.62 -0.01 0.41 3.02 -1.26 -4.13 115.26 116.69 1n3k n ASN 53 Ca 0.03 -3.23 0.10 0.00 -0.03 0.00 0.00 54.58 51.45 1n3k n ASN 53 Cb 0.32 -0.91 -0.14 0.00 -0.61 0.00 0.00 39.78 38.43 1n3k n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n3k n LYS 54 N -0.29 0.54 -3.27 3.52 4.76 -1.16 -4.91 118.16 117.34 1n3k n LYS 54 Ca 0.41 -0.11 -0.05 0.00 -2.87 0.00 0.00 58.31 55.70 1n3k n LYS 54 Cb 0.86 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.53 1n3k n LYS 54 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1n3k s LEU 55 N -3.81 -0.94 0.00 -0.35 0.20 -1.08 -4.74 118.68 107.96 1n3k s LEU 55 Ca -0.01 0.32 -0.01 0.00 0.69 0.00 0.00 54.13 55.12 1n3k s LEU 55 Cb 0.14 1.47 0.02 0.00 -0.43 0.00 0.00 46.19 47.39 1n3k s LEU 55 CO 0.84 -0.30 0.12 0.47 -0.29 0.00 0.00 176.35 177.19 1n3k n ASP 56 N 5.39 0.07 0.23 3.68 8.00 -1.21 -4.12 116.55 128.58 1n3k n ASP 56 Ca -0.02 -1.08 0.12 0.00 0.71 0.00 0.00 54.79 54.53 1n3k n ASP 56 Cb 0.50 -0.08 0.33 0.00 -0.02 0.00 0.00 41.12 41.85 1n3k n ASP 56 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1n3k h LYS 57 N 0.00 0.00 0.00 -1.24 5.09 -2.01 -3.31 116.57 115.11 1n3k h LYS 57 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1n3k h LYS 57 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 1n3k h LYS 57 CO 0.03 0.08 0.00 -3.47 -2.09 0.00 0.00 179.45 174.00 1n3k n ASP 58 N -3.14 0.02 -4.42 7.07 2.03 -1.26 -4.77 116.55 112.08 1n3k n ASP 58 Ca 0.02 -0.42 -0.44 0.00 0.52 0.00 0.00 54.79 54.47 1n3k n ASP 58 Cb 0.48 0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 41.65 1n3k n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1n3k s ASN 59 N -0.80 6.49 0.00 1.67 0.01 -1.25 -4.75 114.94 116.32 1n3k s ASN 59 Ca 0.00 -1.84 0.07 0.00 -0.71 0.00 0.00 52.86 50.38 1n3k s ASN 59 Cb 0.00 -2.36 0.19 0.00 0.41 0.00 0.00 41.25 39.48 1n3k s ASN 59 CO 0.00 -1.08 1.15 0.00 -1.51 0.00 0.00 177.10 175.66 1n3k n LEU 60 N 6.41 2.55 -0.37 0.60 -0.00 -1.26 -3.29 117.00 121.63 1n3k n LEU 60 Ca 0.13 -1.97 0.02 0.00 -0.00 0.00 0.00 56.01 54.19 1n3k n LEU 60 Cb 0.47 -0.14 0.17 0.00 -0.00 0.00 0.00 43.42 43.92 1n3k n LEU 60 CO 0.52 0.63 1.27 0.77 -0.00 0.00 0.00 177.39 180.59 1n3k h SER 61 N 1.27 1.06 -0.14 1.45 4.64 -1.92 0.81 113.55 120.71 1n3k h SER 61 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1n3k h SER 61 Cb 0.63 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1n3k h SER 61 CO 0.00 0.68 -0.37 0.22 -0.87 0.00 0.00 176.83 176.49 1n3k h TYR 62 N 1.20 0.65 -0.14 4.77 3.20 -1.85 -2.56 116.97 122.24 1n3k h TYR 62 Ca 0.43 -0.25 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1n3k h TYR 62 Cb 0.13 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1n3k h TYR 62 CO -0.00 0.99 -0.19 -0.84 -1.64 0.00 0.00 178.16 176.48 1n3k h ILE 63 N 0.13 1.36 -0.64 1.81 3.07 -1.77 -2.38 117.51 119.09 1n3k h ILE 63 Ca -0.01 -1.41 0.18 0.00 1.55 0.00 0.00 64.86 65.17 1n3k h ILE 63 Cb 0.98 1.95 -0.03 0.00 -0.27 0.00 0.00 36.82 39.46 1n3k h ILE 63 CO 0.08 0.41 0.45 -0.08 -1.05 0.00 0.00 178.15 177.97 1n3k h GLU 64 N -0.02 0.05 -0.27 0.16 4.81 0.57 0.37 114.58 120.25 1n3k h GLU 64 Ca 0.02 