#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5t n GLU 3 N 0.00 0.39 0.23 0.00 -0.58 -1.26 -4.86 120.64 114.56 1n5t n GLU 3 Ca 0.00 0.20 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 1n5t n GLU 3 Cb 0.00 -2.36 0.55 0.00 -0.57 0.00 0.00 31.44 29.06 1n5t n GLU 3 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1n5t h VAL 4 N -0.54 0.82 -0.35 2.62 -1.51 -2.04 -1.80 116.25 113.46 1n5t h VAL 4 Ca -0.47 -0.88 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1n5t h VAL 4 Cb 1.31 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 1n5t h VAL 4 CO 0.47 0.22 0.01 -0.46 -1.23 0.00 0.00 177.57 176.58 1n5t n ASN 5 N -3.79 4.11 -4.70 4.19 6.94 -1.26 -4.98 115.26 115.77 1n5t n ASN 5 Ca -0.02 -3.08 -0.42 0.00 -0.02 0.00 0.00 54.58 51.04 1n5t n ASN 5 Cb 0.32 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1n5t n ASN 5 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1n5t s ASP 6 N -1.76 6.58 0.18 0.53 -1.08 -0.68 -4.87 116.67 115.58 1n5t s ASP 6 Ca 0.45 2.56 0.15 0.00 -0.52 0.00 0.00 52.55 55.19 1n5t s ASP 6 Cb 0.37 -2.58 0.74 0.00 -1.46 0.00 0.00 42.92 39.99 1n5t s ASP 6 CO 0.09 -0.87 1.46 -0.81 0.52 0.00 0.00 175.17 175.56 1n5t n PRO 7 N 4.94 0.09 0.27 4.34 -0.04 -1.26 -1.97 135.00 141.36 1n5t n PRO 7 Ca 0.15 0.52 0.16 0.00 -0.04 0.00 0.00 63.50 64.30 1n5t n PRO 7 Cb 0.39 -1.76 0.60 0.00 -0.04 0.00 0.00 33.50 32.69 1n5t n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5t h ARG 8 N 0.00 0.00 -6.38 0.54 3.08 -1.97 -3.41 114.38 106.24 1n5t h ARG 8 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1n5t h ARG 8 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1n5t h ARG 8 CO 0.00 0.00 1.11 0.08 -1.07 0.00 0.00 179.97 180.09 1n5t s VAL 9 N -3.59 3.76 -1.21 2.04 1.01 -0.83 -4.19 120.40 117.39 1n5t s VAL 9 Ca 0.02 0.63 0.19 0.00 0.00 0.00 0.00 61.98 62.83 1n5t s VAL 9 Cb 0.08 -4.45 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 1n5t s VAL 9 CO 0.56 -1.20 0.88 0.61 0.00 0.00 0.00 175.10 175.94 1n5t n GLY 10 N 5.29 -0.54 3.42 4.51 0.00 -0.72 -4.70 105.19 112.44 1n5t n GLY 10 Ca 0.12 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1n5t n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5t s PHE 11 N -2.64 -0.63 0.00 1.61 5.36 -0.75 -4.71 117.98 116.22 1n5t s PHE 11 Ca 0.10 1.46 0.04 0.00 -0.96 0.00 0.00 56.93 57.58 1n5t s PHE 11 Cb 0.15 0.25 -0.01 0.00 -0.34 0.00 0.00 43.02 43.07 1n5t s PHE 11 CO 0.70 -0.31 -0.13 0.08 -1.46 0.00 0.00 175.22 174.09 1n5t s VAL 12 N 0.60 1.06 0.01 3.12 1.01 0.21 -0.43 120.40 125.98 1n5t s VAL 12 Ca -0.03 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1n5t s VAL 12 Cb -0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1n5t s VAL 12 CO -0.04 0.22 -0.26 0.00 0.00 0.00 0.00 175.10 175.03 1n5t s ALA 13 N -0.44 2.18 -0.23 5.51 0.00 -0.69 -1.22 121.76 126.87 1n5t s ALA 13 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1n5t s ALA 13 Cb -0.06 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.61 1n5t s ALA 13 CO -0.00 0.53 -0.06 0.08 0.00 0.00 0.00 175.76 176.30 1n5t s VAL 14 N -0.70 1.59 -0.22 0.00 1.01 -0.72 -0.48 120.40 120.87 1n5t s VAL 14 Ca 0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1n5t s VAL 14 Cb -0.10 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1n5t s VAL 14 CO 0.00 -0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.29 1n5t s VAL 15 N 1.37 3.08 -0.16 2.92 1.01 -0.44 -0.83 120.40 127.35 1n5t s VAL 15 Ca -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1n5t s VAL 15 Cb -0.19 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1n5t s VAL 15 CO -0.06 0.37 -0.01 -0.89 0.00 0.00 0.00 175.10 174.51 1n5t s THR 16 N 1.42 4.16 -0.33 3.92 2.01 0.21 -0.71 115.64 126.32 1n5t s THR 16 Ca 0.04 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 1n5t s THR 16 Cb -0.15 -2.84 0.04 0.00 0.01 0.00 0.00 