#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr3 s ARG 2 N 0.00 0.18 -0.20 2.12 1.70 -1.26 -5.14 118.95 116.35 1nr3 s ARG 2 Ca 0.00 -0.28 -0.06 0.00 -0.47 0.00 0.00 55.73 54.92 1nr3 s ARG 2 Cb 0.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 1nr3 s ARG 2 CO 0.00 -0.00 0.04 -1.21 -1.08 0.00 0.00 175.30 173.05 1nr3 s GLU 3 N -0.61 3.75 0.00 3.89 2.02 -1.26 -5.03 118.70 121.46 1nr3 s GLU 3 Ca -0.06 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1nr3 s GLU 3 Cb -0.04 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1nr3 s GLU 3 CO -0.00 0.06 0.00 -2.13 0.02 0.00 0.00 175.26 173.21 1nr3 n ARG 4 N 4.15 0.00 0.00 1.61 0.63 -1.26 -5.00 116.66 116.78 1nr3 n ARG 4 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1nr3 n ARG 4 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nr3 n GLY 5 N -0.56 0.35 2.66 5.14 0.00 -1.26 -2.91 105.19 108.60 1nr3 n GLY 5 Ca 0.00 0.64 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 2.75 -0.06 1.61 4.27 -1.26 -4.50 117.44 120.24 1nr3 n TRP 6 Ca 0.00 -2.54 -0.21 0.00 -3.89 0.00 0.00 57.50 50.85 1nr3 n TRP 6 Cb 0.00 -1.28 -0.13 0.00 -1.36 0.00 0.00 31.31 28.54 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1nr3 n SER 7 N 0.12 2.03 0.00 -0.67 2.88 -1.15 -4.91 113.62 111.92 1nr3 n SER 7 Ca 0.50 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1nr3 n SER 7 Cb 0.26 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nr3 n GLN 8 N -3.65 0.00 0.00 -1.46 7.27 -1.26 -4.97 117.38 113.30 1nr3 n GLN 8 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.69 1nr3 n GLN 8 Cb 0.96 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.61 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nr3 n LYS 9 N 0.00 0.00 0.01 3.69 4.76 -1.26 -5.06 118.16 120.30 1nr3 n LYS 9 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1nr3 n LYS 9 Cb 0.00 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.61 0.00 0.00 1.97 0.00 -1.26 -4.90 118.16 113.36 1nr3 n LYS 10 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.42 1nr3 n LYS 10 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 35.03 35.68 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 -1.98 0.10 -0.32 3.15 5.41 -1.26 -3.51 119.36 120.96 1nr3 n ILE 11 Ca 0.00 0.03 0.17 0.00 1.00 0.00 0.00 62.75 63.94 1nr3 n ILE 11 Cb 0.00 -0.66 0.36 0.00 -0.71 0.00 0.00 39.64 38.63 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 3.33 1.57 0.14 -1.39 0.00 -1.95 0.27 119.26 121.22 1nr3 h ALA 12 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nr3 h ALA 12 Cb 0.07 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nr3 h ALA 12 CO 0.00 -0.45 -0.22 0.07 0.00 0.00 0.00 179.25 178.65 1nr3 h ARG 13 N 0.33 -0.41 -0.71 0.00 0.11 -1.98 -0.66 114.38 111.06 1nr3 h ARG 13 Ca 0.62 0.03 0.10 0.00 0.10 0.00 0.00 59.98 60.83 1nr3 h ARG 13 Cb 1.28 0.09 -0.05 0.00 1.11 0.00 0.00 29.97 32.41 1nr3 h ARG 13 CO -0.59 -0.27 0.47 1.49 0.10 0.00 0.00 179.97 181.16 1nr3 h GLU 14 N -0.42 0.54 0.59 0.08 4.81 -0.83 -1.46 114.58 117.89 1nr3 h GLU 14 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1nr3 h GLU 14 Cb 0.43 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1nr3 h GLU 14 CO -0.10 0.36 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.18 1nr3 h LEU 15 N 0.56 -0.67 -1.80 1.64 4.07 0.08 1.06 115.31 120.25 1nr3 h LEU 15 Ca 0.33 -0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.50 1nr3 h LEU 15 Cb 0.53 0.17 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 1nr3 h LEU 15 CO -0.11 -0.43 0.58 0.50 -1.08 0.00 0.00 178.44 177.90 1nr3 h LYS 16 N -0.86 0.16 0.00 1.13 3.11 -0.37 0.72 116.57 120.47 1nr3 h LYS 16 Ca -0.08 -0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 57.58 1nr3 h LYS 16 Cb 0.63 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1nr3 h LYS 16 CO 0.13 0.11 -0.95 1.15 -2.81 0.00 0.00 179.45 177.08 1nr3 h THR 17 N 0.17 1.10 -3.20 1.00 2.02 -0.53 -3.47 112.91 110.00 1nr3 h THR 17 Ca 0.41 -2.66 -0.16 0.00 0.77 0.00 0.00 66.41 64.77 1nr3 h THR 17 Cb 1.35 