#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 n ARG 2 N 0.00 1.07 -4.57 0.03 1.74 -1.26 -5.16 116.66 108.51 1nr3 n ARG 2 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1nr3 n ARG 2 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1nr3 s GLU 3 N -1.97 2.44 0.00 5.56 4.04 -1.26 -5.10 118.70 122.41 1nr3 s GLU 3 Ca 0.00 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.24 1nr3 s GLU 3 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 34.13 31.73 1nr3 s GLU 3 CO 0.00 0.59 0.00 2.89 -1.84 0.00 0.00 175.26 176.90 1nr3 n ARG 4 N 1.68 0.00 -1.72 -4.83 1.85 -1.26 -5.19 116.66 107.19 1nr3 n ARG 4 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1nr3 n ARG 4 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nr3 n GLY 5 N -0.22 1.03 2.55 2.89 0.00 -1.26 -5.02 105.19 105.16 1nr3 n GLY 5 Ca 0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 1nr3 n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1nr3 n TRP 6 N -0.05 2.34 -2.09 1.61 4.27 -1.26 -4.01 117.44 118.24 1nr3 n TRP 6 Ca 0.00 -2.44 0.01 0.00 -3.89 0.00 0.00 57.50 51.18 1nr3 n TRP 6 Cb 0.04 -1.52 0.00 0.00 -1.36 0.00 0.00 31.31 28.47 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1nr3 n SER 7 N 0.93 0.17 -1.17 -0.67 7.64 -1.26 -4.85 113.62 114.40 1nr3 n SER 7 Ca 0.55 -1.91 -0.01 0.00 1.01 0.00 0.00 58.87 58.51 1nr3 n SER 7 Cb 0.35 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1nr3 n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr3 n GLN 8 N 0.09 0.11 0.00 1.43 6.02 -1.26 -5.08 117.38 118.70 1nr3 n GLN 8 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1nr3 n GLN 8 Cb 0.77 0.26 0.00 0.00 1.02 0.00 0.00 30.24 32.29 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nr3 n LYS 9 N -0.12 0.00 0.00 -1.09 4.76 -1.26 -5.04 118.16 115.41 1nr3 n LYS 9 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1nr3 n LYS 9 Cb 0.45 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nr3 n LYS 10 N -0.08 0.00 0.00 1.97 0.00 -1.26 -4.90 118.16 113.89 1nr3 n LYS 10 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 1nr3 n LYS 10 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 35.03 35.72 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nr3 n ILE 11 N -0.83 0.00 -0.40 3.15 5.41 -1.26 -3.67 119.36 121.76 1nr3 n ILE 11 Ca 0.00 0.00 0.32 0.00 1.00 0.00 0.00 62.75 64.07 1nr3 n ILE 11 Cb 0.00 -0.51 0.61 0.00 -0.71 0.00 0.00 39.64 39.03 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 h ALA 12 N 3.54 2.63 0.31 -1.39 0.00 -1.90 0.29 119.26 122.72 1nr3 h ALA 12 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nr3 h ALA 12 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1nr3 h ALA 12 CO 0.00 -1.14 -0.40 0.00 0.00 0.00 0.00 179.25 177.72 1nr3 h ARG 13 N 0.19 -0.72 -0.97 0.00 3.08 -1.90 0.52 114.38 114.57 1nr3 h ARG 13 Ca 0.71 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.87 1nr3 h ARG 13 Cb 2.18 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 32.33 1nr3 h ARG 13 CO -0.31 -0.48 0.63 1.49 -1.07 0.00 0.00 179.97 180.23 1nr3 h GLU 14 N -0.75 1.14 -0.75 0.04 4.81 -0.78 -0.81 114.58 117.47 1nr3 h GLU 14 Ca -0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1nr3 h GLU 14 Cb 0.70 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1nr3 h GLU 14 CO -0.12 0.75 0.38 -0.07 -0.73 0.00 0.00 179.01 179.23 1nr3 h LEU 15 N 1.17 0.97 -0.72 1.64 3.38 -0.51 -1.17 115.31 120.07 1nr3 h LEU 15 Ca 0.41 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.28 1nr3 h LEU 15 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1nr3 h LEU 15 CO -0.15 0.81 0.46 0.50 0.09 0.00 0.00 178.44 180.16 1nr3 h LYS 16 N 1.05 0.88 0.00 1.13 3.64 0.14 -0.20 116.57 123.21 1nr3 h LYS 16 Ca 0.26 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1nr3 h LYS 16 Cb 0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1nr3 h LYS 16 CO -0.04 0.58 -0.20 0.00 -2.27 0.00 0.00 179.45 177.52 1nr3 h THR 17 N 0.91 0.92 -3.45 1.00 1.03 -0.63 -3.41 112.91 109.28 1nr3 h THR 17 Ca 0.29 -0.75 -0.60 0.00 -0.01 0.00 0.00 66.41 65.33 1nr3 h