#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 0.73 0.03 0.03 3.52 -1.26 -5.16 118.95 116.84 1nr3 s ARG 2 Ca 0.00 -1.05 0.04 0.00 -0.13 0.00 0.00 55.73 54.59 1nr3 s ARG 2 Cb 0.00 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 1nr3 s ARG 2 CO 0.00 0.05 -0.05 -2.00 -0.81 0.00 0.00 175.30 172.49 1nr3 s GLU 3 N -2.55 2.53 0.65 5.12 2.56 -1.26 -5.09 118.70 120.66 1nr3 s GLU 3 Ca 0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 54.97 54.05 1nr3 s GLU 3 Cb -0.04 -2.50 -0.06 0.00 2.00 0.00 0.00 34.13 33.53 1nr3 s GLU 3 CO -0.01 0.59 0.62 2.89 -0.56 0.00 0.00 175.26 178.78 1nr3 n ARG 4 N 1.31 0.48 0.00 4.30 1.85 -1.26 -4.50 116.66 118.84 1nr3 n ARG 4 Ca -0.14 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1nr3 n ARG 4 Cb 0.52 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 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 1.62 1.38 4.38 2.89 0.00 -1.26 -4.80 105.19 109.41 1nr3 n GLY 5 Ca 0.11 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 2.60 -1.30 -2.37 1.61 4.27 -1.26 -4.74 117.44 116.25 1nr3 n TRP 6 Ca 0.00 0.67 -0.43 0.00 -3.89 0.00 0.00 57.50 53.85 1nr3 n TRP 6 Cb 0.00 -1.99 0.00 0.00 -1.36 0.00 0.00 31.31 27.96 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 -2.44 4.68 -4.04 -0.67 2.88 -1.26 -4.53 113.62 108.24 1nr3 n SER 7 Ca 0.11 -2.92 -0.43 0.00 -1.33 0.00 0.00 58.87 54.30 1nr3 n SER 7 Cb 0.46 -1.68 0.02 0.00 -0.75 0.00 0.00 64.21 62.26 1nr3 n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nr3 n GLN 8 N 6.98 -0.35 0.00 -1.46 1.13 -1.26 -4.90 117.38 117.52 1nr3 n GLN 8 Ca 0.47 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 1nr3 n GLN 8 Cb 0.43 -2.19 0.00 0.00 0.11 0.00 0.00 30.24 28.59 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1nr3 n LYS 9 N -4.63 0.00 0.00 -1.09 3.00 -1.26 -4.97 118.16 109.21 1nr3 n LYS 9 Ca -0.12 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1nr3 n LYS 9 Cb 0.53 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.80 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1nr3 n LYS 10 N -0.86 0.00 0.00 1.64 4.81 -1.26 -4.86 118.16 117.62 1nr3 n LYS 10 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1nr3 n LYS 10 Cb 0.00 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.52 1nr3 n LYS 10 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1nr3 n ILE 11 N 0.00 0.00 -0.49 3.15 5.41 -1.26 -3.87 119.36 122.31 1nr3 n ILE 11 Ca 0.00 0.00 0.40 0.00 1.00 0.00 0.00 62.75 64.15 1nr3 n ILE 11 Cb 0.00 -0.41 0.67 0.00 -0.71 0.00 0.00 39.64 39.18 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 n ALA 12 N -0.81 1.39 0.33 -1.39 0.00 -1.26 0.12 120.51 118.88 1nr3 n ALA 12 Ca 0.12 0.79 -0.17 0.00 0.00 0.00 0.00 53.44 54.17 1nr3 n ALA 12 Cb 0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 1nr3 n ALA 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1nr3 h ARG 13 N 0.00 -0.88 0.00 0.00 2.43 -1.96 0.49 114.38 114.46 1nr3 h ARG 13 Ca 0.84 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 60.07 1nr3 h ARG 13 Cb 2.85 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 32.60 1nr3 h ARG 13 CO -0.36 -0.59 -0.03 1.49 -1.51 0.00 0.00 179.97 178.97 1nr3 h GLU 14 N -0.91 0.00 0.05 0.20 4.81 0.66 -0.99 114.58 118.40 1nr3 h GLU 14 Ca -0.07 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.90 1nr3 h GLU 14 Cb 0.75 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.15 1nr3 h GLU 14 CO 0.05 0.03 -1.06 -0.07 -0.73 0.00 0.00 179.01 177.23 1nr3 h LEU 15 N 0.00 0.85 -1.23 1.64 4.07 -0.06 -2.68 115.31 117.89 1nr3 h LEU 15 Ca -0.00 -0.78 -0.07 0.00 0.08 0.00 0.00 57.88 57.12 1nr3 h LEU 15 Cb 0.12 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1nr3 h LEU 15 CO 0.00 1.52 -0.18 0.50 -1.08 0.00 0.00 178.44 179.21 1nr3 h LYS 16 N 0.27 0.30 0.00 1.13 3.11 0.12 -1.80 116.57 119.70 1nr3 h LYS 16 Ca -0.15 -0.09 -0.10 0.00 -2.81 0.00 0.00 60.65 57.51 1nr3 h LYS 16 Cb 1.73 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.91 1nr3 h LYS 16 CO 0.21 0.48 -0.46 1.15 -2.81 0.00 0.00 