2.51 0.05 0.00 -1.74 0.00 0.00 68.15 70.33 1nr3 h THR 17 CO -0.07 0.63 0.11 1.07 0.37 0.00 0.00 175.52 177.63 1nr3 n THR 18 N -3.20 0.00 -1.02 3.16 5.66 0.36 -4.44 114.28 114.80 1nr3 n THR 18 Ca -0.03 -0.44 -0.01 0.00 -3.05 0.00 0.00 64.05 60.52 1nr3 n THR 18 Cb 0.86 -1.59 -0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1nr3 n THR 18 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1nr3 n ARG 19 N -1.91 -0.21 -3.58 1.09 0.63 -1.26 -3.85 116.66 107.57 1nr3 n ARG 19 Ca 0.06 0.22 -0.29 0.00 -0.92 0.00 0.00 57.85 56.92 1nr3 n ARG 19 Cb 0.22 -3.52 -0.06 0.00 0.45 0.00 0.00 32.46 29.55 1nr3 n ARG 19 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1nr3 n GLN 20 N -2.66 -0.81 -2.18 -0.14 1.13 -1.26 0.31 117.38 111.77 1nr3 n GLN 20 Ca -0.01 0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 55.13 1nr3 n GLN 20 Cb 0.06 -3.18 -0.00 0.00 0.11 0.00 0.00 30.24 27.24 1nr3 n GLN 20 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1nr3 n ASN 21 N -1.44 -1.21 -0.49 1.08 5.15 -1.25 -4.66 115.26 112.44 1nr3 n ASN 21 Ca 0.07 0.37 0.12 0.00 -0.60 0.00 0.00 54.58 54.53 1nr3 n ASN 21 Cb 0.31 -1.23 0.14 0.00 -0.53 0.00 0.00 39.78 38.47 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1nr3 n VAL 22 N -2.30 0.00 0.00 3.44 3.14 0.91 -4.83 118.33 118.69 1nr3 n VAL 22 Ca -0.02 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1nr3 n VAL 22 Cb 0.42 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 1nr3 n VAL 22 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1nr3 n SER 23 N 0.00 0.00 -3.62 6.55 2.88 -1.18 -5.06 113.62 113.19 1nr3 n SER 23 Ca 0.11 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.42 1nr3 n SER 23 Cb 0.45 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nr3 n ALA 24 N -1.27 -2.29 -0.09 -1.46 0.00 -1.26 -4.22 120.51 109.91 1nr3 n ALA 24 Ca 0.00 -0.28 0.25 0.00 0.00 0.00 0.00 53.44 53.42 1nr3 n ALA 24 Cb 0.00 -0.91 0.57 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.31 0.15 -0.57 0.00 2.04 -1.97 1.59 117.51 118.44 1nr3 h ILE 25 Ca -0.49 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1nr3 h ILE 25 Cb 1.04 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1nr3 h ILE 25 CO 0.30 0.00 0.07 1.05 0.00 0.00 0.00 178.15 179.58 1nr3 h GLU 26 N 0.00 0.96 0.00 2.37 9.09 -1.97 0.47 114.58 125.50 1nr3 h GLU 26 Ca 0.37 -0.27 -0.01 0.00 0.05 0.00 0.00 59.36 59.51 1nr3 h GLU 26 Cb 2.18 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 29.17 1nr3 h GLU 26 CO -0.00 0.92 -0.03 0.00 0.05 0.00 0.00 179.01 179.95 1nr3 h ARG 27 N 0.85 0.02 -0.96 1.06 3.08 0.20 -1.61 114.38 117.02 1nr3 h ARG 27 Ca 0.17 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1nr3 h ARG 27 Cb 0.44 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1nr3 h ARG 27 CO 0.01 0.82 0.63 0.87 -1.07 0.00 0.00 179.97 181.23 1nr3 h LYS 28 N -0.78 1.14 0.71 0.04 1.79 -1.24 0.49 116.57 118.72 1nr3 h LYS 28 Ca -0.00 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1nr3 h LYS 28 Cb 0.83 -0.26 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1nr3 h LYS 28 CO 0.01 0.76 -0.34 0.00 -1.08 0.00 0.00 179.45 178.79 1nr3 h ALA 29 N 1.45 -1.03 0.00 3.86 0.00 -0.10 -2.55 119.26 120.89 1nr3 h ALA 29 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nr3 h ALA 29 Cb 0.06 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nr3 h ALA 29 CO -0.13 -0.96 0.00 -1.33 0.00 0.00 0.00 179.25 176.83 1nr3 n MET 30 N -5.12 0.06 -0.81 0.00 2.81 -0.61 -1.42 117.12 112.04 1nr3 n MET 30 Ca -0.12 0.53 -0.08 0.00 -1.81 0.00 0.00 57.70 56.23 1nr3 n MET 30 Cb 0.37 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 31.10 1nr3 n MET 30 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1nr3 n GLU 31 N -1.79 1.62 -3.29 0.03 1.02 0.17 -4.62 120.64 113.77 1nr3 n GLU 31 Ca -0.00 -0.63 -0.23 0.00 -0.02 0.00 0.00 57.16 56.28 1nr3 n GLU 31 Cb 0.03 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 2.15 -4.02 -3.74 1.62 4.13 -1.17 -4.91 115.26 109.33 1nr3 n ASN 32 Ca 0.27 -0.36 -0.30 0.00 1.68 