THR 17 Cb -0.01 1.43 -0.11 0.00 -1.07 0.00 0.00 68.15 68.40 1nr3 h THR 17 CO -0.10 0.20 -0.17 0.28 -0.01 0.00 0.00 175.52 175.72 1nr3 s THR 18 N -4.33 5.18 0.00 0.00 -1.32 -0.09 -4.79 115.64 110.29 1nr3 s THR 18 Ca -0.03 0.77 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 1nr3 s THR 18 Cb 0.14 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 1nr3 s THR 18 CO 0.66 0.25 0.00 0.54 -2.21 0.00 0.00 174.62 173.86 1nr3 n ARG 19 N 4.41 0.00 -0.59 7.08 1.74 -1.26 -4.83 116.66 123.21 1nr3 n ARG 19 Ca -0.08 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.84 1nr3 n ARG 19 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.93 1nr3 n ARG 19 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1nr3 n GLN 20 N 0.00 1.61 -2.24 5.56 1.13 -1.26 -4.18 117.38 117.99 1nr3 n GLN 20 Ca 0.00 -1.16 -0.18 0.00 -1.94 0.00 0.00 57.00 53.72 1nr3 n GLN 20 Cb 0.00 -2.27 -0.02 0.00 0.11 0.00 0.00 30.24 28.06 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1nr3 n ASN 21 N 4.07 -5.13 -1.28 1.08 3.02 -1.26 -4.81 115.26 110.95 1nr3 n ASN 21 Ca 0.34 0.13 0.11 0.00 -0.03 0.00 0.00 54.58 55.14 1nr3 n ASN 21 Cb 0.16 -4.35 0.31 0.00 -0.61 0.00 0.00 39.78 35.28 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1nr3 n VAL 22 N -3.49 0.92 0.00 2.41 0.31 -1.26 -4.85 118.33 112.38 1nr3 n VAL 22 Ca -0.21 -0.93 0.00 0.00 -0.01 0.00 0.00 64.34 63.20 1nr3 n VAL 22 Cb 0.65 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 1nr3 n VAL 22 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nr3 n SER 23 N 1.54 0.00 -4.14 4.52 7.64 -1.26 -5.03 113.62 116.89 1nr3 n SER 23 Ca 0.23 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1nr3 n SER 23 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr3 n ALA 24 N 0.00 -2.44 0.14 -0.43 0.00 -1.26 -4.80 120.51 111.72 1nr3 n ALA 24 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 53.44 52.90 1nr3 n ALA 24 Cb 0.00 -2.08 0.13 0.00 0.00 0.00 0.00 19.45 17.50 1nr3 n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nr3 h ILE 25 N -2.36 1.18 -0.22 0.00 2.04 -1.97 -1.36 117.51 114.82 1nr3 h ILE 25 Ca -0.69 -2.24 -0.03 0.00 1.00 0.00 0.00 64.86 62.90 1nr3 h ILE 25 Cb 1.37 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 1nr3 h ILE 25 CO 0.55 0.58 0.02 1.05 0.00 0.00 0.00 178.15 180.35 1nr3 h GLU 26 N 0.00 0.38 0.09 2.37 -0.00 -1.98 0.37 114.58 115.81 1nr3 h GLU 26 Ca -0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.36 59.24 1nr3 h GLU 26 Cb 1.25 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1nr3 h GLU 26 CO 0.08 0.55 -0.05 0.00 -0.00 0.00 0.00 179.01 179.59 1nr3 h ARG 27 N 0.16 -0.12 -0.70 1.06 2.47 -1.93 -1.15 114.38 114.18 1nr3 h ARG 27 Ca 0.06 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.88 1nr3 h ARG 27 Cb 0.37 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.65 1nr3 h ARG 27 CO 0.01 0.38 0.35 -0.22 0.56 0.00 0.00 179.97 181.05 1nr3 h LYS 28 N -0.72 0.60 0.94 0.04 3.64 -1.29 0.68 116.57 120.46 1nr3 h LYS 28 Ca -0.01 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1nr3 h LYS 28 Cb 0.56 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1nr3 h LYS 28 CO 0.02 0.40 -0.46 0.00 -2.27 0.00 0.00 179.45 177.14 1nr3 h ALA 29 N 1.41 -1.34 0.00 5.00 0.00 -0.27 -1.59 119.26 122.47 1nr3 h ALA 29 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nr3 h ALA 29 Cb 0.33 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nr3 h ALA 29 CO -0.25 -1.25 0.00 -0.12 0.00 0.00 0.00 179.25 177.63 1nr3 n MET 30 N -5.42 0.03 -0.87 0.00 1.56 -0.44 -1.53 117.12 110.45 1nr3 n MET 30 Ca -0.16 0.48 -0.09 0.00 -0.27 0.00 0.00 57.70 57.66 1nr3 n MET 30 Cb 0.50 -1.58 -0.11 0.00 2.15 0.00 0.00 33.22 34.19 1nr3 n MET 30 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1nr3 n GLU 31 N -1.63 1.71 -2.51 2.12 1.02 0.23 -4.62 120.64 116.97 1nr3 n GLU 31 Ca 0.00 -0.77 -0.13 0.00 -0.02 0.00 0.00 57.16 56.24 1nr3 n GLU 31 Cb 0.04 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nr3 n ASN 32 N 2.07 -3.80 -4.44 1.62 3.02 -1.18 -4.87 115.26 107.68 1nr3 n ASN 32 Ca 0.30 0.17 -0.33 