179.45 178.02 1nr3 h THR 17 N 0.28 1.18 -0.23 1.00 2.02 -1.26 -3.44 112.91 112.46 1nr3 h THR 17 Ca 0.05 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1nr3 h THR 17 Cb 0.49 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1nr3 h THR 17 CO 0.03 0.45 0.00 1.07 0.37 0.00 0.00 175.52 177.44 1nr3 n THR 18 N -3.78 0.00 0.00 3.16 5.66 -0.67 -4.66 114.28 113.98 1nr3 n THR 18 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1nr3 n THR 18 Cb 0.51 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1nr3 n THR 18 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1nr3 n ARG 19 N 0.00 0.00 -3.84 1.09 1.85 -1.26 -4.58 116.66 109.92 1nr3 n ARG 19 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1nr3 n ARG 19 Cb 0.00 -0.21 -0.07 0.00 -1.05 0.00 0.00 32.46 31.13 1nr3 n ARG 19 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1nr3 n GLN 20 N -1.08 -0.90 -2.57 2.89 -0.06 -1.26 0.25 117.38 114.65 1nr3 n GLN 20 Ca 0.00 0.08 -0.08 0.00 -2.00 0.00 0.00 57.00 55.00 1nr3 n GLN 20 Cb 0.00 -2.97 -0.02 0.00 -4.06 0.00 0.00 30.24 23.19 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1nr3 n ASN 21 N -1.95 -0.98 -0.19 1.69 3.02 -1.26 -4.60 115.26 111.00 1nr3 n ASN 21 Ca -0.14 0.07 0.02 0.00 -0.03 0.00 0.00 54.58 54.50 1nr3 n ASN 21 Cb 0.46 -0.93 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 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 -2.36 0.09 0.00 2.41 0.31 0.71 -4.95 118.33 114.53 1nr3 n VAL 22 Ca 0.02 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1nr3 n VAL 22 Cb 0.40 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.37 1nr3 n VAL 22 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nr3 n SER 23 N 0.23 0.00 -3.79 4.52 2.88 -0.98 -4.92 113.62 111.55 1nr3 n SER 23 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 1nr3 n SER 23 Cb 0.13 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.63 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 -2.67 -2.58 0.29 -1.46 0.00 -1.26 -4.76 120.51 108.08 1nr3 n ALA 24 Ca 0.00 -0.34 0.18 0.00 0.00 0.00 0.00 53.44 53.27 1nr3 n ALA 24 Cb 0.00 -3.62 0.86 0.00 0.00 0.00 0.00 19.45 16.69 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 -2.07 0.17 -0.12 0.00 2.04 -1.96 -1.47 117.51 114.10 1nr3 h ILE 25 Ca -0.67 -0.38 -0.23 0.00 1.00 0.00 0.00 64.86 64.57 1nr3 h ILE 25 Cb 1.37 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1nr3 h ILE 25 CO 0.49 0.04 -0.84 1.05 0.00 0.00 0.00 178.15 178.89 1nr3 h GLU 26 N 0.00 0.77 0.22 2.37 4.11 -1.98 -0.55 114.58 119.52 1nr3 h GLU 26 Ca -0.00 -0.67 -0.01 0.00 0.07 0.00 0.00 59.36 58.75 1nr3 h GLU 26 Cb 0.31 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1nr3 h GLU 26 CO 0.01 1.27 -0.10 0.00 0.07 0.00 0.00 179.01 180.25 1nr3 h ARG 27 N 0.51 -0.28 0.32 1.06 2.47 -1.72 -1.61 114.38 115.14 1nr3 h ARG 27 Ca -0.07 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1nr3 h ARG 27 Cb 1.47 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.84 1nr3 h ARG 27 CO 0.17 0.11 -0.30 0.87 0.56 0.00 0.00 179.97 181.37 1nr3 h LYS 28 N -0.83 -0.63 -0.16 0.04 1.79 -1.40 0.32 116.57 115.70 1nr3 h LYS 28 Ca -0.03 0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1nr3 h LYS 28 Cb 0.51 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 1nr3 h LYS 28 CO 0.05 -0.42 -0.37 0.00 -1.08 0.00 0.00 179.45 177.63 1nr3 h ALA 29 N -0.10 -0.69 0.00 3.86 0.00 -1.19 0.74 119.26 121.88 1nr3 h ALA 29 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nr3 h ALA 29 Cb 0.59 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1nr3 h ALA 29 CO -0.05 -0.84 0.12 1.98 0.00 0.00 0.00 179.25 180.46 1nr3 h MET 30 N -0.34 0.00 -1.95 0.00 1.85 -1.13 -1.67 114.93 111.69 1nr3 h MET 30 Ca 0.03 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.94 1nr3 h MET 30 Cb 0.43 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.39 1nr3 h MET 30 CO -0.34 0.00 -0.08 0.39 -0.40 0.00 0.00 176.91 176.48 1nr3 n GLU 31 N -2.56 1.72 -3.50 0.39 -0.58 0.26 -4.68 120.64 111.67 1nr3 n GLU 31 Ca -0.02 -0.91 -0.24 