0.00 0.00 54.58 55.88 1nr3 n ASN 32 Cb 0.76 -3.31 0.28 0.00 -1.54 0.00 0.00 39.78 35.97 1nr3 n ASN 32 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1nr3 s ILE 33 N -2.95 1.43 0.00 2.41 2.07 -0.50 -4.20 121.20 119.45 1nr3 s ILE 33 Ca 0.37 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1nr3 s ILE 33 Cb -0.19 -2.02 0.00 0.00 0.13 0.00 0.00 42.46 40.37 1nr3 s ILE 33 CO 0.46 0.00 0.00 1.21 -1.91 0.00 0.00 174.94 174.70 1nr3 n GLU 34 N -5.52 0.00 -0.19 3.50 0.00 -1.26 -4.92 120.64 112.24 1nr3 n GLU 34 Ca 0.09 0.34 0.05 0.00 0.00 0.00 0.00 57.16 57.65 1nr3 n GLU 34 Cb 0.58 -2.75 0.15 0.00 0.00 0.00 0.00 31.44 29.42 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1nr3 n LYS 35 N -2.69 2.82 -1.13 5.31 5.02 -1.26 -4.98 118.16 121.25 1nr3 n LYS 35 Ca 0.00 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1nr3 n LYS 35 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nr3 n SER 36 N 0.03 -1.51 -0.07 4.39 7.64 -1.26 -5.03 113.62 117.81 1nr3 n SER 36 Ca 0.12 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1nr3 n SER 36 Cb 0.50 -0.76 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.61 0.68 -1.25 1.43 5.12 -1.26 -4.95 116.66 115.81 1nr3 n ARG 37 Ca 0.00 0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 55.99 1nr3 n ARG 37 Cb 0.23 -1.62 -0.04 0.00 -1.16 0.00 0.00 32.46 29.87 1nr3 n ARG 37 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nr3 n ASN 38 N -3.07 -5.61 0.00 0.55 3.02 -1.26 -4.87 115.26 104.02 1nr3 n ASN 38 Ca -0.32 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1nr3 n ASN 38 Cb 1.07 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.23 0.00 -0.21 3.41 -1.04 -1.26 -1.47 114.28 111.48 1nr3 n THR 39 Ca -0.09 0.22 0.31 0.00 -2.04 0.00 0.00 64.05 62.45 1nr3 n THR 39 Cb 0.55 -0.45 0.69 0.00 -1.82 0.00 0.00 70.33 69.30 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 0.54 -4.42 -0.00 -1.97 0.28 115.31 109.74 1nr3 h LEU 40 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1nr3 h LEU 40 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1nr3 h LEU 40 CO 0.00 0.00 -0.26 -0.78 -0.00 0.00 0.00 178.44 177.40 1nr3 h ASP 41 N 0.00 -0.61 -0.81 0.17 3.58 -1.92 0.44 116.42 117.27 1nr3 h ASP 41 Ca 0.47 -0.04 0.22 0.00 0.42 0.00 0.00 57.03 58.09 1nr3 h ASP 41 Cb 2.16 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 43.33 1nr3 h ASP 41 CO -0.00 -0.23 0.57 0.15 -2.88 0.00 0.00 179.24 176.85 1nr3 h PHE 42 N -1.08 0.15 0.00 0.28 3.57 0.64 0.84 116.94 121.34 1nr3 h PHE 42 Ca -0.07 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1nr3 h PHE 42 Cb 0.62 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1nr3 h PHE 42 CO 0.01 0.04 -0.84 0.28 -2.23 0.00 0.00 178.31 175.57 1nr3 h VAL 43 N 0.11 0.70 -0.31 1.41 2.07 -1.10 -3.31 116.25 115.83 1nr3 h VAL 43 Ca 0.39 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1nr3 h VAL 43 Cb 1.39 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1nr3 h VAL 43 CO -0.05 0.40 0.09 0.07 0.02 0.00 0.00 177.57 178.10 1nr3 h LYS 44 N 0.00 0.49 -0.00 1.57 2.10 0.54 -1.46 116.57 119.80 1nr3 h LYS 44 Ca -0.06 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1nr3 h LYS 44 Cb 1.44 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1nr3 h LYS 44 CO 0.06 0.54 0.18 1.03 -2.00 0.00 0.00 179.45 179.25 1nr3 h SER 45 N 0.35 0.00 -0.08 7.07 0.87 -1.36 1.06 113.55 121.46 1nr3 h SER 45 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1nr3 h SER 45 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1nr3 h SER 45 CO -0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 1nr3 n LEU 46 N -2.99 0.56 -0.10 2.23 4.77 -0.55 -3.97 117.00 116.95 1nr3 n LEU 46 Ca -0.02 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1nr3 n LEU 46 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1nr3 n LEU 46 CO 0.17 0.13 0.76 0.11 -1.33 0.00 0.00 177.39 177.23 1nr3 h LYS 47 N 0.68 -0.06 0.00 3.23 1.79 0.11 -3.47 116.57 118.85 1nr3 h LYS 47 Ca 0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 1nr3 h LYS 47 Cb 