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1n3k h GLU 64 Cb 0.75 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1n3k h GLU 64 CO 0.04 0.03 -0.26 1.25 -0.73 0.00 0.00 179.01 179.35 1n3k h HIS 65 N 0.05 0.78 -0.03 0.92 2.76 -1.10 0.63 115.15 119.16 1n3k h HIS 65 Ca 0.30 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1n3k h HIS 65 Cb 1.14 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1n3k h HIS 65 CO -0.00 0.96 -0.09 0.82 -1.30 0.00 0.00 177.93 178.32 1n3k h ILE 66 N 0.37 0.77 -0.20 6.26 1.08 0.16 0.94 117.51 126.89 1n3k h ILE 66 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1n3k h ILE 66 Cb 0.82 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1n3k h ILE 66 CO 0.06 0.00 -0.03 -0.26 -0.69 0.00 0.00 178.15 177.24 1n3k h PHE 67 N -0.13 0.30 0.19 1.37 0.04 -1.13 0.46 116.94 118.04 1n3k h PHE 67 Ca 0.04 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1n3k h PHE 67 Cb 0.19 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1n3k h PHE 67 CO -0.17 0.34 -0.09 1.49 -0.60 0.00 0.00 178.31 179.28 1n3k h GLU 68 N 0.29 -0.25 -0.01 1.51 4.81 0.88 -3.14 114.58 118.67 1n3k h GLU 68 Ca 0.07 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1n3k h GLU 68 Cb 0.24 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1n3k h GLU 68 CO 0.01 0.14 -0.25 -0.84 -0.73 0.00 0.00 179.01 177.34 1n3k h ILE 69 N -0.75 1.18 -3.73 2.32 3.07 1.00 -3.42 117.51 117.18 1n3k h ILE 69 Ca -0.03 -0.87 -0.50 0.00 1.55 0.00 0.00 64.86 65.02 1n3k h ILE 69 Cb 0.51 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.51 1n3k h ILE 69 CO 0.04 0.25 0.40 -0.55 -1.05 0.00 0.00 178.15 177.24 1n3k s SER 70 N -6.97 7.50 -1.46 2.16 0.15 0.16 -4.92 113.70 110.31 1n3k s SER 70 Ca -0.04 2.04 -0.09 0.00 0.70 0.00 0.00 55.95 58.56 1n3k s SER 70 Cb 0.15 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.76 1n3k s SER 70 CO 0.71 0.02 2.88 0.54 1.20 0.00 0.00 173.24 178.59 1n3k n ARG 71 N 1.60 3.40 -3.21 5.44 5.12 -1.26 -4.55 116.66 123.21 1n3k n ARG 71 Ca -0.01 -2.04 -0.22 0.00 -1.93 0.00 0.00 57.85 53.65 1n3k n ARG 71 Cb 0.46 -2.71 -0.07 0.00 -1.16 0.00 0.00 32.46 28.98 1n3k n ARG 71 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1n3k n ARG 72 N 3.61 0.39 0.11 5.56 3.00 -1.26 -4.97 116.66 123.11 1n3k n ARG 72 Ca 0.73 -2.92 0.09 0.00 -0.00 0.00 0.00 57.85 55.74 1n3k n ARG 72 Cb 0.25 -1.53 0.44 0.00 0.00 0.00 0.00 32.46 31.62 1n3k n ARG 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1n3k n PRO 73 N 2.47 0.11 -0.12 -0.14 -0.02 -1.26 -2.59 135.00 133.46 1n3k n PRO 73 Ca 0.25 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1n3k n PRO 73 Cb 0.51 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1n3k n PRO 73 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n3k h ASP 74 N 0.00 0.58 -0.08 2.55 3.32 -1.94 0.50 116.42 121.35 1n3k h ASP 74 Ca 0.00 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 1n3k h ASP 74 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1n3k h ASP 74 CO 0.00 0.72 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.87 1n3k h LEU 75 N 0.43 0.40 -0.47 1.55 4.07 -1.87 -2.81 115.31 