0.00 -0.42 0.00 0.00 57.16 55.57 1nr3 n GLU 31 Cb 0.17 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 1nr3 n GLU 31 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nr3 n ASN 32 N 1.76 -2.87 -4.51 1.62 4.13 -1.02 -4.85 115.26 109.51 1nr3 n ASN 32 Ca 0.29 -0.45 -0.32 0.00 1.68 0.00 0.00 54.58 55.78 1nr3 n ASN 32 Cb 0.71 -2.42 0.16 0.00 -1.54 0.00 0.00 39.78 36.68 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nr3 n ILE 33 N -3.75 0.00 0.15 2.41 3.06 -0.66 -4.89 119.36 115.68 1nr3 n ILE 33 Ca 0.02 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1nr3 n ILE 33 Cb 0.51 -0.81 0.00 0.00 0.54 0.00 0.00 39.64 39.89 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 -3.06 0.00 0.00 9.51 -0.58 -1.26 -5.00 120.64 120.25 1nr3 n GLU 34 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1nr3 n GLU 34 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1nr3 n LYS 35 N -3.27 0.00 0.08 3.49 4.81 -1.26 -5.08 118.16 116.93 1nr3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nr3 n LYS 35 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nr3 n SER 36 N 0.00 -0.62 -0.12 3.14 7.64 -1.26 -4.96 113.62 117.44 1nr3 n SER 36 Ca 0.00 0.29 -0.03 0.00 1.01 0.00 0.00 58.87 60.13 1nr3 n SER 36 Cb 0.00 0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 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 -2.95 -0.13 -1.65 1.43 3.00 -1.26 -4.84 116.66 110.26 1nr3 n ARG 37 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 57.85 58.93 1nr3 n ARG 37 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.84 1nr3 n ARG 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1nr3 n ASN 38 N -3.63 -0.88 0.00 0.55 5.15 -1.26 -5.01 115.26 110.18 1nr3 n ASN 38 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1nr3 n ASN 38 Cb 0.08 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1nr3 n THR 39 N -3.49 0.00 0.25 -0.44 -1.04 -1.26 -1.38 114.28 106.91 1nr3 n THR 39 Ca 0.00 0.45 0.13 0.00 -2.04 0.00 0.00 64.05 62.58 1nr3 n THR 39 Cb 0.41 -1.03 0.67 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.14 -4.42 8.10 -1.93 -0.65 115.31 116.55 1nr3 h LEU 40 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1nr3 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1nr3 h LEU 40 CO 0.00 0.00 -0.07 -0.78 -4.11 0.00 0.00 178.44 173.48 1nr3 h ASP 41 N 0.00 -0.16 -0.94 0.17 1.82 -1.97 0.23 116.42 115.57 1nr3 h ASP 41 Ca 0.00 -0.17 0.20 0.00 -0.39 0.00 0.00 57.03 56.67 1nr3 h ASP 41 Cb 0.43 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.40 1nr3 h ASP 41 CO 0.00 0.39 0.61 0.15 -1.61 0.00 0.00 179.24 178.77 1nr3 h PHE 42 N -1.01 0.74 0.02 0.28 3.57 0.10 0.31 116.94 120.95 1nr3 h PHE 42 Ca -0.02 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1nr3 h PHE 42 Cb 0.32 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1nr3 h PHE 42 CO 0.05 0.19 -1.15 -0.24 -2.23 0.00 0.00 178.31 174.93 1nr3 h VAL 43 N 0.55 1.55 -0.52 1.41 3.04 -1.43 -3.30 116.25 117.55 1nr3 h VAL 43 Ca 0.51 -3.26 0.10 0.00 -1.01 0.00 0.00 66.70 63.04 1nr3 h VAL 43 Cb 1.05 2.79 -0.09 0.00 -2.01 0.00 0.00 31.29 33.03 1nr3 h VAL 43 CO -0.25 0.89 -0.04 0.11 -1.01 0.00 0.00 177.57 177.28 1nr3 h LYS 44 N 0.01 0.08 -1.80 4.17 1.57 0.31 0.41 116.57 121.32 1nr3 h LYS 44 Ca -0.07 -0.00 0.53 0.00 -1.87 0.00 0.00 60.65 59.23 1nr3 h LYS 44 Cb 1.84 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.05 1nr3 h LYS 44 CO 0.13 0.05 1.29 1.03 -0.57 0.00 0.00 179.45 181.38 1nr3 h SER 45 N 0.08 0.02 -0.42 0.86 0.87 -1.50 1.40 113.55 114.86 1nr3 h SER 45 Ca 0.26 0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.56 1nr3 h SER 45 Cb 0.41 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 62.26 1nr3 h SER 45 CO -0.47 -0.01 0.33 0.18 -0.53 0.00 0.00 176.83 176.33 1nr3 n LEU 46 N -4.03 6.27 0.11 2.23 4.77 0.15 -4.51 117.00 121.98 1nr3 n LEU 46 Ca 0.41 -3.19 -0.12 0.00 -0.03 0.00 0.00 56.01 53.07 1nr3 n LEU 46 Cb 1.85 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1nr3 n LEU 46 CO 0.43 1.22 0.70 0.07 -1.33 0.00 0.00 