72.50 69.57 1n5t s THR 16 CO -0.05 0.49 0.07 -0.36 -0.69 0.00 0.00 174.62 174.08 1n5t s PHE 17 N 0.34 3.26 -0.08 4.92 0.40 0.88 -1.29 117.98 126.42 1n5t s PHE 17 Ca -0.02 -1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 54.44 1n5t s PHE 17 Cb -0.14 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1n5t s PHE 17 CO 0.02 -0.75 1.34 -1.25 0.70 0.00 0.00 175.22 175.27 1n5t s PRO 18 N 1.35 4.27 0.29 0.24 0.04 -1.26 -1.26 135.00 138.67 1n5t s PRO 18 Ca -0.03 1.82 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1n5t s PRO 18 Cb -0.20 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.60 1n5t s PRO 18 CO 0.02 -0.62 -0.07 0.14 0.04 0.00 0.00 177.00 176.51 1n5t s VAL 19 N 2.93 1.75 -1.58 -0.36 -7.23 0.51 -0.32 120.40 116.09 1n5t s VAL 19 Ca 0.60 -2.14 0.28 0.00 -1.81 0.00 0.00 61.98 58.90 1n5t s VAL 19 Cb -0.27 -2.48 0.33 0.00 0.56 0.00 0.00 36.38 34.52 1n5t s VAL 19 CO 0.22 -0.28 1.72 -0.90 -0.31 0.00 0.00 175.10 175.54 1n5t n ASP 20 N -0.62 0.64 0.00 4.85 5.68 0.12 -4.54 116.55 122.68 1n5t n ASP 20 Ca -0.05 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 1n5t n ASP 20 Cb 0.63 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 1n5t n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5t n GLY 21 N 1.33 -0.70 0.38 6.12 0.00 -1.22 -4.95 105.19 106.15 1n5t n GLY 21 Ca 0.12 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 45.13 1n5t n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n5t h PRO 22 N 0.00 0.38 -0.10 1.61 0.11 -1.91 -1.89 132.00 130.20 1n5t h PRO 22 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1n5t h PRO 22 Cb 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1n5t h PRO 22 CO 0.00 0.25 0.04 0.00 -0.21 0.00 0.00 178.00 178.09 1n5t h ALA 23 N 1.65 0.13 -0.37 -0.75 0.00 -1.94 -2.19 119.26 115.80 1n5t h ALA 23 Ca 0.36 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1n5t h ALA 23 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1n5t h ALA 23 CO -0.11 -0.28 -0.01 1.15 0.00 0.00 0.00 179.25 180.00 1n5t h THR 24 N 0.02 1.21 -0.27 0.00 2.02 -1.82 -1.10 112.91 112.97 1n5t h THR 24 Ca 0.03 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.42 1n5t h THR 24 Cb 0.16 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1n5t h THR 24 CO -0.00 0.29 -0.13 1.56 0.37 0.00 0.00 175.52 177.61 1n5t h GLN 25 N 0.56 -0.09 -0.73 6.66 4.20 -1.08 0.48 115.11 125.12 1n5t h GLN 25 Ca 0.12 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1n5t h GLN 25 Cb 0.37 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1n5t h GLN 25 CO 0.01 -0.06 0.24 1.25 -0.67 0.00 0.00 178.83 179.60 1n5t h HIS 26 N -0.09 1.15 -0.17 2.96 2.76 -1.09 -1.89 115.15 118.77 1n5t h HIS 26 Ca 0.14 -0.11 -0.14 0.00 -2.20 0.00 0.00 60.37 58.07 1n5t h HIS 26 Cb 0.31 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1n5t h HIS 26 CO -0.32 0.90 -0.47 0.87 -1.30 0.00 0.00 177.93 177.61 1n5t h LYS 27 N 1.07 0.44 -0.31 5.26 1.79 -0.38 -1.50 116.57 122.93 1n5t h LYS 27 Ca 0.24 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1n5t h LYS 27 Cb 0.28 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1n5t h LYS 27 CO -0.01 0.82 -0.12 1.25 -1.08 0.00 0.00 179.45 180.31 1n5t h LEU 28 N 0.35 0.64 -0.40 2.94 5.85 0.04 -2.44 115.31 122.29 1n5t h LEU 28 Ca 0.02 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1n5t h LEU 28 Cb 0.96 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1n5t h LEU 28 CO 0.08 0.89 0.18 0.58 -0.34 0.00 0.00 178.44 179.83 1n5t h VAL 29 N 0.39 1.18 -0.20 1.05 2.07 -1.16 -1.98 116.25 117.60 1n5t h VAL 29 Ca 0.07 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1n5t h VAL 29 Cb 0.63 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1n5t h VAL 29 CO 0.04 0.20 0.07 -0.33 0.02 0.00 0.00 177.57 177.57 1n5t h GLU 30 N 0.51 0.28 -0.04 1.57 4.39 -1.23 0.16 114.58 120.22 1n5t h GLU 30 