116.60 1n3k h LEU 75 Ca 0.10 -0.63 0.05 0.00 0.08 0.00 0.00 57.88 57.49 1n3k h LEU 75 Cb 0.40 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 1n3k h LEU 75 CO 0.01 0.96 0.19 0.25 -1.08 0.00 0.00 178.44 178.77 1n3k h LEU 76 N -0.14 0.23 -0.87 1.67 5.85 -1.49 -1.46 115.31 119.10 1n3k h LEU 76 Ca -0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1n3k h LEU 76 Cb 0.93 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 1n3k h LEU 76 CO 0.06 0.17 0.52 0.74 -0.34 0.00 0.00 178.44 179.59 1n3k h THR 77 N 0.38 0.96 -0.58 1.05 2.02 -0.03 1.11 112.91 117.82 1n3k h THR 77 Ca 0.22 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1n3k h THR 77 Cb 0.19 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1n3k h THR 77 CO -0.20 0.16 0.09 0.24 0.37 0.00 0.00 175.52 176.18 1n3k h MET 78 N 0.90 0.95 -0.16 6.66 2.86 -1.05 1.31 114.93 126.40 1n3k h MET 78 Ca 0.41 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1n3k h MET 78 Cb 0.31 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1n3k h MET 78 CO -0.22 0.88 -0.18 0.28 1.06 0.00 0.00 176.91 178.72 1n3k h VAL 79 N 0.89 1.35 -0.02 -2.22 2.07 -0.12 0.52 116.25 118.72 1n3k h VAL 79 Ca 0.18 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1n3k h VAL 79 Cb 0.40 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1n3k h VAL 79 CO 0.01 0.41 0.01 0.58 0.02 0.00 0.00 177.57 178.59 1n3k h VAL 80 N 0.03 1.18 -0.88 2.57 2.07 0.15 -0.88 116.25 120.49 1n3k h VAL 80 Ca 0.02 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1n3k h VAL 80 Cb 0.73 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1n3k h VAL 80 CO 0.04 0.14 0.51 0.44 0.02 0.00 0.00 177.57 178.73 1n3k h ASP 81 N -0.18 1.09 -0.65 0.57 3.32 0.17 -2.28 116.42 118.46 1n3k h ASP 81 Ca 0.01 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1n3k h ASP 81 Cb 0.23 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1n3k h ASP 81 CO 0.00 0.85 0.28 0.22 -1.72 0.00 0.00 179.24 178.87 1n3k h TYR 82 N 1.23 0.97 -0.59 4.55 5.03 -0.75 0.56 116.97 127.97 1n3k h TYR 82 Ca 0.31 -0.06 0.12 0.00 2.58 0.00 0.00 58.73 61.68 1n3k h TYR 82 Cb -0.01 -0.29 -0.10 0.00 1.55 0.00 0.00 36.73 37.88 1n3k h TYR 82 CO 0.01 0.75 -0.00 -0.09 -1.32 0.00 0.00 178.16 177.50 1n3k h ARG 83 N 0.90 0.11 0.15 1.82 1.12 -0.56 0.39 114.38 118.31 1n3k h ARG 83 Ca 0.22 -0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 58.81 1n3k h ARG 83 Cb 0.18 -0.03 0.03 0.00 -0.01 0.00 0.00 29.97 30.14 1n3k h ARG 83 CO -0.02 0.07 -1.15 1.15 -3.11 0.00 0.00 179.97 176.91 1n3k h THR 84 N 0.11 1.35 -0.28 0.20 2.02 -1.32 -2.26 112.91 112.73 1n3k h THR 84 Ca 0.31 -2.49 -0.02 0.00 0.77 0.00 0.00 66.41 64.97 1n3k h THR 84 Cb 0.49 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1n3k h THR 84 CO -0.51 0.74 0.10 0.08 0.37 0.00 0.00 175.52 176.31 1n3k h ARG 85 N 0.07 0.42 -0.01 6.66 -0.00 0.87 0.87 114.38 123.26 1n3k h ARG 85 Ca -0.19 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.98 59.55 1n3k h ARG 85 Cb 1.86 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.75 1n3k h ARG 85 CO 0.22 0.46 -0.74 0.28 -0.00 0.00 0.00 179.97 180.18 1n3k h VAL 86 N 0.30 1.50 -0.30 0.08 2.07 -0.39 -2.63 116.25 116.89 1n3k h VAL 86 Ca 0.09 -2.46 -0.09 0.00 0.82 0.00 0.00 66.70 65.06 1n3k h VAL 86 Cb 0.20 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1n3k h VAL 86 CO -0.01 0.71 -0.21 0.25 0.02 0.00 0.00 177.57 178.33 1n3k h LEU 87 N 0.05 0.55 -1.33 2.57 5.85 -1.04 0.97 115.31 122.93 1n3k h LEU 87 Ca -0.01 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1n3k h LEU 87 Cb 1.