0.15 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1nr3 h LYS 47 CO 0.00 -0.04 -0.25 0.45 -1.08 0.00 0.00 179.45 178.53 1nr3 n SER 48 N -5.32 -4.20 -4.72 0.86 2.88 -1.20 -4.60 113.62 97.32 1nr3 n SER 48 Ca 0.01 0.73 -0.42 0.00 -1.33 0.00 0.00 58.87 57.87 1nr3 n SER 48 Cb 0.23 -2.31 -0.03 0.00 -0.75 0.00 0.00 64.21 61.36 1nr3 n SER 48 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nr3 s PRO 49 N -1.53 4.48 0.11 -1.46 0.04 -0.54 -3.81 135.00 132.29 1nr3 s PRO 49 Ca 0.00 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1nr3 s PRO 49 Cb 0.00 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1nr3 s PRO 49 CO 0.00 -0.17 0.27 0.08 0.04 0.00 0.00 177.00 177.22 1nr3 s VAL 50 N 0.77 0.11 -0.21 -0.36 1.01 0.13 -4.93 120.40 116.91 1nr3 s VAL 50 Ca 0.56 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1nr3 s VAL 50 Cb -0.29 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.78 1nr3 s VAL 50 CO 0.30 -0.50 0.55 0.00 0.00 0.00 0.00 175.10 175.46 1nr3 s ARG 51 N -3.86 0.64 -0.11 2.72 3.03 -1.26 -0.47 118.95 119.65 1nr3 s ARG 51 Ca 0.06 0.78 -0.30 0.00 2.03 0.00 0.00 55.73 58.30 1nr3 s ARG 51 Cb 0.04 0.31 0.09 0.00 -1.03 0.00 0.00 34.95 34.35 1nr3 s ARG 51 CO -0.10 -0.08 0.77 0.96 -1.13 0.00 0.00 175.30 175.73 1nr3 s ILE 52 N 0.33 0.00 0.08 4.99 -4.36 -0.32 -4.73 121.20 117.20 1nr3 s ILE 52 Ca -0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.36 1nr3 s ILE 52 Cb -0.04 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.62 1nr3 s ILE 52 CO 0.00 0.00 0.29 -0.22 0.24 0.00 0.00 174.94 175.25 1nr3 s LEU 53 N -0.95 4.32 -0.03 0.37 0.20 -1.26 -0.98 118.68 120.35 1nr3 s LEU 53 Ca -0.07 0.46 0.07 0.00 0.69 0.00 0.00 54.13 55.27 1nr3 s LEU 53 Cb -0.01 -3.05 -0.02 0.00 -0.43 0.00 0.00 46.19 42.68 1nr3 s LEU 53 CO 0.06 0.14 -0.23 0.00 -0.29 0.00 0.00 176.35 176.03 1nr3 n ARG 55 N 2.50 1.33 -1.62 0.00 5.12 -1.26 -1.62 116.66 121.10 1nr3 n ARG 55 Ca -0.16 -1.47 -0.42 0.00 -1.93 0.00 0.00 57.85 53.87 1nr3 n ARG 55 Cb 0.51 0.28 0.01 0.00 -1.16 0.00 0.00 32.46 32.11 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 -0.77 1.43 0.31 5.56 1.74 -1.25 -4.55 116.66 119.14 1nr3 n ARG 56 Ca -0.05 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.66 1nr3 n ARG 56 Cb 0.26 -2.06 0.63 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.68 0.00 0.00 -0.13 0.00 -1.85 0.36 103.07 103.14 1nr3 h GLY 57 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nr3 h GLY 57 CO 0.58 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.34 1nr3 n ASP 58 N -2.72 0.00 0.00 0.19 9.92 -1.26 -3.39 116.55 119.29 1nr3 n ASP 58 Ca -0.02 0.36 0.06 0.00 -0.53 0.00 0.00 54.79 54.66 1nr3 n ASP 58 Cb 0.48 -0.03 0.33 0.00 -0.64 0.00 0.00 41.12 41.25 1nr3 n ASP 58 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1nr3 n THR 59 N -0.59 0.27 -0.33 -3.53 5.66 -1.03 -3.08 114.28 111.65 1nr3 n THR 59 Ca 0.00 0.07 0.15 0.00 -3.05 0.00 0.00 64.05 61.22 1nr3 n THR 59 Cb 0.00 -0.88 0.35 0.00 -1.55 0.00 0.00 70.33 68.25 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 0.00 0.53 -0.13 1.09 5.85 -0.30 2.10 115.31 124.45 1nr3 h LEU 60 Ca 0.00 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nr3 h LEU 60 Cb 0.04 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1nr3 h LEU 60 CO 0.00 0.06 -0.04 -2.24 -0.34 0.00 0.00 178.44 175.89 1nr3 h ASP 61 N 0.51 -0.13 -0.22 1.25 2.03 -1.72 0.51 116.42 118.66 1nr3 h ASP 61 Ca 0.61 0.04 -0.17 0.00 -0.73 0.00 0.00 57.03 56.78 1nr3 h ASP 61 Cb 1.14 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1nr3 h ASP 61 CO -0.49 -0.05 -0.51 -0.08 -1.03 0.00 0.00 179.24 177.07 1nr3 h GLU 62 N -0.01 0.73 -0.59 4.15 4.22 -0.62 -2.97 114.58 119.49 1nr3 h GLU 62 Ca 0.06 -0.50 0.06 0.00 0.08 0.00 0.00 59.36 59.07 1nr3 h GLU 62 Cb 0.10 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1nr3 h GLU 62 CO -0.14 1.12 0.39 0.97 -2.18 0.00 0.00 179.01 179.17 1nr3 h ILE 63 N 0.45 0.99 -0.74 2.32 -0.00 0.35 0.90 117.51 121.79 1nr3 h ILE 63 Ca -0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 