Ca 0.14 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 1n5t h GLU 30 Cb 0.15 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1n5t h GLU 30 CO -0.01 0.24 -0.96 1.25 -1.16 0.00 0.00 179.01 178.37 1n5t h LEU 31 N 0.28 0.83 -0.00 1.33 5.85 -1.10 -2.34 115.31 120.17 1n5t h LEU 31 Ca 0.07 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1n5t h LEU 31 Cb 0.08 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1n5t h LEU 31 CO -0.01 1.43 -0.01 0.00 -0.34 0.00 0.00 178.44 179.52 1n5t h ALA 32 N 0.52 0.99 -0.29 1.25 0.00 -0.88 -3.28 119.26 117.57 1n5t h ALA 32 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n5t h ALA 32 Cb 1.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1n5t h ALA 32 CO 0.18 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.70 1n5t n THR 33 N -3.10 0.68 0.05 0.00 -2.24 0.00 -4.87 114.28 104.80 1n5t n THR 33 Ca 0.04 -0.84 0.01 0.00 -2.27 0.00 0.00 64.05 60.99 1n5t n THR 33 Cb 0.53 0.75 0.04 0.00 -2.10 0.00 0.00 70.33 69.56 1n5t n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5t n GLY 34 N 0.75 -0.20 0.00 3.38 0.00 -0.88 -4.87 105.19 103.37 1n5t n GLY 34 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1n5t n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5t n GLY 35 N -1.16 3.01 0.10 -0.02 0.00 -1.26 -4.76 105.19 101.10 1n5t n GLY 35 Ca -0.00 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1n5t n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1n5t n VAL 36 N 0.00 0.90 -0.18 1.61 3.14 -1.26 -1.92 118.33 120.63 1n5t n VAL 36 Ca 0.00 0.27 0.06 0.00 -2.96 0.00 0.00 64.34 61.71 1n5t n VAL 36 Cb 0.00 -1.16 0.28 0.00 -1.06 0.00 0.00 33.84 31.90 1n5t n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n5t n GLN 37 N -2.06 3.36 0.03 1.45 1.13 -1.26 -4.33 117.38 115.70 1n5t n GLN 37 Ca 0.02 -2.18 0.07 0.00 -1.94 0.00 0.00 57.00 52.97 1n5t n GLN 37 Cb 0.20 -1.87 0.31 0.00 0.11 0.00 0.00 30.24 29.00 1n5t n GLN 37 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1n5t n GLU 38 N 0.64 0.05 0.10 -1.09 1.02 -0.81 -2.12 120.64 118.43 1n5t n GLU 38 Ca 0.20 0.34 0.03 0.00 -0.02 0.00 0.00 57.16 57.70 1n5t n GLU 38 Cb 0.79 -1.60 0.41 0.00 -0.02 0.00 0.00 31.44 31.03 1n5t n GLU 38 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1n5t h TRP 39 N 0.00 0.30 -0.67 -0.32 5.08 -1.86 -2.08 115.95 116.41 1n5t h TRP 39 Ca 0.00 -0.02 0.11 0.00 1.08 0.00 0.00 58.89 60.06 1n5t h TRP 39 Cb 0.23 -0.09 -0.04 0.00 -3.00 0.00 0.00 29.16 26.25 1n5t h TRP 39 CO 0.00 0.34 0.44 0.82 -1.28 0.00 0.00 178.44 178.77 1n5t h ILE 40 N 0.29 0.89 -0.11 0.12 2.04 -1.79 -1.11 117.51 117.84 1n5t h ILE 40 Ca 0.07 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1n5t h ILE 40 Cb 0.25 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1n5t h ILE 40 CO 0.01 0.09 0.08 0.03 0.00 0.00 0.00 178.15 178.35 1n5t h ARG 41 N 0.47 0.00 -0.25 2.37 3.08 -1.56 -0.74 114.38 117.75 1n5t h ARG 41 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1n5t h ARG 41 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1n5t h ARG 41 CO -0.10 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.19 1n5t n GLU 42 N -4.48 2.36 -2.13 0.04 1.02 -0.43 -4.94 120.64 112.06 1n5t n GLU 42 Ca -0.00 -2.03 -0.41 0.00 -0.02 0.00 0.00 57.16 54.69 1n5t n GLU 42 Cb 0.19 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1n5t n GLU 42 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n5t s VAL 43 N -1.69 3.01 0.14 2.62 1.01 -0.29 -4.94 120.40 120.27 1n5t s VAL 43 Ca 0.35 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.84 1n5t s VAL 43 Cb 0.21 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1n5t s VAL 43 CO 0.31 0.12 1.63 -2.84 0.00 0.00 0.00 175.10 174.32 1n5t s PRO 44 N -0.03 4.19 0.00 2.72 0.02 -1.26 -2.13 135.00 138.50 1n5t s PRO 44 Ca 0.59 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1n5t s PRO 