0.00 -0.03 0.00 0.00 54.58 54.69 1nr3 n ASN 32 Cb 0.77 -3.23 0.12 0.00 -0.61 0.00 0.00 39.78 36.83 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr3 n ILE 33 N -3.40 0.10 0.00 2.41 3.06 -0.58 -4.85 119.36 116.10 1nr3 n ILE 33 Ca -0.13 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 59.93 1nr3 n ILE 33 Cb 0.60 -0.66 0.00 0.00 0.54 0.00 0.00 39.64 40.13 1nr3 n ILE 33 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1nr3 n GLU 34 N -1.84 0.00 0.00 9.51 -0.58 -1.26 -5.02 120.64 121.45 1nr3 n GLU 34 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1nr3 n GLU 34 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1nr3 n GLU 34 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1nr3 n LYS 35 N -1.68 0.00 0.00 3.49 2.85 -1.26 -5.11 118.16 116.46 1nr3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1nr3 n LYS 35 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1nr3 n SER 36 N 0.00 0.00 0.00 -5.58 7.64 -1.26 -5.00 113.62 109.42 1nr3 n SER 36 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nr3 n SER 36 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nr3 n ARG 37 N -1.44 0.00 -1.73 1.43 1.74 -1.26 -4.93 116.66 110.47 1nr3 n ARG 37 Ca 0.00 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1nr3 n ARG 37 Cb 0.00 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1nr3 n ARG 37 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1nr3 n ASN 38 N -0.89 -1.54 0.00 0.55 3.02 -1.26 -4.99 115.26 110.15 1nr3 n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1nr3 n ASN 38 Cb 0.00 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1nr3 n THR 39 N -1.34 0.00 -0.32 3.41 -1.04 -1.26 -1.53 114.28 112.19 1nr3 n THR 39 Ca 0.00 0.20 0.36 0.00 -2.04 0.00 0.00 64.05 62.57 1nr3 n THR 39 Cb 0.38 -0.42 0.72 0.00 -1.82 0.00 0.00 70.33 69.20 1nr3 n THR 39 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1nr3 h LEU 40 N 0.00 0.00 0.44 -4.42 -0.00 -1.96 0.45 115.31 109.81 1nr3 h LEU 40 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1nr3 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1nr3 h LEU 40 CO 0.00 0.00 -0.21 -0.78 -0.00 0.00 0.00 178.44 177.45 1nr3 h ASP 41 N 0.00 -0.49 -0.97 0.17 3.58 -1.89 0.36 116.42 117.17 1nr3 h ASP 41 Ca 0.57 -0.10 0.24 0.00 0.42 0.00 0.00 57.03 58.16 1nr3 h ASP 41 Cb 2.48 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 43.58 1nr3 h ASP 41 CO -0.01 -0.12 0.65 0.15 -2.88 0.00 0.00 179.24 177.03 1nr3 h PHE 42 N -0.93 0.50 0.00 0.28 3.04 0.94 1.09 116.94 121.86 1nr3 h PHE 42 Ca -0.06 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 1nr3 h PHE 42 Cb 0.57 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1nr3 h PHE 42 CO 0.02 0.09 -0.55 -0.24 -2.02 0.00 0.00 178.31 175.60 1nr3 h VAL 43 N 0.34 0.40 -0.54 1.41 3.04 -1.17 -3.27 116.25 116.46 1nr3 h VAL 43 Ca 0.52 -1.61 -0.08 0.00 -1.01 0.00 0.00 66.70 64.52 1nr3 h VAL 43 Cb 1.41 2.09 -0.02 0.00 -2.01 0.00 0.00 31.29 32.76 1nr3 h VAL 43 CO -0.19 0.23 0.03 0.07 -1.01 0.00 0.00 177.57 176.70 1nr3 h LYS 44 N 0.00 0.93 -0.86 4.17 5.09 0.54 -2.81 116.57 123.63 1nr3 h LYS 44 Ca -0.03 -0.28 0.22 0.00 0.09 0.00 0.00 60.65 60.66 1nr3 h LYS 44 Cb 1.23 -0.09 -0.14 0.00 0.10 0.00 0.00 32.23 33.33 1nr3 h LYS 44 CO 0.03 0.93 0.20 1.03 -2.09 0.00 0.00 179.45 179.55 1nr3 h SER 45 N 0.80 -0.05 -0.88 7.07 0.87 -1.27 0.24 113.55 120.35 1nr3 h SER 45 Ca 0.16 0.20 0.19 0.00 -1.23 0.00 0.00 61.79 61.10 1nr3 h SER 45 Cb 0.49 0.27 -0.17 0.00 -0.44 0.00 0.00 62.40 62.56 1nr3 h SER 45 CO 0.02 -0.15 -0.17 0.18 -0.53 0.00 0.00 176.83 176.18 1nr3 n LEU 46 N -5.24 -0.27 -2.53 2.23 4.77 -1.06 -4.83 117.00 110.07 1nr3 n LEU 46 Ca 0.20 1.50 -0.05 0.00 -0.03 0.00 0.00 56.01 57.64 1nr3 n LEU 46 Cb 0.65 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1nr3 n LEU 46 CO 0.06 -1.46 0.12 0.29 -1.33 0.00 0.00 177.39 175.07 1nr3 n LYS 47 N -5.40 -1.12 -3.16 3.23 5.02 0.85 -5.00 118.16 112.58 1nr3 n LYS 47 Ca 0.15 0.82 -0.39 0.00 -2.02 0.00 0.00 58.31 56.88 1nr3 n LYS 47 Cb 0.49 -4.18 -0.06 0.00 -0.02 0.00 0.00 35.03 31.26 1nr3 n LYS 47 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nr3 s SER 48 N -2.94 7.10 0.25 4.39 0.15 -1.26 -4.51 113.70 116.88 1nr3 s SER 48 Ca 0.15 1.