64.86 64.64 1nr3 h ILE 63 Cb 1.13 0.38 -0.03 0.00 -0.00 0.00 0.00 36.82 38.30 1nr3 h ILE 63 CO 0.11 0.10 0.35 0.40 -0.00 0.00 0.00 178.15 179.11 1nr3 h ILE 64 N 0.56 1.23 -0.49 2.19 5.03 0.18 0.70 117.51 126.91 1nr3 h ILE 64 Ca 0.26 -0.67 -0.05 0.00 -0.12 0.00 0.00 64.86 64.28 1nr3 h ILE 64 Cb 0.30 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.37 1nr3 h ILE 64 CO -0.07 0.28 0.09 0.50 -0.68 0.00 0.00 178.15 178.27 1nr3 h LYS 65 N 1.05 0.79 -0.16 2.37 3.64 -0.78 0.26 116.57 123.74 1nr3 h LYS 65 Ca 0.25 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1nr3 h LYS 65 Cb 0.11 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1nr3 h LYS 65 CO -0.03 0.79 -0.51 0.00 -2.27 0.00 0.00 179.45 177.43 1nr3 h ARG 66 N 0.67 0.44 -0.30 1.90 2.47 -0.68 -3.06 114.38 115.83 1nr3 h ARG 66 Ca 0.15 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 1nr3 h ARG 66 Cb 0.37 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1nr3 h ARG 66 CO 0.01 0.84 -0.11 -0.07 0.56 0.00 0.00 179.97 181.20 1nr3 h LEU 67 N 0.35 0.62 -0.82 3.04 3.38 0.71 -2.93 115.31 119.65 1nr3 h LEU 67 Ca 0.01 -0.39 0.20 0.00 0.09 0.00 0.00 57.88 57.79 1nr3 h LEU 67 Cb 1.01 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 1nr3 h LEU 67 CO 0.09 0.87 0.23 0.17 0.09 0.00 0.00 178.44 179.88 1nr3 h LEU 68 N 0.36 0.05 -2.26 1.67 8.10 -0.38 1.92 115.31 124.76 1nr3 h LEU 68 Ca 0.07 0.17 0.04 0.00 0.11 0.00 0.00 57.88 58.27 1nr3 h LEU 68 Cb 0.62 0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 1nr3 h LEU 68 CO 0.04 -0.08 0.22 -0.33 -4.11 0.00 0.00 178.44 174.18 1nr3 h GLU 69 N 0.26 0.00 0.08 0.17 4.39 -1.45 3.13 114.58 121.16 1nr3 h GLU 69 Ca 0.49 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.82 1nr3 h GLU 69 Cb 0.92 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1nr3 h GLU 69 CO -0.58 0.00 -2.11 0.39 -1.16 0.00 0.00 179.01 175.55 1nr3 n GLU 70 N -3.57 0.72 -0.04 2.33 -0.58 0.60 -4.00 120.64 116.11 1nr3 n GLU 70 Ca 0.01 0.24 -0.03 0.00 -0.42 0.00 0.00 57.16 56.97 1nr3 n GLU 70 Cb 0.33 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1nr3 n GLU 70 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1nr3 n SER 71 N -3.48 0.95 -0.61 1.62 7.64 0.16 -4.12 113.62 115.79 1nr3 n SER 71 Ca -0.36 0.42 0.48 0.00 1.01 0.00 0.00 58.87 60.42 1nr3 n SER 71 Cb 1.01 -0.69 0.76 0.00 -1.01 0.00 0.00 64.21 64.29 1nr3 n SER 71 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1nr3 h ASN 72 N -0.52 0.09 -0.14 6.43 -1.24 0.55 1.75 115.58 122.49 1nr3 h ASN 72 Ca 0.00 0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.12 1nr3 h ASN 72 Cb 0.29 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 1nr3 h ASN 72 CO 0.00 -0.12 -0.10 0.11 -1.29 0.00 0.00 177.43 176.03 1nr3 h LYS 73 N 0.00 -0.10 -0.33 6.67 1.79 -1.50 -0.67 116.57 122.44 1nr3 h LYS 73 Ca 0.92 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.39 1nr3 h LYS 73 Cb 3.37 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 34.05 1nr3 h LYS 73 CO -0.21 -0.07 0.00 -0.85 -1.08 0.00 0.00 179.45 177.24 1nr3 n GLU 74 N -5.25 2.03 -2.42 3.15 -0.00 0.56 -4.91 120.64 113.80 1nr3 n GLU 74 Ca -0.03 -1.57 -0.05 0.00 -0.00 0.00 0.00 57.16 55.51 1nr3 n GLU 74 Cb 0.17 -1.41 -0.01 0.00 -0.00 0.00 0.00 31.44 30.19 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 1.25 4.07 3.91 -1.84 0.00 0.11 -5.09 105.19 107.61 1nr3 n GLY 75 Ca 0.17 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.39 5.02 -0.88 -0.61 1.10 -1.26 -4.78 121.20 118.40 1nr3 s ILE 76 Ca 0.01 0.04 -0.28 0.00 -0.51 0.00 0.00 60.65 59.91 1nr3 s ILE 76 Cb 0.00 -3.74 -0.19 0.00 0.15 0.00 0.00 42.46 38.68 1nr3 s ILE 76 CO 0.00 -0.34 2.60 1.57 -2.11 0.00 0.00 174.94 176.66 1nr3 n HIS 77 N -1.00 0.74 -4.21 3.50 -0.00 -1.26 -4.82 115.22 108.17 1nr3 n HIS 77 Ca -0.02 0.29 -0.16 0.00 0.46 0.00 0.00 57.72 58.29 1nr3 n HIS 77 Cb 0.54 -2.34 -0.14 0.00 -0.12 0.00 0.00 29.99 27.94 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1nr3 s VAL 78 N 9.36 0.57 -0.24 3.57 1.01 -1.26 -4.38 120.40 129.03 1nr3 s VAL 78 Ca 1.26 -0.49 0.14 0.00 0.00 0.00 0.00 61.98 62.90 1nr3 s VAL 78 Cb -0.96 -0.51 0.47 0.00 0.00 0.00 0.00 36.38 35.38 1nr3 s VAL 78 CO 0.43 0.04 1.17 2.30 0.00 0.00 0.00 175.10 179.04 1nr3 n ILE 79 N 2.57 1.88 -2.51 2.22 -5.35 -1.26 -4.90 119.36 112.01 1nr3 n ILE 79 Ca -0.15 -3.40 -0.26 0.00 -0.27 0.00 0.00 62.75 58.66 1nr3 n ILE 79 Cb 0.57 -0.08 0.03 0.00 -1.74 0.00 0.00 39.64 38.41 1nr3 n ILE 79 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1nr3 s HIS 80 N -3.29 3.28 0.38 4.28 3.76 -1.26 -4.70 115.29 117.73 1nr3 s HIS 80 Ca 0.40 0.60 0.07 0.00 -0.15 0.00 0.00 55.06 55.98 1nr3 s HIS 80 Cb 0.38 -2.63 -0.00 0.00 1.11 0.00 0.00 32.58 31.43 1nr3 s HIS 80 CO -0.02 -0.70 0.49 0.16 -0.85 0.00 0.00 174.74 173.82 1nr3 s ASP 81 N -4.27 5.67 0.46 1.40 1.47 -1.26 -4.89 116.67 115.24 1nr3 s ASP 81 Ca 0.52 -0.38 0.15 0.00 1.18 0.00 0.00 52.55 54.03 1nr3 s ASP 81 Cb -0.10 -0.89 1.04 0.00 -0.34 0.00 0.00 42.92 42.63 1nr3 s ASP 81 CO 0.44 -0.59 2.01 -1.28 0.68 0.00 0.00 175.17 176.43 1nr3 h SER 82 N 0.83 0.00 -0.65 2.11 0.87 -1.95 0.25 113.55 115.02 1nr3 h SER 82 Ca -0.43 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 1nr3 h SER 82 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1nr3 h SER 82 CO 0.50 0.17 0.11 0.40 -0.53 0.00 0.00 176.83 177.48 1nr3 h ILE 83 N 0.00 1.26 0.04 2.23 2.04 -1.91 -2.21 117.51 118.97 1nr3 h ILE 83 Ca -0.00 -1.01 -0.23 0.00 1.00 0.00 0.00 64.86 64.62 1nr3 h ILE 83 Cb 0.30 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1nr3 h ILE 83 CO 0.02 0.38 -1.04 0.74 0.00 0.00 0.00 178.15 178.25 1nr3 h THR 84 N 0.98 1.58 -0.76 -0.27 2.02 -1.55 -3.20 112.91 111.71 1nr3 h THR 84 Ca 0.20 -3.06 0.06 0.00 0.77 0.00 0.00 66.41 64.38 1nr3 h THR 84 Cb 0.43 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 1nr3 h THR 84 CO 0.01 0.88 0.50 -0.07 0.37 0.00 0.00 175.52 177.21 1nr3 h LEU 85 N 0.05 0.71 -0.37 2.58 4.07 -0.25 1.22 115.31 123.32 1nr3 h LEU 85 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1nr3 h LEU 85 Cb 1.75 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 1nr3 h LEU 85 CO 0.15 0.46 0.13 0.00 -1.08 0.00 0.00 178.44 178.10 1nr3 h ALA 86 N 1.59 0.49 0.06 1.53 0.00 -1.40 0.53 119.26 122.05 1nr3 h ALA 86 Ca 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nr3 h ALA 86 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nr3 h ALA 86 CO -0.11 0.12 -0.03 0.35 0.00 0.00 0.00 179.25 179.58 1nr3 h PHE 87 N 0.45 -0.08 -0.15 0.00 3.04 -1.20 0.43 116.94 119.43 1nr3 h PHE 87 Ca 0.12 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1nr3 h PHE 87 Cb 0.23 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1nr3 h PHE 87 CO 0.01 0.46 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.62 1nr3 h LEU 88 N -0.68 -0.23 0.04 0.59 4.07 0.14 -2.32 115.31 116.92 1nr3 h LEU 88 Ca -0.01 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1nr3 h LEU 88 Cb 0.57 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1nr3 h LEU 88 CO 0.01 -0.09 -0.02 0.40 -1.08 0.00 0.00 178.44 177.66 1nr3 h ILE 89 N -0.05 1.12 -1.32 1.22 2.04 -0.01 -2.57 117.51 117.95 1nr3 h ILE 89 Ca 0.08 -0.49 0.45 0.00 1.00 0.00 0.00 64.86 65.90 1nr3 h ILE 89 Cb 0.17 1.45 -0.13 0.00 -0.74 0.00 0.00 36.82 37.57 1nr3 h ILE 89 CO -0.19 0.13 0.85 0.54 0.00 0.00 0.00 178.15 179.48 1nr3 n ARG 90 N -5.01 -0.03 -0.04 2.37 1.74 0.15 0.41 116.66 116.25 1nr3 n ARG 90 Ca -0.08 1.17 -0.15 0.00 -0.77 0.00 0.00 57.85 58.03 1nr3 n ARG 90 Cb 0.14 -2.33 -0.08 0.00 -1.02 0.00 0.00 32.46 29.17 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 0.43 -0.04 5.56 4.39 -1.02 0.47 114.58 124.37 1nr3 h GLU 91 Ca 0.83 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1nr3 h GLU 91 Cb 2.70 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.40 1nr3 h GLU 91 CO -0.42 0.93 0.00 0.36 -1.16 0.00 0.00 179.01 178.71 1nr3 n LYS 92 N -4.38 1.62 -2.70 2.33 2.85 0.70 -4.56 118.16 114.01 1nr3 n LYS 92 Ca -0.07 -0.90 -0.01 0.00 -1.05 0.00 0.00 58.31 56.28 1nr3 n LYS 92 