44 Cb -0.39 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.83 1n5t s PRO 44 CO 0.39 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1n5t n GLY 45 N 3.89 1.18 3.70 0.52 0.00 -1.26 -4.86 105.19 108.36 1n5t n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1n5t n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5t s PHE 46 N -2.41 3.41 -0.12 1.61 5.36 -0.91 -0.08 117.98 124.85 1n5t s PHE 46 Ca 0.00 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1n5t s PHE 46 Cb 0.00 -3.36 -0.09 0.00 -0.34 0.00 0.00 43.02 39.23 1n5t s PHE 46 CO 0.00 -1.03 -0.10 1.28 -1.46 0.00 0.00 175.22 173.91 1n5t n LEU 47 N 4.29 2.68 -3.59 6.12 4.77 -0.11 -4.91 117.00 126.26 1n5t n LEU 47 Ca 0.09 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1n5t n LEU 47 Cb 0.47 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1n5t n LEU 47 CO 0.55 0.66 0.97 -0.94 -1.33 0.00 0.00 177.39 177.30 1n5t s SER 48 N -5.11 -0.17 -0.10 -1.43 1.04 -0.75 -4.15 113.70 103.03 1n5t s SER 48 Ca -0.16 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 1n5t s SER 48 Cb 0.04 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1n5t s SER 48 CO 0.30 -0.26 0.05 0.00 0.98 0.00 0.00 173.24 174.31 1n5t s ALA 49 N -2.27 0.49 -0.28 5.32 0.00 -1.26 -0.25 121.76 123.50 1n5t s ALA 49 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1n5t s ALA 49 Cb -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1n5t s ALA 49 CO -0.05 -0.72 -0.01 0.99 0.00 0.00 0.00 175.76 175.97 1n5t s THR 50 N 2.07 3.12 0.01 0.00 2.01 -0.59 -4.96 115.64 117.30 1n5t s THR 50 Ca 0.04 -1.14 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 1n5t s THR 50 Cb -0.14 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.63 1n5t s THR 50 CO -0.06 0.03 0.55 -0.31 -0.69 0.00 0.00 174.62 174.15 1n5t s TYR 51 N 1.32 3.70 0.16 4.92 1.51 -1.26 -1.16 117.35 126.55 1n5t s TYR 51 Ca -0.02 1.16 0.08 0.00 -1.01 0.00 0.00 57.07 57.29 1n5t s TYR 51 Cb -0.18 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1n5t s TYR 51 CO -0.02 0.43 -0.17 -1.01 -1.11 0.00 0.00 175.55 173.67 1n5t s HIS 52 N -0.45 1.75 -0.19 2.71 3.76 0.51 -4.97 115.29 118.40 1n5t s HIS 52 Ca 0.29 -0.49 -0.03 0.00 -0.15 0.00 0.00 55.06 54.69 1n5t s HIS 52 Cb -0.18 -0.88 -0.01 0.00 1.11 0.00 0.00 32.58 32.62 1n5t s HIS 52 CO 0.17 0.30 -0.07 0.00 -0.85 0.00 0.00 174.74 174.29 1n5t s ALA 53 N -2.08 2.78 0.44 -1.40 0.00 -1.26 -1.66 121.76 118.58 1n5t s ALA 53 Ca 0.15 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 1n5t s ALA 53 Cb -0.05 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.42 1n5t s ALA 53 CO 0.06 -0.18 1.26 -1.13 0.00 0.00 0.00 175.76 175.77 1n5t n SER 54 N 4.32 2.45 0.06 0.00 3.41 0.07 -4.89 113.62 119.05 1n5t n SER 54 Ca -0.18 1.08 0.03 0.00 -0.26 0.00 0.00 58.87 59.54 1n5t n SER 54 Cb 0.51 -1.50 0.41 0.00 -0.26 0.00 0.00 64.21 63.38 1n5t n SER 54 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1n5t h THR 55 N 1.93 1.13 0.00 6.66 1.35 -1.98 -1.98 112.91 120.02 1n5t h THR 55 Ca -0.48 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1n5t h THR 55 Cb 1.30 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1n5t h THR 55 CO 0.59 0.16 0.00 -0.90 -0.25 0.00 0.00 175.52 175.13 1n5t n ASP 56 N -4.39 0.00 0.00 5.36 5.68 -1.26 -4.89 116.55 117.05 1n5t n ASP 56 Ca 0.01 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1n5t n ASP 56 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1n5t n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5t n GLY 57 N 0.42 0.76 0.33 6.12 0.00 -0.75 -4.89 105.19 107.18 1n5t n GLY 57 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1n5t n GLY 57 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n5t n THR 58 N -2.08 0.00 -3.53 2.61 -2.24 -1.26 -3.28 114.28 104.50 1n5t n THR 58 Ca 0.00 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1n5t n