177.39 178.48 1nr3 h LYS 47 N 1.49 -0.43 -2.28 3.23 -0.00 0.18 -3.48 116.57 115.29 1nr3 h LYS 47 Ca 0.25 0.03 0.23 0.00 -0.00 0.00 0.00 60.65 61.15 1nr3 h LYS 47 Cb 0.93 0.10 -0.08 0.00 -0.00 0.00 0.00 32.23 33.17 1nr3 h LYS 47 CO 0.63 -0.28 -0.47 0.45 -0.00 0.00 0.00 179.45 179.78 1nr3 n SER 48 N -5.37 -5.23 -4.65 7.07 2.88 -1.25 -4.53 113.62 102.55 1nr3 n SER 48 Ca -0.06 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.58 1nr3 n SER 48 Cb 0.28 -3.24 -0.02 0.00 -0.75 0.00 0.00 64.21 60.47 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 -2.70 4.08 0.05 -1.46 0.04 -1.26 -4.40 135.00 129.36 1nr3 s PRO 49 Ca 0.00 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.61 1nr3 s PRO 49 Cb 0.00 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1nr3 s PRO 49 CO 0.00 -0.91 -0.19 0.08 0.04 0.00 0.00 177.00 176.02 1nr3 s VAL 50 N 3.97 1.50 -0.28 -0.36 1.01 0.12 -4.99 120.40 121.37 1nr3 s VAL 50 Ca 0.57 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1nr3 s VAL 50 Cb -0.20 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 34.93 1nr3 s VAL 50 CO 0.19 0.09 0.72 -0.60 0.00 0.00 0.00 175.10 175.50 1nr3 s ARG 51 N -1.31 0.76 -0.00 2.72 3.52 -1.26 -0.41 118.95 122.97 1nr3 s ARG 51 Ca 0.05 1.08 -0.04 0.00 -0.13 0.00 0.00 55.73 56.69 1nr3 s ARG 51 Cb -0.09 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1nr3 s ARG 51 CO 0.02 -0.12 0.08 0.96 -0.81 0.00 0.00 175.30 175.43 1nr3 s ILE 52 N 0.94 0.07 0.11 4.11 -4.36 0.03 -4.66 121.20 117.45 1nr3 s ILE 52 Ca -0.04 -0.59 -0.08 0.00 -0.26 0.00 0.00 60.65 59.68 1nr3 s ILE 52 Cb -0.05 -0.32 -0.06 0.00 1.25 0.00 0.00 42.46 43.28 1nr3 s ILE 52 CO -0.09 -0.33 0.40 -0.22 0.24 0.00 0.00 174.94 174.94 1nr3 s LEU 53 N -1.07 4.30 -0.15 0.37 0.20 -1.26 -1.39 118.68 119.68 1nr3 s LEU 53 Ca -0.12 0.71 -0.01 0.00 0.69 0.00 0.00 54.13 55.40 1nr3 s LEU 53 Cb -0.07 -3.15 -0.02 0.00 -0.43 0.00 0.00 46.19 42.53 1nr3 s LEU 53 CO 0.01 0.11 -0.10 0.00 -0.29 0.00 0.00 176.35 176.07 1nr3 n ARG 55 N 3.69 1.42 -1.64 0.00 1.74 -1.26 -0.55 116.66 120.06 1nr3 n ARG 55 Ca -0.18 -1.47 -0.49 0.00 -0.77 0.00 0.00 57.85 54.94 1nr3 n ARG 55 Cb 0.52 0.34 -0.05 0.00 -1.02 0.00 0.00 32.46 32.25 1nr3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nr3 n ARG 56 N -0.63 1.76 0.03 5.56 1.74 -1.25 -4.33 116.66 119.54 1nr3 n ARG 56 Ca -0.07 0.63 0.22 0.00 -0.77 0.00 0.00 57.85 57.87 1nr3 n ARG 56 Cb 0.26 -2.36 0.68 0.00 -1.02 0.00 0.00 32.46 30.01 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 5.73 0.00 2.00 -0.13 0.00 -1.81 1.61 103.07 110.48 1nr3 h GLY 57 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1nr3 h GLY 57 CO 0.86 0.00 -0.25 -1.80 0.00 0.00 0.00 176.54 175.34 1nr3 h ASP 58 N 0.00 0.00 -0.41 0.19 1.82 -1.90 -1.96 116.42 114.16 1nr3 h ASP 58 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1nr3 h ASP 58 Cb 1.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1nr3 h ASP 58 CO -0.00 0.25 0.00 1.07 -1.61 0.00 0.00 179.24 178.95 1nr3 n THR 59 N -3.71 0.80 -0.29 2.25 5.66 0.54 -4.52 114.28 115.00 1nr3 n THR 59 Ca -0.01 -0.90 0.07 0.00 -3.05 0.00 0.00 64.05 60.16 1nr3 n THR 59 Cb 0.36 0.67 0.22 0.00 -1.55 0.00 0.00 70.33 70.04 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 3.05 0.49 -0.44 1.09 5.85 -0.45 1.61 115.31 126.50 1nr3 h LEU 60 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1nr3 h LEU 60 Cb 0.81 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1nr3 h LEU 60 CO 0.00 0.20 0.09 -2.24 -0.34 0.00 0.00 178.44 176.15 1nr3 h ASP 61 N 0.59 0.01 -0.13 1.25 3.04 -1.79 0.63 116.42 120.02 1nr3 h ASP 61 Ca 0.46 0.08 -0.21 0.00 -3.24 0.00 0.00 57.03 54.11 1nr3 h ASP 61 Cb 0.67 0.10 0.01 0.00 -1.04 0.00 0.00 39.33 39.07 1nr3 h ASP 61 CO -0.37 0.04 -0.74 -0.08 -2.04 0.00 0.00 179.24 176.05 1nr3 h GLU 62 N 0.23 0.74 0.00 4.15 4.81 -1.13 -2.96 114.58 120.41 1nr3 h GLU 62 Ca 0.22 -0.61 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1nr3 h GLU 62 Cb 0.27 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1nr3 h GLU 62 CO -0.28 