Cb 0.50 -1.47 0.02 0.00 -0.65 0.00 0.00 35.03 33.43 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nr3 s ALA 93 N -1.97 -4.56 -1.37 0.58 0.00 1.38 -4.78 121.76 111.04 1nr3 s ALA 93 Ca 0.38 0.95 0.14 0.00 0.00 0.00 0.00 51.96 53.42 1nr3 s ALA 93 Cb 0.20 -3.01 0.67 0.00 0.00 0.00 0.00 23.12 20.98 1nr3 s ALA 93 CO 0.32 -2.53 1.37 -1.13 0.00 0.00 0.00 175.76 173.80 1nr3 n SER 94 N 3.06 0.00 0.00 0.00 3.41 0.16 -3.26 113.62 117.00 1nr3 n SER 94 Ca 0.09 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1nr3 n SER 94 Cb 0.64 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.32 0.00 -2.09 7.33 8.25 -1.26 -4.84 115.22 121.29 1nr3 n HIS 95 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 1nr3 n HIS 95 Cb 0.12 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1nr3 n HIS 95 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nr3 s ARG 96 N -0.45 3.01 0.13 -0.41 1.70 -1.24 -4.95 118.95 116.74 1nr3 s ARG 96 Ca 0.00 0.89 0.04 0.00 -0.47 0.00 0.00 55.73 56.18 1nr3 s ARG 96 Cb 0.00 -4.27 -0.04 0.00 -0.57 0.00 0.00 34.95 30.07 1nr3 s ARG 96 CO 0.00 -2.26 -0.09 0.42 -1.08 0.00 0.00 175.30 172.29 1nr3 s ILE 97 N 7.72 0.99 -0.17 4.99 1.01 -1.26 -4.67 121.20 129.81 1nr3 s ILE 97 Ca 0.69 -1.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.32 1nr3 s ILE 97 Cb -0.16 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1nr3 s ILE 97 CO 0.26 -0.77 -0.02 0.54 0.00 0.00 0.00 174.94 174.96 1nr3 s VAL 98 N -3.33 3.98 0.19 2.92 0.11 -1.26 -5.03 120.40 117.99 1nr3 s VAL 98 Ca 0.14 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1nr3 s VAL 98 Cb 0.03 -2.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1nr3 s VAL 98 CO -0.01 0.48 0.26 1.41 -3.33 0.00 0.00 175.10 173.91 1nr3 n HIS 99 N 3.67 -3.70 -3.28 1.54 8.25 -1.26 -4.43 115.22 116.00 1nr3 n HIS 99 Ca -0.17 -0.31 0.03 0.00 -0.26 0.00 0.00 57.72 57.01 1nr3 n HIS 99 Cb 0.52 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 1nr3 n HIS 99 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1nr3 s ARG 100 N -3.36 0.31 0.10 -0.41 3.00 -1.26 -4.91 118.95 112.42 1nr3 s ARG 100 Ca 0.16 0.67 0.09 0.00 -1.00 0.00 0.00 55.73 55.64 1nr3 s ARG 100 Cb -0.01 0.39 -0.04 0.00 0.00 0.00 0.00 34.95 35.29 1nr3 s ARG 100 CO 0.11 -0.23 -0.19 0.54 0.00 0.00 0.00 175.30 175.53 1nr3 s VAL 101 N 2.71 2.78 -0.78 7.11 0.11 -1.26 -4.92 120.40 126.16 1nr3 s VAL 101 Ca 0.02 -1.46 0.03 0.00 -2.93 0.00 0.00 61.98 57.63 1nr3 s VAL 101 Cb -0.09 -2.25 0.29 0.00 -1.53 0.00 0.00 36.38 32.80 1nr3 s VAL 101 CO -0.16 0.15 1.09 0.52 -3.33 0.00 0.00 175.10 173.37 1nr3 n VAL 102 N 0.96 3.67 0.00 2.04 0.31 -1.26 -3.02 118.33 121.03 1nr3 n VAL 102 Ca -0.16 -5.56 0.00 0.00 -0.01 0.00 0.00 64.34 58.61 1nr3 n VAL 102 Cb 0.53 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1nr3 n VAL 102 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1nr3 n LYS 103 N 0.65 0.00 -4.50 5.55 0.00 -1.26 -4.79 118.16 113.81 1nr3 n LYS 103 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.37 1nr3 n LYS 103 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.31 1nr3 n LYS 103 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1nr3 s SER 104 N -1.26 2.67 0.04 3.14 1.04 -1.26 -5.01 113.70 113.06 1nr3 s SER 104 Ca 0.00 -1.61 -0.04 0.00 0.48 0.00 0.00 55.95 54.78 1nr3 s SER 104 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1nr3 s SER 104 CO 0.00 -0.87 0.25 -0.62 0.98 0.00 0.00 173.24 172.99 1nr3 s ASP 105 N -3.58 6.44 -0.17 7.02 -1.08 -1.26 -4.25 116.67 119.79 1nr3 s ASP 105 Ca 0.26 0.45 -0.12 0.00 -0.52 0.00 0.00 52.55 52.63 1nr3 s ASP 105 Cb 0.04 -2.04 0.05 0.00 -1.46 0.00 0.00 42.92 39.51 1nr3 s ASP 105 CO 0.14 0.20 0.42 0.12 0.52 0.00 0.00 175.17 176.58 1nr3 s PHE 106 N -1.41 -0.55 0.06 -5.34 2.19 -0.64 -4.43 117.98 107.85 1nr3 s PHE 106 Ca 0.31 1.24 0.03 0.00 0.33 0.00 0.00 56.93 58.84 1nr3 s PHE 106 Cb -0.13 0.23 -0.04 0.00 -1.31 0.00 0.00 43.02 41.77 1nr3 s PHE 106 CO 0.21 -0.30 0.07 -1.21 1.83 0.00 0.00 175.22 175.82 1nr3 s GLU 107 N 0.90 2.88 -0.00 