THR 58 Cb 0.01 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1n5t n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n5t s ALA 59 N -2.52 -1.48 -0.10 6.98 0.00 -1.26 -0.37 121.76 123.01 1n5t s ALA 59 Ca 0.21 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1n5t s ALA 59 Cb 0.19 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1n5t s ALA 59 CO 0.56 -0.53 -0.19 0.08 0.00 0.00 0.00 175.76 175.68 1n5t s VAL 60 N -2.44 2.56 -0.07 0.00 1.01 -0.39 -0.75 120.40 120.33 1n5t s VAL 60 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1n5t s VAL 60 Cb -0.01 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1n5t s VAL 60 CO -0.01 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1n5t s VAL 61 N 0.14 1.30 -0.21 2.92 1.01 -0.67 -0.08 120.40 124.81 1n5t s VAL 61 Ca -0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1n5t s VAL 61 Cb -0.16 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1n5t s VAL 61 CO 0.06 0.39 0.03 0.21 0.00 0.00 0.00 175.10 175.79 1n5t s ASN 62 N 0.50 5.05 -0.35 3.32 2.47 0.12 -0.36 114.94 125.68 1n5t s ASN 62 Ca -0.13 -0.15 -0.11 0.00 0.42 0.00 0.00 52.86 52.88 1n5t s ASN 62 Cb -0.15 -1.87 0.01 0.00 -1.45 0.00 0.00 41.25 37.78 1n5t s ASN 62 CO 0.04 0.06 0.21 -0.47 -3.72 0.00 0.00 177.10 173.22 1n5t s TYR 63 N 1.03 3.22 -0.08 0.43 6.14 -0.31 -1.33 117.35 126.45 1n5t s TYR 63 Ca 0.03 -0.64 0.04 0.00 0.64 0.00 0.00 57.07 57.14 1n5t s TYR 63 Cb -0.14 -2.44 -0.01 0.00 0.42 0.00 0.00 41.96 39.79 1n5t s TYR 63 CO 0.02 -0.52 -0.22 0.00 0.64 0.00 0.00 175.55 175.47 1n5t s ALA 64 N 1.62 2.26 -0.19 3.97 0.00 0.37 -1.54 121.76 128.25 1n5t s ALA 64 Ca 0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1n5t s ALA 64 Cb -0.18 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1n5t s ALA 64 CO 0.08 0.35 0.02 -0.65 0.00 0.00 0.00 175.76 175.56 1n5t s GLN 65 N 0.06 3.73 0.16 0.00 -0.21 0.65 -1.71 119.66 122.35 1n5t s GLN 65 Ca -0.09 -0.47 0.08 0.00 0.02 0.00 0.00 55.36 54.90 1n5t s GLN 65 Cb -0.15 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1n5t s GLN 65 CO 0.06 0.10 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.58 1n5t s TRP 66 N 0.78 1.76 0.31 0.91 0.52 0.43 -0.93 118.94 122.72 1n5t s TRP 66 Ca 0.01 -0.49 0.08 0.00 0.02 0.00 0.00 56.10 55.72 1n5t s TRP 66 Cb -0.14 -0.88 0.52 0.00 -1.15 0.00 0.00 33.47 31.82 1n5t s TRP 66 CO 0.02 0.31 1.74 0.93 0.02 0.00 0.00 176.95 179.97 1n5t h GLU 67 N 3.24 0.21 -2.95 4.98 5.08 -0.66 -1.72 114.58 122.77 1n5t h GLU 67 Ca -0.42 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1n5t h GLU 67 Cb 1.21 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 1n5t h GLU 67 CO 0.52 0.56 0.24 -1.54 -1.00 0.00 0.00 179.01 177.79 1n5t s SER 68 N -6.88 -0.42 0.43 1.42 1.04 -1.26 -2.94 113.70 105.09 1n5t s SER 68 Ca -0.04 -0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.23 1n5t s SER 68 Cb 0.14 0.64 0.94 0.00 0.10 0.00 0.00 66.02 67.84 1n5t s SER 68 CO 0.76 -1.12 1.98 -0.08 0.98 0.00 0.00 173.24 175.77 1n5t h GLU 69 N 2.00 0.12 -0.42 4.02 4.22 -1.90 -2.77 114.58 119.85 1n5t h GLU 69 Ca -0.27 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.05 1n5t h GLU 69 Cb 1.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1n5t h GLU 69 CO 0.31 0.25 -0.14 1.96 -2.18 0.00 0.00 179.01 179.20 1n5t h GLN 70 N 0.11 0.76 -0.30 1.92 7.50 -1.98 -0.07 115.11 123.05 1n5t h GLN 70 Ca 0.02 -0.27 -0.00 0.00 0.50 0.00 0.00 58.65 58.91 1n5t h GLN 70 Cb 0.29 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1n5t h GLN 70 CO 0.02 0.87 0.19 0.00 -1.50 0.00 0.00 178.83 178.40 1n5t h ALA 71 N 1.16 0.39 0.03 3.87 0.00 -1.83 -0.23 119.26 122.65 1n5t h ALA 71 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n5t h ALA 71 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n5t h ALA 71 CO 0.04 -0.12 -0.01 -0.92 0.00 0.00 0.00 179.25 178.24 1n5t h TYR 