#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 0.00 -1.41 0.03 0.00 -1.26 -5.12 116.66 108.90 1nr3 n ARG 2 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.85 57.32 1nr3 n ARG 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1nr3 n ARG 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1nr3 n GLU 3 N -2.39 0.00 0.00 -0.14 0.28 -1.26 -4.52 120.64 112.62 1nr3 n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nr3 n GLU 3 Cb 0.00 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.58 1nr3 n GLU 3 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1nr3 n ARG 4 N 1.29 0.00 0.00 3.44 1.85 -1.26 -4.97 116.66 117.01 1nr3 n ARG 4 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1nr3 n ARG 4 Cb 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.54 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 0.00 -0.08 2.69 2.89 0.00 -1.26 -4.60 105.19 104.84 1nr3 n GLY 5 Ca 0.00 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 2.78 -0.11 1.61 4.27 -1.26 -4.49 117.44 120.24 1nr3 n TRP 6 Ca 0.00 -2.50 -0.20 0.00 -3.89 0.00 0.00 57.50 50.91 1nr3 n TRP 6 Cb 0.00 -1.25 -0.08 0.00 -1.36 0.00 0.00 31.31 28.63 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 -0.03 1.92 -2.42 -0.67 2.88 -1.26 -4.94 113.62 109.10 1nr3 n SER 7 Ca 0.50 0.39 -0.03 0.00 -1.33 0.00 0.00 58.87 58.40 1nr3 n SER 7 Cb 0.26 -0.83 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 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 -4.38 0.16 0.08 -1.46 0.00 -1.26 -4.98 117.38 105.53 1nr3 n GLN 8 Ca -0.35 -0.55 -0.03 0.00 0.00 0.00 0.00 57.00 56.07 1nr3 n GLN 8 Cb 0.68 0.01 -0.02 0.00 0.00 0.00 0.00 30.24 30.92 1nr3 n GLN 8 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1nr3 h LYS 9 N 0.89 -0.21 0.00 2.61 6.56 -1.92 -3.49 116.57 121.02 1nr3 h LYS 9 Ca -0.47 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1nr3 h LYS 9 Cb 1.19 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1nr3 h LYS 9 CO -0.17 -0.14 0.00 1.17 -2.06 0.00 0.00 179.45 178.25 1nr3 n LYS 10 N -2.74 0.00 0.00 3.15 4.81 -1.26 -4.90 118.16 117.22 1nr3 n LYS 10 Ca -0.03 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.52 1nr3 n LYS 10 Cb 0.08 0.00 0.64 0.00 0.02 0.00 0.00 35.03 35.77 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 -0.88 0.05 -0.32 3.15 5.41 -1.26 -3.56 119.36 121.95 1nr3 n ILE 11 Ca 0.00 0.01 0.22 0.00 1.00 0.00 0.00 62.75 63.98 1nr3 n ILE 11 Cb 0.00 -0.67 0.44 0.00 -0.71 0.00 0.00 39.64 38.70 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 1.79 0.11 -1.39 0.00 -1.94 0.45 119.26 121.61 1nr3 h ALA 12 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1nr3 h ALA 12 Cb 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1nr3 h ALA 12 CO 0.00 -0.60 -0.27 0.07 0.00 0.00 0.00 179.25 178.45 1nr3 h ARG 13 N 0.24 -0.46 -0.05 0.00 0.11 -1.94 0.37 114.38 112.65 1nr3 h ARG 13 Ca 0.70 0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.83 1nr3 h ARG 13 Cb 1.60 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.79 1nr3 h ARG 13 CO -0.66 -0.31 0.04 1.49 0.10 0.00 0.00 179.97 180.64 1nr3 h GLU 14 N -0.48 0.00 0.09 0.08 4.81 -0.48 -1.59 114.58 117.01 1nr3 h GLU 14 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nr3 h GLU 14 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1nr3 h GLU 14 CO -0.17 0.00 -0.04 1.25 -0.73 0.00 0.00 179.01 179.32 1nr3 h LEU 15 N 0.00 -0.10 -1.50 1.64 6.46 0.80 -3.09 115.31 119.52 