10.12 2.02 0.36 0.77 118.70 135.75 1nr3 s GLU 107 Ca -0.05 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 1nr3 s GLU 107 Cb -0.06 -2.73 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1nr3 s GLU 107 CO -0.07 0.58 0.05 0.42 0.02 0.00 0.00 175.26 176.26 1nr3 s ILE 108 N -1.33 0.06 0.14 -1.63 1.09 -0.16 -1.87 121.20 117.50 1nr3 s ILE 108 Ca 0.27 -0.52 -0.25 0.00 -1.10 0.00 0.00 60.65 59.05 1nr3 s ILE 108 Cb -0.12 -0.25 0.07 0.00 -1.06 0.00 0.00 42.46 41.10 1nr3 s ILE 108 CO 0.20 -0.29 1.00 -0.83 -0.10 0.00 0.00 174.94 174.92 1nr3 s GLY 109 N -0.90 -0.23 0.20 6.18 0.00 -0.11 -1.18 107.32 111.29 1nr3 s GLY 109 Ca -0.10 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 1nr3 s GLY 109 CO 0.00 0.15 0.29 0.54 0.00 0.00 0.00 173.10 174.08 1nr3 s VAL 110 N -3.12 0.02 -0.05 1.40 0.11 0.38 -0.46 120.40 118.69 1nr3 s VAL 110 Ca 0.13 -1.63 0.06 0.00 -2.93 0.00 0.00 61.98 57.61 1nr3 s VAL 110 Cb -0.01 -2.19 -0.08 0.00 -1.53 0.00 0.00 36.38 32.57 1nr3 s VAL 110 CO 0.02 -0.11 0.05 0.35 -3.33 0.00 0.00 175.10 172.07 1nr3 n THR 111 N -0.28 0.33 0.00 5.04 -2.24 -1.26 0.17 114.28 116.03 1nr3 n THR 111 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1nr3 n THR 111 Cb 0.64 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.12 0.00 0.00 -0.78 1.74 -1.25 -1.47 116.66 112.78 1nr3 n ARG 112 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1nr3 n ARG 112 Cb 0.59 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1nr3 n ARG 112 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1nr3 n ASP 113 N -2.33 0.00 0.00 0.55 -0.08 -1.26 -3.23 116.55 110.19 1nr3 n ASP 113 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nr3 n ASP 113 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1nr3 n ASP 113 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nr3 n GLY 114 N 0.00 -0.84 3.86 0.27 0.00 -1.26 -4.37 105.19 102.84 1nr3 n GLY 114 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1nr3 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nr3 s GLU 115 N -1.34 3.18 0.14 1.61 0.41 -1.26 -4.73 118.70 116.71 1nr3 s GLU 115 Ca 0.00 0.72 0.05 0.00 -0.41 0.00 0.00 54.97 55.33 1nr3 s GLU 115 Cb 0.00 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 30.27 1nr3 s GLU 115 CO 0.00 -0.87 -0.12 0.96 -0.49 0.00 0.00 175.26 174.75 1nr3 s ILE 116 N -3.19 1.23 -0.01 -1.63 -5.25 -1.26 -4.30 121.20 106.79 1nr3 s ILE 116 Ca 0.57 -1.91 0.03 0.00 -0.99 0.00 0.00 60.65 58.35 1nr3 s ILE 116 Cb -0.12 -1.69 -0.01 0.00 2.95 0.00 0.00 42.46 43.59 1nr3 s ILE 116 CO 0.54 -0.61 -0.10 0.27 -1.79 0.00 0.00 174.94 173.25 1nr3 s ILE 117 N -2.80 0.78 0.03 8.37 -4.36 0.39 -4.98 121.20 118.63 1nr3 s ILE 117 Ca 0.13 -0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 60.00 1nr3 s ILE 117 Cb -0.01 -0.66 -0.00 0.00 1.25 0.00 0.00 42.46 43.04 1nr3 s ILE 117 CO 0.02 0.21 0.15 0.54 0.24 0.00 0.00 174.94 176.10 1nr3 s VAL 118 N -0.26 0.11 -0.29 8.37 0.11 -1.26 -0.93 120.40 126.25 1nr3 s VAL 118 Ca 0.04 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 57.98 1nr3 s VAL 118 Cb -0.04 -0.85 0.17 0.00 -1.53 0.00 0.00 36.38 34.13 1nr3 s VAL 118 CO -0.00 -0.52 1.10 -0.62 -3.33 0.00 0.00 175.10 171.73 1nr3 s ASP 119 N -2.02 -0.33 -0.19 3.54 3.68 -0.78 -4.93 116.67 115.64 1nr3 s ASP 119 Ca -0.06 0.51 -0.06 0.00 2.13 0.00 0.00 52.55 55.07 1nr3 s ASP 119 Cb -0.02 1.19 -0.21 0.00 -1.45 0.00 0.00 42.92 42.43 1nr3 s ASP 119 CO -0.03 -0.08 3.45 0.18 0.13 0.00 0.00 175.17 178.82 1nr3 n LEU 120 N 3.70 5.69 -1.62 -1.34 4.32 -1.26 0.13 117.00 126.62 1nr3 n LEU 120 Ca -0.16 -3.40 0.00 0.00 -0.02 0.00 0.00 56.01 52.43 1nr3 n LEU 120 Cb 0.56 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1nr3 n LEU 120 CO 0.02 1.74 -0.46 -3.20 -1.22 0.00 0.00 177.39 174.26 1nr3 n ASN 121 N 2.35 -8.75 0.00 -1.43 2.85 -1.26 -4.83 115.26 104.20 1nr3 n ASN 121 Ca 0.47 1.30 0.00 0.00 -0.11 0.00 0.00 54.58 56.24 1nr3 n ASN 121 Cb 0.81 -4.93 0.00 0.00 1.24 0.00 0.00 39.78 36.91 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91