72 N 0.39 -0.04 -0.31 0.00 3.20 -1.31 -1.80 116.97 117.11 1n5t h TYR 72 Ca 0.11 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 1n5t h TYR 72 Cb -0.00 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1n5t h TYR 72 CO -0.04 0.21 -0.39 -0.09 -1.64 0.00 0.00 178.16 176.20 1n5t h ARG 73 N -0.28 0.81 0.00 1.82 2.43 -0.90 -1.25 114.38 117.01 1n5t h ARG 73 Ca -0.00 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1n5t h ARG 73 Cb 0.26 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1n5t h ARG 73 CO 0.01 1.09 -1.12 0.28 -1.51 0.00 0.00 179.97 178.72 1n5t n VAL 74 N -4.14 1.44 -0.27 0.20 0.31 -0.11 -2.58 118.33 113.18 1n5t n VAL 74 Ca -0.04 0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.45 1n5t n VAL 74 Cb 0.54 -2.18 0.21 0.00 -0.91 0.00 0.00 33.84 31.50 1n5t n VAL 74 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1n5t h ASN 75 N -0.87 0.36 0.00 4.52 -0.26 -1.42 0.57 115.58 118.48 1n5t h ASN 75 Ca -0.11 0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1n5t h ASN 75 Cb 0.98 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.30 1n5t h ASN 75 CO -0.06 0.12 -0.66 0.15 -1.06 0.00 0.00 177.43 175.92 1n5t h PHE 76 N 0.49 0.00 -0.02 1.19 3.57 -1.41 -3.38 116.94 117.37 1n5t h PHE 76 Ca 0.45 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 1n5t h PHE 76 Cb 0.69 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1n5t h PHE 76 CO -0.14 0.43 -0.19 0.78 -2.23 0.00 0.00 178.31 176.96 1n5t h GLY 77 N -1.00 0.04 1.25 2.40 0.00 -0.95 -2.21 103.07 102.59 1n5t h GLY 77 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1n5t h GLY 77 CO -0.06 0.02 -0.61 0.00 0.00 0.00 0.00 176.54 175.90 1n5t h ALA 78 N 1.78 0.62 -2.63 3.60 0.00 -0.74 -3.45 119.26 118.44 1n5t h ALA 78 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.39 1n5t h ALA 78 Cb 0.35 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.18 1n5t h ALA 78 CO 0.03 0.00 0.74 0.34 0.00 0.00 0.00 179.25 180.36 1n5t s ASP 79 N -4.58 6.76 0.51 0.00 -1.08 -0.83 -4.89 116.67 112.56 1n5t s ASP 79 Ca 0.05 2.47 0.22 0.00 -0.52 0.00 0.00 52.55 54.77 1n5t s ASP 79 Cb 0.12 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 40.29 1n5t s ASP 79 CO 0.72 -0.66 2.02 -0.65 0.52 0.00 0.00 175.17 177.11 1n5t h PRO 80 N 6.05 0.07 0.00 4.34 0.11 -1.87 -1.37 132.00 139.33 1n5t h PRO 80 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1n5t h PRO 80 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n5t h PRO 80 CO 0.83 0.05 -0.03 0.00 -0.21 0.00 0.00 178.00 178.64 1n5t h ARG 81 N 0.07 0.00 0.03 1.05 3.08 -1.90 -1.30 114.38 115.41 1n5t h ARG 81 Ca 0.22 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.05 1n5t h ARG 81 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1n5t h ARG 81 CO -0.02 0.03 -0.97 0.66 -1.07 0.00 0.00 179.97 178.60 1n5t h SER 82 N 0.00 0.34 -0.60 7.04 4.64 -1.47 -0.58 113.55 122.92 1n5t h SER 82 Ca -0.00 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 1n5t h SER 82 Cb 0.06 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1n5t h SER 82 CO 0.00 1.13 0.03 0.00 -0.87 0.00 0.00 176.83 177.12 1n5t h ALA 83 N 0.84 0.81 0.06 5.18 0.00 -1.46 0.42 119.26 125.10 1n5t h ALA 83 Ca -0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1n5t h ALA 83 Cb 1.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1n5t h ALA 83 CO 0.15 0.63 -0.11 1.49 0.00 0.00 0.00 179.25 181.41 1n5t h GLU 84 N 0.95 -0.21 -0.39 0.00 4.81 -1.17 -1.69 114.58 116.89 1n5t h GLU 84 Ca 0.17 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1n5t h GLU 84 Cb 0.52 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1n5t h GLU 84 CO 0.03 -0.14 0.21 1.25 -0.73 0.00 0.00 179.01 179.63 1n5t h LEU 85 N -0.22 0.48 -0.79 1.64 5.85 -0.83 -2.75 115.31 118.69 1n5t h LEU 85 Ca 0.02 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.76 1n5t h LEU 85 Cb 0.24 