1.22 -0.00 0.97 -0.73 0.00 0.00 179.01 180.19 1nr3 h ILE 63 N 0.44 0.66 0.16 2.32 -0.00 0.29 -1.58 117.51 119.80 1nr3 h ILE 63 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 64.86 64.78 1nr3 h ILE 63 Cb 1.38 1.01 0.00 0.00 -0.00 0.00 0.00 36.82 39.21 1nr3 h ILE 63 CO 0.15 0.00 -0.07 0.40 -0.00 0.00 0.00 178.15 178.63 1nr3 h ILE 64 N 0.00 0.90 -0.40 2.19 2.04 0.43 0.81 117.51 123.48 1nr3 h ILE 64 Ca -0.00 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1nr3 h ILE 64 Cb 0.01 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1nr3 h ILE 64 CO 0.00 0.06 0.19 0.07 0.00 0.00 0.00 178.15 178.47 1nr3 h LYS 65 N -0.33 0.56 -0.09 2.37 2.10 -1.35 -1.17 116.57 118.67 1nr3 h LYS 65 Ca -0.02 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.40 1nr3 h LYS 65 Cb 0.26 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1nr3 h LYS 65 CO 0.04 0.44 -0.67 0.00 -2.00 0.00 0.00 179.45 177.25 1nr3 h ARG 66 N 0.56 0.36 0.08 0.07 2.47 -0.82 -3.16 114.38 113.94 1nr3 h ARG 66 Ca 0.14 -0.27 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1nr3 h ARG 66 Cb 0.06 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1nr3 h ARG 66 CO -0.02 0.90 -0.04 -0.07 0.56 0.00 0.00 179.97 181.30 1nr3 h LEU 67 N 0.26 -0.09 -0.64 3.04 3.38 0.18 -2.65 115.31 118.79 1nr3 h LEU 67 Ca -0.02 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1nr3 h LEU 67 Cb 1.22 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 1nr3 h LEU 67 CO 0.11 -0.03 -0.20 -0.07 0.09 0.00 0.00 178.44 178.34 1nr3 h LEU 68 N -0.14 -0.73 -1.74 1.67 3.38 -1.35 1.70 115.31 118.09 1nr3 h LEU 68 Ca -0.01 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1nr3 h LEU 68 Cb 0.12 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1nr3 h LEU 68 CO 0.02 -0.24 0.58 -0.33 0.09 0.00 0.00 178.44 178.56 1nr3 h GLU 69 N -0.04 0.00 0.06 1.13 4.39 -1.44 2.70 114.58 121.38 1nr3 h GLU 69 Ca 0.30 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.63 1nr3 h GLU 69 Cb 0.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1nr3 h GLU 69 CO -0.68 0.00 -2.12 0.39 -1.16 0.00 0.00 179.01 175.45 1nr3 n GLU 70 N -3.44 0.68 -0.03 2.33 -0.58 0.52 -4.06 120.64 116.07 1nr3 n GLU 70 Ca 0.08 0.27 -0.01 0.00 -0.42 0.00 0.00 57.16 57.07 1nr3 n GLU 70 Cb 0.75 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1nr3 n GLU 70 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1nr3 h SER 71 N -0.19 0.00 -1.93 1.62 0.87 0.29 -3.33 113.55 110.88 1nr3 h SER 71 Ca -0.49 0.00 0.56 0.00 -1.23 0.00 0.00 61.79 60.63 1nr3 h SER 71 Cb 1.86 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.74 1nr3 h SER 71 CO -0.06 0.29 1.39 -3.20 -0.53 0.00 0.00 176.83 174.72 1nr3 n ASN 72 N -3.20 0.01 0.28 6.23 5.15 0.88 0.20 115.26 124.80 1nr3 n ASN 72 Ca -0.02 0.98 -0.16 0.00 -0.60 0.00 0.00 54.58 54.78 1nr3 n ASN 72 Cb 0.09 -0.49 -0.08 0.00 -0.53 0.00 0.00 39.78 38.76 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1nr3 h LYS 73 N 0.00 -0.64 -0.19 1.20 3.11 -1.56 -2.71 116.57 115.77 1nr3 h LYS 73 Ca 0.92 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.81 1nr3 h LYS 73 Cb 3.70 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 35.07 1nr3 h LYS 73 CO -0.02 -0.40 0.00 -0.85 -2.81 0.00 0.00 179.45 175.37 1nr3 n GLU 74 N -5.35 1.91 -2.83 1.90 -0.00 0.50 -4.91 120.64 111.86 1nr3 n GLU 74 Ca -0.12 -1.36 -0.10 0.00 -0.00 0.00 0.00 57.16 55.58 1nr3 n GLU 74 Cb 0.29 -1.43 -0.02 0.00 -0.00 0.00 0.00 31.44 30.28 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 1.22 3.95 3.92 -1.84 0.00 0.52 -5.05 105.19 107.90 1nr3 n GLY 75 Ca 0.17 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.72 5.03 -0.84 -0.61 1.10 -1.26 -4.67 121.20 118.24 1nr3 s ILE 76 Ca 0.02 -0.11 -0.27 0.00 -0.51 0.00 0.00 60.65 59.77 1nr3 s ILE 76 Cb 0.00 -3.81 -0.18 0.00 0.15 0.00 0.00 42.46 38.62 1nr3 s ILE 76 CO 0.01 -0.54 2.56 1.41 -2.11 0.00 0.00 174.94 176.28 1nr3 n HIS 77 N -1.57 0.80 -4.20 3.50 8.25 -1.26 -4.70 115.22 116.04 1nr3 n HIS 77 Ca -0.02 0.25 -0.16 0.00 -0.26 0.00 0.00 57.72 57.53 