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1n3k h LEU 87 CO 0.10 0.77 -0.28 0.50 -0.34 0.00 0.00 178.44 179.20 1n3k h LYS 88 N 0.49 0.00 0.00 1.25 1.63 0.10 -2.71 116.57 117.33 1n3k h LYS 88 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1n3k h LYS 88 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1n3k h LYS 88 CO 0.05 0.28 -0.18 0.82 -3.45 0.00 0.00 179.45 176.96 1n3k h ILE 89 N 0.00 0.00 -0.48 2.00 2.04 -0.97 -3.37 117.51 116.73 1n3k h ILE 89 Ca -0.00 -0.91 -0.72 0.00 1.00 0.00 0.00 64.86 64.23 1n3k h ILE 89 Cb 0.65 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1n3k h ILE 89 CO 0.04 0.00 2.94 -1.20 0.00 0.00 0.00 178.15 179.93 1n3k n SER 90 N -4.47 5.83 -4.01 1.72 7.64 0.33 -4.85 113.62 115.79 1n3k n SER 90 Ca -0.02 -2.88 -0.38 0.00 1.01 0.00 0.00 58.87 56.60 1n3k n SER 90 Cb 0.09 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.68 1n3k n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n3k n GLU 91 N 4.41 1.59 -2.81 1.43 1.02 -1.03 -4.66 120.64 120.59 1n3k n GLU 91 Ca 0.57 -2.12 -0.40 0.00 -0.02 0.00 0.00 57.16 55.18 1n3k n GLU 91 Cb 0.33 -3.24 -0.06 0.00 -0.02 0.00 0.00 31.44 28.45 1n3k n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1n3k s GLU 92 N 5.53 4.76 0.05 3.49 2.02 -1.26 -4.97 118.70 128.33 1n3k s GLU 92 Ca 0.61 1.39 0.19 0.00 0.02 0.00 0.00 54.97 57.18 1n3k s GLU 92 Cb 0.08 -3.29 -0.14 0.00 0.10 0.00 0.00 34.13 30.88 1n3k s GLU 92 CO 0.12 0.50 0.75 -0.25 0.02 0.00 0.00 175.26 176.41 1n3k n ASP 93 N 1.66 0.67 -1.86 -0.19 8.00 -1.26 -4.05 116.55 119.53 1n3k n ASP 93 Ca -0.03 0.29 0.04 0.00 0.71 0.00 0.00 54.79 55.80 1n3k n ASP 93 Cb 0.48 0.53 0.36 0.00 -0.02 0.00 0.00 41.12 42.47 1n3k n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3k n GLU 94 N -2.75 4.45 -0.07 -1.24 1.02 -1.26 -4.43 120.64 116.36 1n3k n GLU 94 Ca -0.09 -2.97 -0.11 0.00 -0.02 0.00 0.00 57.16 53.97 1n3k n GLU 94 Cb 0.78 -2.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1n3k n GLU 94 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1n3k h LEU 95 N 3.50 0.85 -0.06 -4.62 5.85 -1.99 -3.01 115.31 115.82 1n3k h LEU 95 Ca 0.06 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1n3k h LEU 95 Cb 1.99 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1n3k h LEU 95 CO 0.53 1.16 -0.18 0.47 -0.34 0.00 0.00 178.44 180.08 1n3k n ASP 96 N -4.03 0.27 -4.57 1.25 8.00 -1.26 -4.79 116.55 111.42 1n3k n ASP 96 Ca -0.02 -0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 1n3k n ASP 96 Cb 0.56 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1n3k n ASP 96 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1n3k s THR 97 N -2.84 3.87 -1.50 -3.53 -4.23 -1.14 -4.85 115.64 