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 1n5t h LEU 85 CO -0.07 0.43 0.43 0.03 -0.34 0.00 0.00 178.44 178.92 1n5t h ARG 86 N 0.50 0.68 -0.38 1.25 3.08 0.11 -1.82 114.38 117.80 1n5t h ARG 86 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1n5t h ARG 86 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n5t h ARG 86 CO -0.02 0.45 0.19 1.49 -1.07 0.00 0.00 179.97 181.01 1n5t h GLU 87 N 0.70 0.54 -0.83 0.04 4.57 -1.20 -1.85 114.58 116.55 1n5t h GLU 87 Ca 0.39 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1n5t h GLU 87 Cb 0.41 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1n5t h GLU 87 CO -0.27 0.46 0.38 0.00 -1.18 0.00 0.00 179.01 178.40 1n5t h ALA 88 N 1.04 1.07 -0.12 2.92 0.00 -1.17 -1.96 119.26 121.04 1n5t h ALA 88 Ca 0.13 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1n5t h ALA 88 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1n5t h ALA 88 CO -0.02 0.65 -0.50 -0.07 0.00 0.00 0.00 179.25 179.32 1n5t h LEU 89 N 1.19 0.34 -0.24 0.00 3.38 -1.06 -3.08 115.31 115.84 1n5t h LEU 89 Ca 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n5t h LEU 89 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n5t h LEU 89 CO -0.03 0.79 0.00 0.77 0.09 0.00 0.00 178.44 180.05 1n5t h SER 90 N 0.25 0.00 0.08 -0.43 4.64 -0.88 -3.19 113.55 114.03 1n5t h SER 90 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1n5t h SER 90 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1n5t h SER 90 CO 0.08 0.00 -0.72 -1.20 -0.87 0.00 0.00 176.83 174.13 1n5t n SER 91 N -2.57 1.23 -4.73 4.97 7.64 -0.78 -4.93 113.62 114.45 1n5t n SER 91 Ca 0.04 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1n5t n SER 91 Cb 0.42 0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 1n5t n SER 91 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1n5t s LEU 92 N -2.81 4.37 0.44 -3.43 2.96 -1.18 -4.97 118.68 114.06 1n5t s LEU 92 Ca 0.13 2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 56.57 1n5t s LEU 92 Cb 0.17 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 1n5t s LEU 92 CO 0.73 -0.87 1.22 -2.16 -1.32 0.00 0.00 176.35 173.95 1n5t s PRO 93 N 0.59 3.80 0.00 0.98 0.04 -1.26 -3.47 135.00 135.68 1n5t s PRO 93 Ca 0.69 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1n5t s PRO 93 Cb -0.46 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1n5t s PRO 93 CO 0.37 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1n5t n GLY 94 N 0.58 1.18 3.76 0.56 0.00 -1.26 -4.93 105.19 105.08 1n5t n GLY 94 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1n5t n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5t s LEU 95 N 0.00 4.49 0.05 0.99 1.43 -1.23 0.14 118.68 124.55 1n5t s LEU 95 Ca 0.00 2.40 0.23 0.00 -1.03 0.00 0.00 54.13 55.72 1n5t s LEU 95 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1n5t s LEU 95 CO 0.00 -0.32 0.93 0.23 0.23 0.00 0.00 176.35 177.41 1n5t n MET 96 N 1.40 0.36 -3.81 1.70 2.81 0.56 -4.85 117.12 115.29 1n5t n MET 96 Ca 0.01 -0.02 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 1n5t n MET 96 Cb 0.44 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.36 1n5t n MET 96 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n5t n GLY 97 N 1.34 0.34 3.80 3.03 0.00 -1.25 -5.03 105.19 107.41 1n5t n GLY 97 Ca 0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 1n5t n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5t s PRO 98 N -2.02 3.75 0.63 1.61 0.04 -1.26 -4.55 135.00 133.19 1n5t s PRO 98 Ca 0.26 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 1n5t s PRO 98 Cb -0.01 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1n5t s PRO 98 CO 0.01 -0.47 1.26 -1.25 0.04 0.00 0.00 177.00 176.59 1n5t s PRO 99 N -3.39 2.69 -0.10 0.56 0.04 -1.26 -4.72 135.00 128.82 1n5t s PRO 99 Ca 0.66 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.70 1n5t s PRO 99 