1nr3 n HIS 77 Cb 0.55 -2.32 -0.14 0.00 1.12 0.00 0.00 29.99 29.20 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 9.52 0.51 -0.54 1.59 1.01 -1.26 -4.93 120.40 126.30 1nr3 s VAL 78 Ca 1.22 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1nr3 s VAL 78 Cb -0.85 -0.44 0.40 0.00 0.00 0.00 0.00 36.38 35.49 1nr3 s VAL 78 CO 0.41 0.09 1.30 2.30 0.00 0.00 0.00 175.10 179.20 1nr3 n ILE 79 N 2.79 2.69 -2.57 2.22 -5.35 -1.26 -4.83 119.36 113.04 1nr3 n ILE 79 Ca -0.14 -4.84 -0.27 0.00 -0.27 0.00 0.00 62.75 57.23 1nr3 n ILE 79 Cb 0.58 -1.27 0.01 0.00 -1.74 0.00 0.00 39.64 37.21 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 -3.66 3.48 0.30 4.28 3.76 -1.26 -4.45 115.29 117.75 1nr3 s HIS 80 Ca 0.49 0.77 0.09 0.00 -0.15 0.00 0.00 55.06 56.25 1nr3 s HIS 80 Cb 0.40 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1nr3 s HIS 80 CO -0.23 -0.42 0.08 -0.51 -0.85 0.00 0.00 174.74 172.81 1nr3 s ASP 81 N -4.16 4.67 0.44 1.40 -0.00 -1.26 -4.83 116.67 112.93 1nr3 s ASP 81 Ca 0.49 -0.68 0.13 0.00 -0.00 0.00 0.00 52.55 52.48 1nr3 s ASP 81 Cb -0.10 -0.82 1.03 0.00 -0.00 0.00 0.00 42.92 43.02 1nr3 s ASP 81 CO 0.45 -0.15 2.03 0.77 -0.00 0.00 0.00 175.17 178.27 1nr3 h SER 82 N 1.69 0.33 -0.45 0.27 4.64 -1.91 1.38 113.55 119.51 1nr3 h SER 82 Ca -0.44 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1nr3 h SER 82 Cb 1.25 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1nr3 h SER 82 CO 0.62 0.22 -0.21 0.40 -0.87 0.00 0.00 176.83 176.99 1nr3 h ILE 83 N 0.38 1.27 0.05 0.95 2.04 -1.96 -1.81 117.51 118.44 1nr3 h ILE 83 Ca 0.20 -1.37 -0.24 0.00 1.00 0.00 0.00 64.86 64.46 1nr3 h ILE 83 Cb 0.32 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1nr3 h ILE 83 CO -0.05 0.47 -1.05 0.74 0.00 0.00 0.00 178.15 178.26 1nr3 h THR 84 N 0.78 1.49 -0.87 -0.27 2.02 -1.43 -3.17 112.91 111.45 1nr3 h THR 84 Ca 0.10 -2.82 0.01 0.00 0.77 0.00 0.00 66.41 64.47 1nr3 h THR 84 Cb 0.79 2.68 -0.04 0.00 -1.74 0.00 0.00 68.15 69.83 1nr3 h THR 84 CO 0.06 0.83 0.58 -0.07 0.37 0.00 0.00 175.52 177.29 1nr3 h LEU 85 N 0.11 0.99 -0.20 2.58 4.07 0.19 1.66 115.31 124.72 1nr3 h LEU 85 Ca -0.09 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.87 1nr3 h LEU 85 Cb 1.73 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 1nr3 h LEU 85 CO 0.17 0.71 0.08 0.00 -1.08 0.00 0.00 178.44 178.32 1nr3 h ALA 86 N 1.33 0.23 0.03 1.53 0.00 -1.34 1.03 119.26 122.06 1nr3 h ALA 86 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nr3 h ALA 86 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nr3 h ALA 86 CO -0.08 -0.34 -0.01 0.35 0.00 0.00 0.00 179.25 179.17 1nr3 h PHE 87 N 0.19 -0.04 -0.83 0.00 3.04 -1.36 0.36 116.94 118.29 1nr3 h PHE 87 Ca 0.08 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.11 1nr3 h PHE 87 Cb 0.03 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.50 1nr3 h PHE 87 CO -0.10 0.50 0.54 -0.07 -2.02 0.00 0.00 178.31 177.16 1nr3 h LEU 88 N -0.60 0.76 0.01 0.59 4.07 0.25 -2.03 115.31 118.35 1nr3 h LEU 88 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1nr3 h LEU 88 Cb 0.56 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1nr3 h LEU 88 CO 0.01 0.46 -0.01 0.40 -1.08 0.00 0.00 178.44 178.22 1nr3 h ILE 89 N 0.85 1.48 -1.39 1.22 1.08 0.12 -3.15 117.51 117.72 1nr3 h ILE 89 Ca 0.37 -1.55 0.47 0.00 -0.39 0.00 0.00 64.86 63.77 1nr3 h ILE 89 Cb 0.35 2.52 -0.13 0.00 -3.07 0.00 0.00 36.82 36.49 1nr3 h ILE 89 CO -0.15 0.40 0.90 0.54 -0.69 0.00 0.00 178.15 179.15 1nr3 n ARG 90 N -4.78 -0.03 -0.07 2.37 1.74 0.13 0.30 116.66 116.31 1nr3 n ARG 90 Ca -0.09 1.21 -0.13 0.00 -0.77 0.00 0.00 57.85 58.08 1nr3 n ARG 90 Cb 0.33 -2.41 -0.06 0.00 -1.02 0.00 0.00 32.46 29.30 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 0.48 -0.04 5.56 4.39 -1.42 1.05 114.58 124.60 1nr3 h GLU 91 Ca 0.86 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 60.33 1nr3 h GLU 91 Cb 2.83 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.48 1nr3 h GLU 91 CO -0.42 0.79 0.00 0.36 -1.16 0.00 0.00 179.01 178.57 1nr3 n LYS 92 N -4.49 1.63 -2.69 2.33 -0.00 0.68 -4.53 118.16 111.09 1nr3 n LYS 92 Ca -0.05 -0.92 -0.03 0.00 -0.00 0.00 0.00 58.31 57.32 1nr3 n LYS 92 Cb 0.37 -1.46 0.03 0.00 -0.00 0.00 0.00 35.03 33.96 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nr3 s ALA 93 N -1.96 -4.36 -2.00 0.58 0.00 0.87 -4.99 121.76 109.90 1nr3 s ALA 93 Ca 0.37 0.61 0.19 0.00 0.00 0.00 0.00 51.96 53.13 1nr3 s ALA 93 Cb 0.20 -2.97 1.14 0.00 0.00 0.00 0.00 23.12 21.49 1nr3 s ALA 93 CO 0.32 -2.51 1.72 -1.13 0.00 0.00 0.00 175.76 174.16 1nr3 n SER 94 N 2.73 0.00 0.00 0.00 3.41 0.36 -3.48 113.62 116.65 1nr3 n SER 94 Ca 0.11 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1nr3 n SER 94 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.81 0.00 -3.10 7.33 8.25 -1.26 -4.86 115.22 120.78 1nr3 n HIS 95 Ca 0.14 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.17 1nr3 n HIS 95 Cb 0.07 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 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 0.00 3.13 0.43 -0.41 0.52 -1.26 -5.03 118.95 116.33 1nr3 s ARG 96 Ca 0.00 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.37 1nr3 s ARG 96 Cb 0.00 -4.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 1nr3 s ARG 96 CO 0.00 -1.34 0.25 0.42 0.02 0.00 0.00 175.30 174.65 1nr3 s ILE 97 N 2.85 2.29 0.05 1.52 1.09 -1.26 -4.94 121.20 122.80 1nr3 s ILE 97 Ca 0.16 -1.59 -0.00 0.00 -1.10 0.00 0.00 60.65 58.12 1nr3 s ILE 97 Cb -0.19 -2.88 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1nr3 s ILE 97 CO 0.11 0.00 0.19 0.54 -0.10 0.00 0.00 174.94 175.68 1nr3 s VAL 98 N -2.60 5.29 0.09 2.92 0.11 -1.26 -5.10 120.40 119.85 1nr3 s VAL 98 Ca 0.41 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1nr3 s VAL 98 Cb 0.01 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1nr3 s VAL 98 CO 0.23 0.17 0.01 1.41 -3.33 0.00 0.00 175.10 173.60 1nr3 n HIS 99 N 0.44 0.15 -3.75 1.54 8.25 -1.26 -4.63 115.22 115.96 1nr3 n HIS 99 Ca -0.07 -0.48 -0.12 0.00 -0.26 0.00 0.00 57.72 56.79 1nr3 n HIS 99 Cb 0.51 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 1nr3 n HIS 99 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1nr3 s ARG 100 N -2.33 0.31 0.11 -0.41 1.04 -1.26 -4.93 118.95 111.49 1nr3 s ARG 100 Ca 0.02 0.49 0.10 0.00 -1.04 0.00 0.00 55.73 55.29 1nr3 s ARG 100 Cb 0.00 0.06 -0.04 0.00 -2.04 0.00 0.00 34.95 32.93 1nr3 s ARG 100 CO 0.01 -0.09 -0.21 0.54 -0.04 0.00 0.00 175.30 175.51 1nr3 s VAL 101 N 0.64 2.62 -0.57 4.99 0.11 -1.26 -4.96 120.40 121.98 1nr3 s VAL 101 Ca -0.04 -1.57 0.06 0.00 -2.93 0.00 0.00 61.98 57.51 1nr3 s VAL 101 Cb -0.05 -2.18 0.29 0.00 -1.53 0.00 0.00 36.38 32.91 1nr3 s VAL 101 CO -0.04 0.12 0.79 0.52 -3.33 0.00 0.00 175.10 173.16 1nr3 n VAL 102 N 0.91 2.06 0.00 2.04 0.31 -1.26 -2.58 118.33 119.80 1nr3 n VAL 102 Ca -0.16 -5.16 0.00 0.00 -0.01 0.00 0.00 64.34 59.00 1nr3 n VAL 102 Cb 0.53 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.48 0.00 -4.43 5.55 0.00 -1.26 -4.79 118.16 113.71 1nr3 n LYS 103 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.38 1nr3 n LYS 103 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.38 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1nr3 s SER 104 N -1.33 2.22 -0.01 3.14 0.15 -1.26 -5.03 113.70 111.58 1nr3 s SER 104 Ca 0.00 -1.62 -0.20 0.00 0.70 0.00 0.00 55.95 54.83 1nr3 s SER 104 Cb 0.00 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1nr3 s SER 104 CO 0.00 -0.91 0.57 -0.62 1.20 0.00 0.00 173.24 173.48 1nr3 s ASP 105 N -3.50 6.94 0.29 5.45 -1.08 -1.26 -4.44 116.67 119.08 1nr3 s ASP 105 Ca 0.30 1.12 0.02 0.00 -0.52 0.00 0.00 52.55 53.48 1nr3 s ASP 105 Cb 0.04 -2.35 -0.06 0.00 -1.46 0.00 0.00 42.92 39.10 1nr3 s ASP 105 CO 0.17 0.12 0.08 0.12 0.52 0.00 0.00 175.17 176.18 1nr3 s PHE 106 N -0.23 1.73 -0.13 -5.34 5.36 0.28 -4.17 117.98 115.48 1nr3 s PHE 106 Ca 0.30 -1.