101.41 1n3k s THR 97 Ca 0.18 0.69 0.13 0.00 -1.18 0.00 0.00 61.69 61.51 1n3k s THR 97 Cb 0.19 -4.72 0.47 0.00 1.34 0.00 0.00 72.50 69.78 1n3k s THR 97 CO 0.56 -1.47 1.35 0.29 -0.54 0.00 0.00 174.62 174.82 1n3k n LYS 98 N 8.80 2.63 -2.36 3.99 4.01 -1.26 -4.95 118.16 129.01 1n3k n LYS 98 Ca 0.08 -1.88 -0.32 0.00 -0.51 0.00 0.00 58.31 55.67 1n3k n LYS 98 Cb 0.49 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.39 1n3k n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1n3k s LEU 99 N -1.28 3.61 0.00 -0.35 1.43 -1.26 -5.07 118.68 115.77 1n3k s LEU 99 Ca 0.34 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1n3k s LEU 99 Cb 0.21 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1n3k s LEU 99 CO 0.19 -0.64 0.00 0.35 0.23 0.00 0.00 176.35 176.47 1n3k n THR 100 N -1.62 0.00 -2.83 5.49 -2.24 -1.26 -4.79 114.28 107.02 1n3k n THR 100 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 1n3k n THR 100 Cb 0.54 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1n3k n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n3k n ARG 101 N 0.00 4.59 -3.70 -0.78 3.00 -1.26 -4.83 116.66 113.68 1n3k n ARG 101 Ca 0.00 -4.44 -0.38 0.00 -0.01 0.00 0.00 57.85 53.02 1n3k n ARG 101 Cb 0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 32.46 29.80 1n3k n ARG 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1n3k s ILE 102 N -2.72 3.86 0.11 0.55 1.09 -1.26 -4.96 121.20 117.87 1n3k s ILE 102 Ca 0.34 -1.41 0.33 0.00 -1.10 0.00 0.00 60.65 58.81 1n3k s ILE 102 Cb 0.08 -3.34 0.36 0.00 -1.06 0.00 0.00 42.46 38.50 1n3k s ILE 102 CO 0.05 -0.40 2.00 -0.65 -0.10 0.00 0.00 174.94 175.84 1n3k h PRO 103 N 8.26 0.00 -0.00 2.79 0.11 -1.89 1.15 132.00 142.42 1n3k h PRO 103 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1n3k h PRO 103 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1n3k h PRO 103 CO 0.68 0.00 -0.22 -1.13 -0.21 0.00 0.00 178.00 177.13 1n3k n SER 104 N -2.80 0.28 0.11 -2.05 3.41 -1.26 -4.56 113.62 106.75 1n3k n SER 104 Ca -0.00 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1n3k n SER 104 Cb 0.18 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1n3k n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n3k n ALA 105 N -1.41 3.00 -1.76 7.33 0.00 -0.87 -5.07 120.51 121.74 1n3k n ALA 105 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1n3k n ALA 105 Cb 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1n3k n ALA 105 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n3k s LYS 106 N -2.00 4.76 0.77 0.00 -0.14 0.39 -5.01 119.74 118.51 1n3k s LYS 106 Ca 0.00 1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 56.06 1n3k s LYS 106 Cb 0.00 -3.20 0.05 0.00 -1.68 0.00 0.00 37.83 33.00 1n3k s LYS 106 CO 0.00 0.40 1.09 0.15 -0.76 0.00 0.00 175.35 176.23 1n3k s LYS 107 N -1.35 2.31 0.06 1.68 1.02 -1.26 -3.59 119.74 118.62 1n3k s LYS 107 Ca 0.43 0.72 0.06 0.00 0.02 0.00 0.00 55.97 57.19 1n3k s LYS 107 Cb -0.27 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1n3k s LYS 107 CO 0.34 -1.48 -0.09 1.52 -0.92 0.00 0.00 175.35 174.72 1n3k s TYR 108 N -3.13 2.79 -2.46 3.18 1.13 -1.26 -4.87 117.35 