Cb -0.16 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1n5t s PRO 99 CO 0.23 -1.46 -0.17 0.15 0.04 0.00 0.00 177.00 175.78 1n5t s LYS 100 N -3.38 2.42 0.08 4.56 3.01 -0.41 -4.95 119.74 121.07 1n5t s LYS 100 Ca 0.81 -0.64 0.04 0.00 -1.01 0.00 0.00 55.97 55.16 1n5t s LYS 100 Cb -0.35 -1.98 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1n5t s LYS 100 CO 0.37 0.01 0.04 0.00 0.51 0.00 0.00 175.35 176.28 1n5t s ALA 101 N 0.78 3.45 -0.10 5.17 0.00 -1.26 -0.62 121.76 129.19 1n5t s ALA 101 Ca -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1n5t s ALA 101 Cb -0.16 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1n5t s ALA 101 CO 0.01 0.73 -0.15 0.08 0.00 0.00 0.00 175.76 176.43 1n5t s VAL 102 N -1.35 1.43 -0.08 0.00 1.01 -0.01 -4.98 120.40 116.42 1n5t s VAL 102 Ca 0.28 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1n5t s VAL 102 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1n5t s VAL 102 CO 0.20 0.43 0.10 -0.36 0.00 0.00 0.00 175.10 175.47 1n5t s PHE 103 N 0.92 3.43 0.22 5.22 0.08 -1.26 -1.75 117.98 124.84 1n5t s PHE 103 Ca -0.08 0.37 -0.19 0.00 0.12 0.00 0.00 56.93 57.15 1n5t s PHE 103 Cb -0.15 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1n5t s PHE 103 CO -0.00 0.63 0.58 0.00 -0.10 0.00 0.00 175.22 176.33 1n5t s MET 104 N -1.24 1.49 -0.10 0.44 0.23 -0.35 -5.02 119.30 114.74 1n5t s MET 104 Ca 0.18 -0.87 0.04 0.00 -1.03 0.00 0.00 55.69 54.01 1n5t s MET 104 Cb -0.12 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1n5t s MET 104 CO 0.07 -0.65 -0.24 0.99 -2.03 0.00 0.00 175.02 173.17 1n5t s THR 105 N -3.88 2.10 0.16 3.16 2.01 -1.26 -0.62 115.64 117.31 1n5t s THR 105 Ca 0.09 -1.01 -0.32 0.00 0.31 0.00 0.00 61.69 60.77 1n5t s THR 105 Cb -0.02 -1.80 -0.11 0.00 0.01 0.00 0.00 72.50 70.58 1n5t s THR 105 CO -0.01 0.56 1.69 -2.84 -0.69 0.00 0.00 174.62 173.33 1n5t s PRO 106 N 0.32 4.16 0.00 4.92 0.02 -1.26 -4.90 135.00 138.26 1n5t s PRO 106 Ca -0.18 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1n5t s PRO 106 Cb -0.18 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1n5t s PRO 106 CO 0.09 -0.72 0.00 0.54 -0.33 0.00 0.00 177.00 176.57 1n5t n ARG 107 N 4.46 2.49 -3.60 5.54 5.12 -1.26 -5.06 116.66 124.35 1n5t n ARG 107 Ca 0.16 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.03 1n5t n ARG 107 Cb 0.37 -0.80 -0.03 0.00 -1.16 0.00 0.00 32.46 30.84 1n5t n ARG 107 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1n5t s GLY 108 N -1.55 -0.20 -0.12 -0.13 0.00 -1.26 -5.17 107.32 98.89 1n5t s GLY 108 Ca 0.00 1.98 -0.09 0.00 0.00 0.00 0.00 44.72 46.60 1n5t s GLY 108 CO 0.00 0.77 0.30 0.00 0.00 0.00 0.00 173.10 174.17 1n5t s ALA 109 N -1.84 -0.75 -0.28 3.20 0.00 -1.26 -5.09 121.76 115.74 1n5t s ALA 109 Ca 0.07 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 1n5t s ALA 109 Cb -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1n5t s ALA 109 CO -0.04 -0.17 0.12 0.42 0.00 0.00 0.00 175.76 176.09 1n5t s ILE 110 N 0.57 4.56 0.10 0.00 1.09 -1.26 -5.09 121.20 121.16 1n5t s ILE 110 Ca -0.03 -0.27 0.04 0.00 -1.10 0.00 0.00 60.65 59.29 1n5t s ILE 110 Cb -0.05 -3.23 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1n5t s ILE 110 CO -0.03 0.19 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.13 1n5t s LEU 111 N 1.63 2.41 0.49 2.97 1.43 -1.26 -5.14 118.68 121.21 1n5t s LEU 111 Ca 0.05 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 1n5t s LEU 111 Cb -0.16 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.64 1n5t s LEU 111 CO 0.06 -0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.33 1n5t s PRO 112 N -2.85 3.67 0.00 1.29 0.04 -1.26 -5.30 135.00 130.58 1n5t s PRO 112 Ca 0.07 1.57 0.23 0.00 0.04 0.00 0.00 61.00 62.91 1n5t s PRO 112 Cb -0.03 -2.19 1.38 0.00 0.04 0.00 0.00 34.50 33.71 1n5t s PRO 112 CO 0.00 -0.58 1.75 0.43 0.04 0.00 0.00 177.00 178.65