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.01 1nr3 s PHE 106 Cb -0.18 -1.07 0.04 0.00 -0.34 0.00 0.00 43.02 41.47 1nr3 s PHE 106 CO 0.16 -0.20 0.43 -1.21 -1.46 0.00 0.00 175.22 172.95 1nr3 s GLU 107 N -3.96 0.58 -0.03 10.12 2.02 0.27 -0.01 118.70 127.69 1nr3 s GLU 107 Ca 0.37 0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.76 1nr3 s GLU 107 Cb 0.08 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.59 1nr3 s GLU 107 CO 0.15 -0.10 0.08 0.42 0.02 0.00 0.00 175.26 175.83 1nr3 s ILE 108 N -0.17 0.01 0.17 -1.63 1.09 -0.49 -1.52 121.20 118.67 1nr3 s ILE 108 Ca -0.03 -0.08 -0.17 0.00 -1.10 0.00 0.00 60.65 59.26 1nr3 s ILE 108 Cb -0.03 -0.15 0.03 0.00 -1.06 0.00 0.00 42.46 41.25 1nr3 s ILE 108 CO 0.02 -0.05 0.49 -0.83 -0.10 0.00 0.00 174.94 174.47 1nr3 s GLY 109 N -0.11 -0.20 0.13 6.18 0.00 0.05 -0.79 107.32 112.59 1nr3 s GLY 109 Ca -0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 1nr3 s GLY 109 CO 0.00 -0.24 0.40 0.54 0.00 0.00 0.00 173.10 173.80 1nr3 s VAL 110 N -3.84 0.07 -0.03 1.40 0.11 0.45 0.14 120.40 118.70 1nr3 s VAL 110 Ca 0.06 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1nr3 s VAL 110 Cb 0.00 -1.25 -0.09 0.00 -1.53 0.00 0.00 36.38 33.51 1nr3 s VAL 110 CO -0.07 -0.31 0.10 0.35 -3.33 0.00 0.00 175.10 171.84 1nr3 n THR 111 N -0.23 0.18 0.04 5.04 -2.24 -1.24 -0.70 114.28 115.12 1nr3 n THR 111 Ca -0.15 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1nr3 n THR 111 Cb 0.63 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.94 0.00 0.00 -0.78 1.74 -1.26 -3.83 116.66 110.59 1nr3 n ARG 112 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1nr3 n ARG 112 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 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 -2.70 0.00 -0.01 0.55 2.03 -1.26 -4.87 116.55 110.29 1nr3 n ASP 113 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nr3 n ASP 113 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nr3 n ASP 113 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1nr3 h GLY 114 N 0.00 -0.02 -5.87 0.27 0.00 -1.96 -3.39 103.07 92.10 1nr3 h GLY 114 Ca 0.00 0.01 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1nr3 h GLY 114 CO 0.00 -0.01 0.23 -0.54 0.00 0.00 0.00 176.54 176.22 1nr3 s GLU 115 N -1.32 4.22 0.40 4.80 2.02 -1.26 -4.86 118.70 122.70 1nr3 s GLU 115 Ca -0.00 0.75 0.07 0.00 0.02 0.00 0.00 54.97 55.81 1nr3 s GLU 115 Cb 0.00 -3.59 -0.06 0.00 0.10 0.00 0.00 34.13 30.57 1nr3 s GLU 115 CO 0.01 -0.32 0.08 0.96 0.02 0.00 0.00 175.26 176.02 1nr3 s ILE 116 N 2.15 2.23 -0.00 -1.63 -5.25 -1.26 -3.61 121.20 113.83 1nr3 s ILE 116 Ca 0.31 -1.87 0.03 0.00 -0.99 0.00 0.00 60.65 58.14 1nr3 s ILE 116 Cb -0.16 -2.96 -0.01 0.00 2.95 0.00 0.00 42.46 42.28 1nr3 s ILE 116 CO 0.10 -0.03 -0.10 0.27 -1.79 0.00 0.00 174.94 173.38 1nr3 s ILE 117 N -2.63 0.82 0.10 8.37 -5.25 0.12 -4.96 121.20 117.77 1nr3 s ILE 117 Ca 0.38 -0.52 0.05 0.00 -0.99 0.00 0.00 60.65 59.57 1nr3 s ILE 117 Cb 0.06 -0.70 -0.03 0.00 2.95 0.00 0.00 42.46 44.73 1nr3 s ILE 117 CO 0.20 0.18 -0.12 0.68 -1.79 0.00 0.00 174.94 174.09 1nr3 s VAL 118 N -0.35 1.12 0.21 8.37 -7.23 -1.26 -0.77 120.40 120.49 1nr3 s VAL 118 Ca 0.03 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 1nr3 s VAL 118 Cb -0.05 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.59 1nr3 s VAL 118 CO -0.00 -0.43 0.75 -0.62 -0.31 0.00 0.00 175.10 174.48 1nr3 s ASP 119 N -2.29 -0.33 0.00 4.85 -1.08 -0.57 -4.94 116.67 112.31 1nr3 s ASP 119 Ca 0.05 -0.38 0.08 0.00 -0.52 0.00 0.00 52.55 51.78 1nr3 s ASP 119 Cb -0.05 0.63 0.13 0.00 -1.46 0.00 0.00 42.92 42.16 1nr3 s ASP 119 CO 0.02 -1.12 0.92 0.00 0.52 0.00 0.00 175.17 175.50 1nr3 n LEU 120 N -0.43 2.06 -1.66 -1.34 -0.00 -1.26 0.96 117.00 115.33 1nr3 n LEU 120 Ca -0.08 -1.35 0.00 0.00 -0.00 0.00 0.00 56.01 54.58 1nr3 n LEU 120 Cb 0.61 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1nr3 n LEU 120 CO 0.14 0.46 -0.48 -3.20 -0.00 0.00 0.00 177.39 174.31 1nr3 n ASN 121 N 0.41 -8.94 0.00 1.45 2.85 -1.26 -4.20 115.26 105.56 1nr3 n ASN 121 Ca 0.06 1.38 0.00 0.00 -0.11 0.00 0.00 54.58 55.91 1nr3 n ASN 121 Cb 0.27 -5.10 0.00 0.00 1.24 0.00 0.00 39.78 36.19 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91