112.73 1n3k s TYR 108 Ca 0.60 -0.12 0.23 0.00 -1.41 0.00 0.00 57.07 56.37 1n3k s TYR 108 Cb -0.14 -1.50 0.49 0.00 -1.10 0.00 0.00 41.96 39.70 1n3k s TYR 108 CO 0.54 0.39 1.43 0.36 -2.51 0.00 0.00 175.55 175.77 1n3k n LYS 109 N 1.06 2.32 0.32 -3.49 2.85 -1.26 -4.11 118.16 115.85 1n3k n LYS 109 Ca -0.14 -1.98 0.21 0.00 -1.05 0.00 0.00 58.31 55.35 1n3k n LYS 109 Cb 0.52 -1.48 1.03 0.00 -0.65 0.00 0.00 35.03 34.45 1n3k n LYS 109 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1n3k h ASP 110 N 3.95 0.00 -4.33 -5.58 3.32 -2.05 -3.43 116.42 108.31 1n3k h ASP 110 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1n3k h ASP 110 Cb 0.87 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.52 1n3k h ASP 110 CO 0.00 0.00 0.35 -0.51 -1.72 0.00 0.00 179.24 177.36 1n3k s ILE 111 N -3.97 3.79 -0.76 0.35 2.07 -1.26 -4.93 121.20 116.49 1n3k s ILE 111 Ca -0.03 0.59 -0.26 0.00 -1.41 0.00 0.00 60.65 59.53 1n3k s ILE 111 Cb 0.11 -3.24 0.03 0.00 0.13 0.00 0.00 42.46 39.49 1n3k s ILE 111 CO 0.45 -0.76 1.35 -0.63 -1.91 0.00 0.00 174.94 173.44 1n3k s ILE 112 N -2.99 3.71 -0.07 2.00 -1.09 -1.26 -4.98 121.20 116.52 1n3k s ILE 112 Ca 0.59 0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 59.01 1n3k s ILE 112 Cb -0.15 -4.86 -0.03 0.00 -1.58 0.00 0.00 42.46 35.84 1n3k s ILE 112 CO 0.55 -1.79 0.81 -0.13 -1.23 0.00 0.00 174.94 173.14 1n3k s ARG 113 N 5.76 4.44 0.07 2.79 1.81 -1.26 -5.03 118.95 127.52 1n3k s ARG 113 Ca 0.39 1.06 -0.27 0.00 -1.72 0.00 0.00 55.73 55.19 1n3k s ARG 113 Cb -0.07 -3.48 -0.06 0.00 -0.45 0.00 0.00 34.95 30.89 1n3k s ARG 113 CO 0.12 -0.06 0.84 -0.65 -0.68 0.00 0.00 175.30 174.87 1n3k s GLN 114 N 1.17 4.57 0.24 3.54 -0.21 -1.26 -4.95 119.66 122.76 1n3k s GLN 114 Ca 0.42 1.21 0.21 0.00 0.02 0.00 0.00 55.36 57.22 1n3k s GLN 114 Cb -0.18 -3.37 0.95 0.00 1.00 0.00 0.00 33.01 31.41 1n3k s GLN 114 CO 0.19 0.26 1.65 -0.35 -2.12 0.00 0.00 175.29 174.92 1n3k n PRO 115 N 2.80 0.16 -2.48 2.91 -0.04 -1.26 -4.35 135.00 132.73 1n3k n PRO 115 Ca -0.01 0.46 -0.40 0.00 -0.04 0.00 0.00 63.50 63.52 1n3k n PRO 115 Cb 0.50 -1.84 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1n3k n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n3k s SER 116 N -4.03 6.46 -1.14 3.54 0.01 -1.26 -4.88 113.70 112.40 1n3k s SER 116 Ca 0.03 -2.18 -0.22 0.00 1.31 0.00 0.00 55.95 54.89 1n3k s SER 116 Cb 0.08 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1n3k s SER 116 CO 0.31 -1.56 1.85 -1.61 0.41 0.00 0.00 173.24 172.64 1n3k s GLU 117 N 4.75 2.93 0.10 12.44 2.02 -1.26 -4.74 118.70 134.93 1n3k s GLU 117 Ca 0.56 -1.19 0.16 0.00 0.02 0.00 0.00 54.97 54.53 1n3k s GLU 117 Cb 0.03 -5.29 0.71 0.00 0.10 0.00 0.00 34.13 29.67 1n3k s GLU 117 CO 0.07 -3.34 1.51 0.39 0.02 0.00 0.00 175.26 173.91 1n3k n GLU 118 N 8.47 0.07 -0.02 1.61 1.02 -1.26 -1.59 120.64 128.93 1n3k n GLU 118 Ca 0.44 0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.84 1n3k n GLU 118 Cb 0.47 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1n3k n GLU 118 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1n3k h GLU 119 N 0.00 -0.08 -0.86 3.49 4.81 -2.02 -3.31 114.58 