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.81 1nr3 s SER 48 Cb -0.02 -2.40 -0.09 0.00 -1.71 0.00 0.00 66.02 61.80 1nr3 s SER 48 CO 0.46 0.16 1.09 -2.16 1.20 0.00 0.00 173.24 174.00 1nr3 s PRO 49 N -0.62 4.64 0.00 5.44 0.04 -1.19 -4.35 135.00 138.95 1nr3 s PRO 49 Ca 0.32 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 1nr3 s PRO 49 Cb -0.20 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 1nr3 s PRO 49 CO 0.20 0.19 0.10 0.08 0.04 0.00 0.00 177.00 177.61 1nr3 s VAL 50 N -0.91 0.08 -0.10 -0.36 1.01 0.83 -4.97 120.40 115.98 1nr3 s VAL 50 Ca 0.46 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1nr3 s VAL 50 Cb -0.31 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 35.74 1nr3 s VAL 50 CO 0.39 -0.38 0.25 0.00 0.00 0.00 0.00 175.10 175.36 1nr3 s ARG 51 N -1.29 0.22 -0.05 2.72 3.03 -1.26 -0.42 118.95 121.89 1nr3 s ARG 51 Ca -0.14 0.50 -0.21 0.00 2.03 0.00 0.00 55.73 57.92 1nr3 s ARG 51 Cb -0.08 -0.07 0.04 0.00 -1.03 0.00 0.00 34.95 33.81 1nr3 s ARG 51 CO 0.01 -0.14 0.47 0.96 -1.13 0.00 0.00 175.30 175.47 1nr3 s ILE 52 N 1.07 0.03 0.05 4.99 -4.36 -0.56 -4.68 121.20 117.73 1nr3 s ILE 52 Ca -0.08 -0.24 -0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1nr3 s ILE 52 Cb -0.09 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 1nr3 s ILE 52 CO -0.07 -0.13 0.24 -0.22 0.24 0.00 0.00 174.94 175.00 1nr3 s LEU 53 N -1.03 4.35 -0.19 0.37 0.20 -1.26 -1.55 118.68 119.57 1nr3 s LEU 53 Ca -0.11 0.38 -0.03 0.00 0.69 0.00 0.00 54.13 55.06 1nr3 s LEU 53 Cb -0.03 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.80 1nr3 s LEU 53 CO 0.06 0.18 -0.06 0.00 -0.29 0.00 0.00 176.35 176.24 1nr3 n ARG 55 N 4.22 1.36 -1.63 0.00 5.12 -1.26 -1.72 116.66 122.75 1nr3 n ARG 55 Ca -0.18 -1.01 -0.51 0.00 -1.93 0.00 0.00 57.85 54.22 1nr3 n ARG 55 Cb 0.52 0.16 -0.05 0.00 -1.16 0.00 0.00 32.46 31.92 1nr3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nr3 n ARG 56 N -0.74 1.51 -0.31 5.56 1.74 -1.26 -4.66 116.66 118.50 1nr3 n ARG 56 Ca -0.02 0.54 0.27 0.00 -0.77 0.00 0.00 57.85 57.87 1nr3 n ARG 56 Cb 0.18 -2.24 0.60 0.00 -1.02 0.00 0.00 32.46 29.98 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nr3 h GLY 57 N 5.50 0.75 1.44 -0.13 0.00 -1.87 1.01 103.07 109.76 1nr3 h GLY 57 Ca -0.47 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 46.75 1nr3 h GLY 57 CO 0.84 -0.09 0.35 -1.80 0.00 0.00 0.00 176.54 175.84 1nr3 h ASP 58 N 0.24 0.57 -0.54 0.19 1.82 -1.93 0.99 116.42 117.76 1nr3 h ASP 58 Ca 0.57 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1nr3 h ASP 58 Cb 1.75 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1nr3 h ASP 58 CO -0.19 0.41 0.00 1.07 -1.61 0.00 0.00 179.24 178.92 1nr3 n THR 59 N -4.46 0.71 -0.29 2.25 5.66 0.33 -4.34 114.28 114.14 1nr3 n THR 59 Ca 0.05 -0.81 0.01 0.00 -3.05 0.00 0.00 64.05 60.25 1nr3 n THR 59 Cb 0.08 0.66 0.15 0.00 -1.55 0.00 0.00 70.33 69.67 1nr3 n THR 59 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1nr3 h LEU 60 N 4.09 0.71 -0.43 1.09 5.85 0.97 1.46 115.31 129.05 1nr3 h LEU 60 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1nr3 h LEU 60 Cb 0.92 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1nr3 h LEU 60 CO 0.00 0.44 0.04 -2.24 -0.34 0.00 0.00 178.44 176.34 1nr3 h ASP 61 N 0.84 -0.08 -0.11 1.25 3.04 -1.76 0.85 116.42 120.45 1nr3 h ASP 61 Ca 0.37 0.09 -0.24 0.00 -3.24 0.00 0.00 57.03 54.01 1nr3 h ASP 61 Cb 0.26 0.14 0.01 0.00 -1.04 0.00 0.00 39.33 38.70 1nr3 h ASP 61 CO -0.21 -0.01 -0.86 -0.08 -2.04 0.00 0.00 179.24 176.04 1nr3 h GLU 62 N 0.16 0.78 0.00 4.15 4.81 -1.50 -2.95 114.58 120.03 1nr3 h GLU 62 Ca 0.21 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1nr3 h GLU 62 Cb 0.29 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1nr3 h GLU 62 CO -0.32 1.28 -0.04 0.97 -0.73 0.00 0.00 179.01 180.18 1nr3 h ILE 63 N 0.50 0.46 -0.05 2.32 -0.00 0.28 -1.48 117.51 119.54 1nr3 h ILE 63 Ca -0.08 -0.19 -0.00 0.00 -0.00 0.00 0.00 64.86 64.59 1nr3 h ILE 63 Cb 1.50 1.13 -0.00 0.00 -0.00 0.00 0.00 36.82 39.45 1nr3 h ILE 63 CO 0.18 0.04 0.01 0.40 -0.00 0.00 0.00 178.15 178.78 1nr3 h ILE 64 N 0.00 1.18 -0.30 2.19 2.04 0.87 1.05 117.51 124.54 1nr3 h ILE 64 Ca -0.00 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 1nr3 h ILE 64 Cb 0.12 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1nr3 h ILE 64 CO 0.01 0.15 -0.13 0.07 0.00 0.00 0.00 178.15 178.25 1nr3 h LYS 65 N -0.13 0.51 -0.10 2.37 2.10 -1.37 0.27 116.57 120.22 1nr3 h LYS 65 Ca 0.02 -0.15 -0.18 0.00 -2.00 0.00 0.00 60.65 58.34 1nr3 h LYS 65 Cb 0.23 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1nr3 h LYS 65 CO -0.00 0.64 -0.68 0.00 -2.00 0.00 0.00 179.45 177.41 1nr3 h ARG 66 N 0.47 0.43 -0.13 0.07 2.47 -0.97 -3.04 114.38 113.68 1nr3 h ARG 66 Ca 0.09 -0.33 -0.12 0.00 -1.26 0.00 0.00 59.98 58.36 1nr3 h ARG 66 Cb 0.51 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1nr3 h ARG 66 CO 0.03 0.96 -0.37 -0.07 0.56 0.00 0.00 179.97 181.08 1nr3 h LEU 67 N 0.30 0.55 -0.78 3.04 3.38 0.16 -3.15 115.31 118.81 1nr3 h LEU 67 Ca -0.02 -0.59 0.18 0.00 0.09 0.00 0.00 57.88 57.54 1nr3 h LEU 67 Cb 1.25 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1nr3 h LEU 67 CO 0.12 1.04 0.13 0.17 0.09 0.00 0.00 178.44 179.99 1nr3 h LEU 68 N 0.08 -0.12 -2.16 1.67 8.10 -0.48 1.86 115.31 124.26 1nr3 h LEU 68 Ca -0.01 0.18 0.05 0.00 0.11 0.00 0.00 57.88 58.21 1nr3 h LEU 68 Cb 0.99 0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.47 1nr3 h LEU 68 CO 0.08 -0.12 0.29 -0.33 -4.11 0.00 0.00 178.44 174.25 1nr3 h GLU 69 N 0.19 0.00 0.08 0.17 5.08 -1.49 2.51 114.58 121.13 1nr3 h GLU 69 Ca 0.45 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.44 1nr3 h GLU 69 Cb 0.82 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1nr3 h GLU 69 CO -0.61 0.00 -2.11 0.39 -1.00 0.00 0.00 179.01 175.68 1nr3 n GLU 70 N -3.47 0.71 -0.02 2.33 -0.58 0.59 -4.00 120.64 116.20 1nr3 n GLU 70 Ca 0.02 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nr3 n GLU 70 Cb 0.40 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1nr3 n GLU 70 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1nr3 h SER 71 N -0.04 0.00 -1.94 1.62 0.02 0.14 -3.36 113.55 109.99 1nr3 h SER 71 Ca -0.47 0.00 0.56 0.00 -0.84 0.00 0.00 61.79 61.04 1nr3 h SER 71 Cb 1.95 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.41 1nr3 h SER 71 CO 0.01 0.23 1.41 -3.20 -1.14 0.00 0.00 176.83 174.14 1nr3 n ASN 72 N -2.98 0.00 0.12 3.07 2.85 0.83 0.18 115.26 119.34 1nr3 n ASN 72 Ca -0.02 0.98 -0.13 0.00 -0.11 0.00 0.00 54.58 55.30 1nr3 n ASN 72 Cb 0.08 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1nr3 h LYS 73 N 0.00 -0.38 -0.09 1.20 1.79 -1.55 -0.77 116.57 116.77 1nr3 h LYS 73 Ca 0.92 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.42 1nr3 h LYS 73 Cb 3.74 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 34.47 1nr3 h LYS 73 CO -0.01 -0.26 0.00 -0.85 -1.08 0.00 0.00 179.45 177.26 1nr3 n GLU 74 N -5.33 1.45 -2.76 3.15 -0.00 0.49 -4.86 120.64 112.78 1nr3 n GLU 74 Ca -0.07 -0.67 -0.09 0.00 -0.00 0.00 0.00 57.16 56.33 1nr3 n GLU 74 Cb 0.24 -1.37 -0.02 0.00 -0.00 0.00 0.00 31.44 30.29 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nr3 n GLY 75 N 1.01 3.98 3.94 -1.84 0.00 0.05 -5.10 105.19 107.23 1nr3 n GLY 75 Ca 0.16 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1nr3 n GLY 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nr3 s ILE 76 N -1.64 4.03 -0.70 -0.61 -1.16 -1.25 -4.79 121.20 115.07 1nr3 s ILE 76 Ca 0.01 -0.30 -0.26 0.00 -0.51 0.00 0.00 60.65 59.60 1nr3 s ILE 76 Cb 0.00 -3.52 -0.14 0.00 0.61 0.00 0.00 42.46 39.41 1nr3 s ILE 76 CO 0.01 -0.42 2.46 1.41 -2.81 0.00 0.00 174.94 175.59 1nr3 n HIS 77 N -2.22 1.06 -4.08 3.50 8.25 -1.26 -4.81 115.22 115.67 1nr3 n HIS 77 Ca 0.02 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1nr3 n HIS 77 Cb 0.57 -2.40 -0.13 0.00 1.12 0.00 0.00 29.99 29.16 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nr3 s VAL 78 N 11.00 0.42 -0.62 1.59 