116.62 1n3k h GLU 119 Ca 0.00 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1n3k h GLU 119 Cb 0.25 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.53 1n3k h GLU 119 CO 0.00 0.42 0.26 0.44 -0.73 0.00 0.00 179.01 179.40 1n3k n ILE 120 N -4.77 2.33 1.12 2.32 -5.35 -1.19 -4.34 119.36 109.48 1n3k n ILE 120 Ca -0.06 -1.22 0.12 0.00 -0.27 0.00 0.00 62.75 61.31 1n3k n ILE 120 Cb 0.26 -0.49 0.60 0.00 -1.74 0.00 0.00 39.64 38.27 1n3k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n3k n ILE 121 N -0.16 0.25 0.00 7.28 0.13 -0.62 -4.02 119.36 122.22 1n3k n ILE 121 Ca 0.33 0.06 0.00 0.00 -1.10 0.00 0.00 62.75 62.04 1n3k n ILE 121 Cb 1.17 -0.67 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 1n3k n ILE 121 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1n3k n LYS 122 N -1.28 0.00 -2.56 9.51 5.02 -1.26 -4.49 118.16 123.10 1n3k n LYS 122 Ca 0.11 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 56.36 1n3k n LYS 122 Cb 0.19 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1n3k n LYS 122 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n3k n LEU 123 N -1.70 6.40 -4.71 -0.35 4.77 -1.26 -5.00 117.00 115.16 1n3k n LEU 123 Ca 0.00 -4.73 -0.42 0.00 -0.03 0.00 0.00 56.01 50.83 1n3k n LEU 123 Cb 0.00 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.60 1n3k n LEU 123 CO 0.00 1.35 0.77 0.00 -1.33 0.00 0.00 177.39 178.18 1n3k s ALA 124 N -0.08 3.27 -1.02 -1.18 0.00 -1.26 -4.99 121.76 116.50 1n3k s ALA 124 Ca 0.38 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1n3k s ALA 124 Cb 0.07 -3.39 0.28 0.00 0.00 0.00 0.00 23.12 20.08 1n3k s ALA 124 CO 0.02 -0.32 1.16 -0.35 0.00 0.00 0.00 175.76 176.28 1n3k n PRO 125 N 3.86 3.64 -2.19 0.00 -0.04 -1.26 -5.04 135.00 133.96 1n3k n PRO 125 Ca 0.07 -4.52 -0.43 0.00 -0.04 0.00 0.00 63.50 58.58 1n3k n PRO 125 Cb 0.49 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1n3k n PRO 125 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1n3k s PRO 126 N -1.98 3.84 0.48 0.54 0.04 -1.26 -5.00 135.00 131.65 1n3k s PRO 126 Ca 0.31 1.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 1n3k s PRO 126 Cb -0.02 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.46 1n3k s PRO 126 CO -0.01 -1.24 1.16 -1.25 0.04 0.00 0.00 177.00 175.69 1n3k s PRO 127 N 4.53 3.68 0.18 0.56 0.04 -1.26 -5.01 135.00 137.71 1n3k s PRO 127 Ca 0.67 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1n3k s PRO 127 Cb -0.23 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1n3k s PRO 127 CO 0.27 -0.61 0.90 0.21 0.04 0.00 0.00 177.00 177.82 1n3k s LYS 128 N -2.82 4.74 0.51 4.56 2.20 -1.26 -5.04 119.74 122.63 1n3k s LYS 128 Ca 0.65 1.39 -0.20 0.00 -0.36 0.00 0.00 55.97 57.46 1n3k s LYS 128 Cb -0.27 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1n3k s LYS 128 CO 0.33 0.44 1.06 -1.59 -0.36 0.00 0.00 175.35 175.23 1n3k s LYS 129 N -0.80 3.63 0.00 4.03 0.00 -1.26 -5.35 119.74 119.99 1n3k s LYS 129 Ca 0.41 1.41 0.31 0.00 0.00 0.00 0.00 55.97 58.10 1n3k s LYS 129 Cb -0.24 -2.06 1.67 0.00 0.00 0.00 0.00 37.83 37.19 1n3k s LYS 129 CO 0.30 -0.58 2.09 0.00 0.00 0.00 0.00 175.35 177.16