1.01 -1.26 -5.05 120.40 127.50 1nr3 s VAL 78 Ca 1.09 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1nr3 s VAL 78 Cb -0.47 -0.44 0.39 0.00 0.00 0.00 0.00 36.38 35.86 1nr3 s VAL 78 CO 0.31 -0.19 1.54 2.30 0.00 0.00 0.00 175.10 179.05 1nr3 n ILE 79 N 2.12 2.94 -2.90 2.22 -5.35 -1.26 -4.90 119.36 112.23 1nr3 n ILE 79 Ca -0.19 -4.58 -0.31 0.00 -0.27 0.00 0.00 62.75 57.40 1nr3 n ILE 79 Cb 0.56 -1.25 -0.04 0.00 -1.74 0.00 0.00 39.64 37.17 1nr3 n ILE 79 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1nr3 s HIS 80 N -3.78 3.44 0.37 4.28 -3.43 -1.26 -4.53 115.29 110.38 1nr3 s HIS 80 Ca 0.50 1.11 0.08 0.00 -0.80 0.00 0.00 55.06 55.96 1nr3 s HIS 80 Cb 0.42 -2.49 -0.05 0.00 -1.43 0.00 0.00 32.58 29.04 1nr3 s HIS 80 CO -0.28 -0.07 0.15 0.16 -2.00 0.00 0.00 174.74 172.70 1nr3 s ASP 81 N -2.93 4.52 0.59 7.38 1.47 -1.26 -4.83 116.67 121.61 1nr3 s ASP 81 Ca 0.52 -0.92 0.29 0.00 1.18 0.00 0.00 52.55 53.62 1nr3 s ASP 81 Cb -0.10 -0.59 1.53 0.00 -0.34 0.00 0.00 42.92 43.42 1nr3 s ASP 81 CO 0.28 -0.40 1.96 0.28 0.68 0.00 0.00 175.17 177.97 1nr3 h SER 82 N 1.51 0.00 -0.07 2.11 0.02 -1.91 1.92 113.55 117.14 1nr3 h SER 82 Ca -0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 1nr3 h SER 82 Cb 1.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.80 1nr3 h SER 82 CO 0.66 0.00 -0.40 0.40 -1.14 0.00 0.00 176.83 176.35 1nr3 h ILE 83 N 0.00 1.41 0.04 3.27 2.04 -1.94 -2.69 117.51 119.64 1nr3 h ILE 83 Ca 0.17 -1.80 -0.22 0.00 1.00 0.00 0.00 64.86 64.01 1nr3 h ILE 83 Cb 0.95 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1nr3 h ILE 83 CO -0.00 0.52 -1.02 0.74 0.00 0.00 0.00 178.15 178.40 1nr3 h THR 84 N -0.09 1.58 -0.58 -0.27 2.02 -0.97 -3.02 112.91 111.57 1nr3 h THR 84 Ca -0.03 -3.02 0.04 0.00 0.77 0.00 0.00 66.41 64.17 1nr3 h THR 84 Cb 1.06 2.73 -0.04 0.00 -1.74 0.00 0.00 68.15 70.15 1nr3 h THR 84 CO 0.08 0.87 0.33 -0.07 0.37 0.00 0.00 175.52 177.10 1nr3 h LEU 85 N 0.06 0.50 -0.89 2.58 4.07 0.28 1.85 115.31 123.75 1nr3 h LEU 85 Ca -0.06 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1nr3 h LEU 85 Cb 1.72 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 43.35 1nr3 h LEU 85 CO 0.15 0.34 0.00 0.00 -1.08 0.00 0.00 178.44 177.85 1nr3 h ALA 86 N 1.28 1.08 0.01 1.53 0.00 -1.51 0.78 119.26 122.43 1nr3 h ALA 86 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nr3 h ALA 86 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nr3 h ALA 86 CO -0.14 0.58 -0.00 0.35 0.00 0.00 0.00 179.25 180.04 1nr3 h PHE 87 N 0.76 -0.01 -0.51 0.00 3.04 -1.05 0.57 116.94 119.74 1nr3 h PHE 87 Ca 0.15 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 1nr3 h PHE 87 Cb 0.46 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1nr3 h PHE 87 CO 0.03 0.60 0.05 -0.07 -2.02 0.00 0.00 178.31 176.90 1nr3 h LEU 88 N -0.64 0.78 -0.01 0.59 4.07 0.29 -2.92 115.31 117.47 1nr3 h LEU 88 Ca -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1nr3 h LEU 88 Cb 0.62 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1nr3 h LEU 88 CO 0.00 0.81 -0.03 0.40 -1.08 0.00 0.00 178.44 178.54 1nr3 h ILE 89 N 0.78 1.46 -0.97 1.22 2.04 0.56 -3.14 117.51 119.46 1nr3 h ILE 89 Ca 0.16 -1.40 0.41 0.00 1.00 0.00 0.00 64.86 65.02 1nr3 h ILE 89 Cb 0.39 2.37 -0.17 0.00 -0.74 0.00 0.00 36.82 38.67 1nr3 h ILE 89 CO 0.01 0.37 0.53 0.54 0.00 0.00 0.00 178.15 179.60 1nr3 n ARG 90 N -4.76 -0.06 -0.17 2.37 1.74 0.20 0.25 116.66 116.23 1nr3 n ARG 90 Ca -0.09 1.33 -0.09 0.00 -0.77 0.00 0.00 57.85 58.24 1nr3 n ARG 90 Cb 0.31 -2.40 0.01 0.00 -1.02 0.00 0.00 32.46 29.36 1nr3 n ARG 90 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nr3 h GLU 91 N 0.00 0.74 -0.01 5.56 4.39 -1.47 1.59 114.58 125.38 1nr3 h GLU 91 Ca 0.82 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.37 1nr3 h GLU 91 Cb 2.18 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1nr3 h GLU 91 CO -0.74 0.70 -0.04 0.36 -1.16 0.00 0.00 179.01 178.12 1nr3 n LYS 92 N -4.52 1.42 -2.71 2.33 2.85 0.69 -4.48 118.16 113.73 1nr3 n LYS 92 Ca 0.01 -0.75 -0.04 0.00 -1.05 0.00 0.00 58.31 56.49 1nr3 n LYS 92 Cb 0.19 -1.48 0.03 0.00 -0.65 0.00 0.00 35.03 33.11 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 n ALA 93 N -0.14 -2.94 1.63 0.58 0.00 0.69 -4.91 120.51 115.42 1nr3 n ALA 93 Ca 0.18 -0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1nr3 n ALA 93 Cb 0.32 -2.51 0.78 0.00 0.00 0.00 0.00 19.45 18.05 1nr3 n ALA 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nr3 n SER 94 N 2.66 0.00 0.00 0.00 3.41 0.53 -3.72 113.62 116.50 1nr3 n SER 94 Ca 0.14 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1nr3 n SER 94 Cb 0.61 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nr3 n HIS 95 N -1.02 0.00 -3.30 7.33 8.25 -1.26 -4.89 115.22 120.33 1nr3 n HIS 95 Ca 0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 1nr3 n HIS 95 Cb 0.10 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 1nr3 n HIS 95 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nr3 s ARG 96 N 0.11 3.50 0.44 -0.41 0.52 -1.25 -5.05 118.95 116.81 1nr3 s ARG 96 Ca 0.00 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1nr3 s ARG 96 Cb 0.00 -3.84 -0.06 0.00 0.52 0.00 0.00 34.95 31.57 1nr3 s ARG 96 CO 0.00 -0.66 0.03 0.42 0.02 0.00 0.00 175.30 175.11 1nr3 s ILE 97 N 2.25 1.77 -0.16 1.52 1.09 -1.26 -4.82 121.20 121.59 1nr3 s ILE 97 Ca 0.16 -1.97 -0.12 0.00 -1.10 0.00 0.00 60.65 57.62 1nr3 s ILE 97 Cb -0.16 -2.74 -0.05 0.00 -1.06 0.00 0.00 42.46 38.45 1nr3 s ILE 97 CO 0.13 0.00 0.24 0.54 -0.10 0.00 0.00 174.94 175.75 1nr3 s VAL 98 N -2.75 5.34 0.39 2.92 0.11 -1.26 -5.09 120.40 120.06 1nr3 s VAL 98 Ca 0.27 0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.81 1nr3 s VAL 98 Cb 0.07 -3.57 0.06 0.00 -1.53 0.00 0.00 36.38 31.40 1nr3 s VAL 98 CO 0.14 0.43 0.47 1.57 -3.33 0.00 0.00 175.10 174.38 1nr3 n HIS 99 N 3.37 -2.09 -3.44 1.54 -0.00 -1.26 -4.47 115.22 108.87 1nr3 n HIS 99 Ca -0.14 -1.47 -0.14 0.00 0.46 0.00 0.00 57.72 56.43 1nr3 n HIS 99 Cb 0.52 -0.36 -0.11 0.00 -0.12 0.00 0.00 29.99 29.93 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1nr3 s ARG 100 N -3.72 0.26 0.09 1.57 1.04 -1.26 -4.95 118.95 111.97 1nr3 s ARG 100 Ca 0.36 0.39 0.04 0.00 -1.04 0.00 0.00 55.73 55.48 1nr3 s ARG 100 Cb -0.03 -0.80 -0.04 0.00 -2.04 0.00 0.00 34.95 32.04 1nr3 s ARG 100 CO 0.23 -0.62 0.06 0.54 -0.04 0.00 0.00 175.30 175.46 1nr3 s VAL 101 N 2.43 4.37 -0.56 4.99 0.11 -1.26 -4.95 120.40 125.53 1nr3 s VAL 101 Ca 0.09 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1nr3 s VAL 101 Cb -0.15 -3.11 0.14 0.00 -1.53 0.00 0.00 36.38 31.73 1nr3 s VAL 101 CO -0.13 0.11 0.32 0.54 -3.33 0.00 0.00 175.10 172.61 1nr3 s VAL 102 N -1.39 2.54 0.00 2.04 0.11 -1.26 -3.58 120.40 118.87 1nr3 s VAL 102 Ca 0.28 -3.51 0.00 0.00 -2.93 0.00 0.00 61.98 55.82 1nr3 s VAL 102 Cb -0.12 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 1nr3 s VAL 102 CO 0.21 -0.87 0.00 1.17 -3.33 0.00 0.00 175.10 172.28 1nr3 n LYS 103 N 2.83 0.00 -4.36 1.54 4.81 -1.26 -4.79 118.16 116.92 1nr3 n LYS 103 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.33 1nr3 n LYS 103 Cb 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.30 1nr3 n LYS 103 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1nr3 s SER 104 N -1.23 1.83 -0.11 3.14 1.04 -1.26 -5.03 113.70 112.08 1nr3 s SER 104 Ca 0.00 -1.63 -0.14 0.00 0.48 0.00 0.00 55.95 54.66 1nr3 s SER 104 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1nr3 s SER 104 CO 0.00 -0.94 0.32 -0.62 0.98 0.00 0.00 173.24 172.98 1nr3 s ASP 105 N -3.42 6.55 -0.08 7.02 -1.08 -1.26 -4.49 116.67 119.91 1nr3 s ASP 105 Ca 0.34 0.65 -0.05 0.00 -0.52 0.00 0.00 52.55 52.97 1nr3 s ASP 105 Cb 0.04 -2.20 0.03 0.00 -1.46 0.00 0.00 42.92 39.33 1nr3 s ASP 105 CO 0.19 0.19 0.20 0.12 0.52 0.00 0.00 175.17 176.39 1nr3 s PHE 106 N -0.13 -0.23 -0.01 -5.34 2.19 -0.70 -4.30 117.98 109.46 1nr3 s PHE 106 Ca 0.19 0.59 0.01 0.00 0.33 0.00 0.00 56.93 58.04 1nr3 s PHE 106 Cb -0.14 0.03 -0.04 0.00 -1.31 0.00 0.00 43.02 41.56 1nr3 s PHE 106 CO 0.07 -0.15 0.03 -1.21 1.83 0.00 0.00 175.22 175.78 1nr3 s GLU 107 N 0.67 2.89 -0.01 10.12 2.02 0.30 0.90 118.70 135.58 1nr3 s GLU 107 Ca -0.05 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1nr3 s GLU 107 Cb -0.06 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1nr3 s GLU 107 CO -0.04 0.64 -0.04 0.42 0.02 0.00 0.00 175.26 176.26 1nr3 s ILE 108 N -1.11 0.34 -0.01 -1.63 1.09 -0.60 -1.80 121.20 117.48 1nr3 s ILE 108 Ca 0.20 -0.14 -0.17 0.00 -1.10 0.00 0.00 60.65 59.45 1nr3 s ILE 108 Cb -0.12 -0.32 0.03 0.00 -1.06 0.00 0.00 42.46 41.00 1nr3 s ILE 108 CO 0.11 0.12 0.36 -0.83 -0.10 0.00 0.00 174.94 174.59 1nr3 s GLY 109 N 0.17 -0.20 0.05 6.18 0.00 0.11 -1.50 107.32 112.12 1nr3 s GLY 109 Ca -0.02 0.43 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 1nr3 s GLY 109 CO -0.00 0.20 0.01 0.14 0.00 0.00 0.00 173.10 173.44 1nr3 s VAL 110 N -1.40 0.19 -0.01 1.40 1.01 0.44 0.93 120.40 122.95 1nr3 s VAL 110 Ca -0.13 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.34 1nr3 s VAL 110 Cb -0.04 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 1nr3 s VAL 110 CO 0.04 -0.86 0.08 0.35 0.00 0.00 0.00 175.10 174.72 1nr3 n THR 111 N 0.34 0.04 0.07 3.92 -2.24 -1.25 -0.12 114.28 115.04 1nr3 n THR 111 Ca -0.16 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1nr3 n THR 111 Cb 0.60 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1nr3 n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nr3 n ARG 112 N -1.72 0.00 0.00 -0.78 1.74 -1.26 -3.20 116.66 111.44 1nr3 n ARG 112 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1nr3 n ARG 112 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 1nr3 n ARG 112 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nr3 n ASP 113 N -2.96 0.00 -0.00 0.55 10.43 -1.26 -4.54 116.55 118.77 1nr3 n ASP 113 Ca 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.36 1nr3 n ASP 113 Cb 0.00 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 42.96 1nr3 n ASP 113 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1nr3 h GLY 114 N 0.00 -0.01 -4.70 0.44 0.00 -1.97 -3.33 103.07 93.50 1nr3 h GLY 114 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 1nr3 h GLY 114 CO 0.00 -0.00 0.07 -0.54 0.00 0.00 0.00 176.54 176.07 1nr3 s GLU 115 N -1.16 4.40 0.39 4.80 2.02 -1.26 -4.57 118.70 123.33 1nr3 s GLU 115 Ca -0.00 0.90 0.05 0.00 0.02 0.00 0.00 54.97 55.93 1nr3 s GLU 115 Cb 0.00 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 1nr3 s GLU 115 CO 0.00 0.36 0.04 0.96 0.02 0.00 0.00 175.26 176.64 1nr3 s ILE 116 N -0.23 1.40 -0.00 -1.63 -5.25 -1.26 -3.87 121.20 110.36 1nr3 s ILE 116 Ca 0.34 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 58.03 1nr3 s ILE 116 Cb -0.19 -2.73 -0.01 0.00 2.95 0.00 0.00 42.46 42.48 1nr3 s ILE 116 CO 0.20 0.00 -0.09 0.27 -1.79 0.00 0.00 174.94 173.53 1nr3 s ILE 117 N -3.02 0.71 0.15 8.37 -4.36 0.26 -4.95 121.20 118.37 1nr3 s ILE 117 Ca 0.30 -0.41 0.09 0.00 -0.26 0.00 0.00 60.65 60.37 1nr3 s ILE 117 Cb 0.08 -0.60 -0.04 0.00 1.25 0.00 0.00 42.46 43.14 1nr3 s ILE 117 CO 0.15 0.18 -0.20 0.68 0.24 0.00 0.00 174.94 175.99 1nr3 s VAL 118 N -0.25 1.88 -0.30 8.37 -7.23 -1.25 -0.71 120.40 120.90 1nr3 s VAL 118 Ca 0.03 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 1nr3 s VAL 118 Cb -0.04 -1.81 0.17 0.00 0.56 0.00 0.00 36.38 35.27 1nr3 s VAL 118 CO -0.00 -0.20 0.91 -0.62 -0.31 0.00 0.00 175.10 174.88 1nr3 s ASP 119 N -2.43 -0.74 -0.16 4.85 -1.08 -0.74 -4.91 116.67 111.45 1nr3 s ASP 119 Ca 0.14 0.64 -0.06 0.00 -0.52 0.00 0.00 52.55 52.75 1nr3 s ASP 119 Cb -0.07 1.69 -0.18 0.00 -1.46 0.00 0.00 42.92 42.90 1nr3 s ASP 119 CO 0.06 -0.14 3.39 0.18 0.52 0.00 0.00 175.17 179.18 1nr3 n LEU 120 N 5.32 5.65 -4.42 -1.34 4.32 -1.26 0.11 117.00 125.37 1nr3 n LEU 120 Ca -0.06 -3.45 -0.38 0.00 -0.02 0.00 0.00 56.01 52.10 1nr3 n LEU 120 Cb 0.52 -1.37 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 1nr3 n LEU 120 CO -0.05 1.72 -0.27 -3.20 -1.22 0.00 0.00 177.39 174.36 1nr3 n ASN 121 N 2.10 -0.79 0.00 -1.43 5.15 -1.26 -4.82 115.26 114.20 1nr3 n ASN 121 Ca 0.45 -1.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1nr3 n ASN 121 Cb 0.81 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42