1nr3 h LEU 15 Ca 0.02 -0.47 0.19 0.00 -0.12 0.00 0.00 57.88 57.50 1nr3 h LEU 15 Cb 0.11 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1nr3 h LEU 15 CO -0.00 0.47 0.58 0.50 -0.62 0.00 0.00 178.44 179.37 1nr3 h LYS 16 N -0.71 0.41 0.00 1.25 3.64 0.38 0.83 116.57 122.38 1nr3 h LYS 16 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1nr3 h LYS 16 Cb 0.56 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1nr3 h LYS 16 CO 0.02 0.27 -0.03 1.15 -2.27 0.00 0.00 179.45 178.60 1nr3 h THR 17 N 0.43 0.74 -0.26 1.00 2.02 -1.23 -3.42 112.91 112.18 1nr3 h THR 17 Ca 0.45 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1nr3 h THR 17 Cb 1.09 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1nr3 h THR 17 CO -0.17 0.03 0.00 1.07 0.37 0.00 0.00 175.52 176.81 1nr3 n THR 18 N -4.10 0.00 -1.72 3.16 5.66 0.29 -4.86 114.28 112.70 1nr3 n THR 18 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1nr3 n THR 18 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 0.00 0.00 -0.62 1.09 0.63 -1.26 -4.92 116.66 111.58 1nr3 n ARG 19 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1nr3 n ARG 19 Cb 0.00 -2.16 -0.02 0.00 0.45 0.00 0.00 32.46 30.73 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 -0.62 1.42 -1.93 -0.14 1.13 -1.26 -3.89 117.38 112.09 1nr3 n GLN 20 Ca 0.00 -1.28 -0.16 0.00 -1.94 0.00 0.00 57.00 53.63 1nr3 n GLN 20 Cb 0.37 -2.42 -0.03 0.00 0.11 0.00 0.00 30.24 28.27 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 5.13 -4.81 -4.20 1.08 3.02 -1.26 -4.91 115.26 109.30 1nr3 n ASN 21 Ca 0.35 0.17 -0.44 0.00 -0.03 0.00 0.00 54.58 54.63 1nr3 n ASN 21 Cb 0.16 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1nr3 n VAL 22 N -3.36 4.87 0.00 2.41 3.14 -1.25 -4.64 118.33 119.50 1nr3 n VAL 22 Ca -0.17 -5.61 0.00 0.00 -2.96 0.00 0.00 64.34 55.59 1nr3 n VAL 22 Cb 0.59 -2.38 0.00 0.00 -1.06 0.00 0.00 33.84 30.99 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 2.11 0.00 -3.80 6.55 2.88 -1.26 -4.68 113.62 115.41 1nr3 n SER 23 Ca 0.25 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.54 1nr3 n SER 23 Cb 0.37 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.00 -1.82 0.02 -1.46 0.00 -1.26 -4.57 120.51 111.42 1nr3 n ALA 24 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 1nr3 n ALA 24 Cb 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.64 1.33 -0.16 0.00 2.04 -1.97 -0.87 117.51 117.25 1nr3 h ILE 25 Ca -0.43 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 63.57 1nr3 h ILE 25 Cb 0.88 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1nr3 h ILE 25 CO 0.39 0.56 -0.04 1.05 0.00 0.00 0.00 178.15 180.10 1nr3 h GLU 26 N 0.37 0.31 0.38 2.37 4.11 -1.98 0.20 114.58 120.33 1nr3 h GLU 26 Ca 0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1nr3 h GLU 26 Cb 1.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1nr3 h GLU 26 CO 0.10 0.59 -0.18 -0.09 0.07 0.00 0.00 179.01 179.50 1nr3 h ARG 27 N 0.00 -0.49 0.41 1.06 2.43 -1.91 0.10 114.38 115.98 1nr3 h ARG 27 Ca 0.04 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1nr3 h ARG 27 Cb 0.48 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1nr3 h ARG 27 CO 0.02 -0.26 -0.36 0.87 -1.51 0.00 0.00 179.97 178.72 1nr3 h LYS 28 N -0.62 -0.75 -0.38 0.20 6.56 -1.19 0.39 116.57 120.78 1nr3 h LYS 28 Ca -0.05 0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 1nr3 h LYS 28 Cb 0.46 0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 32.22 1nr3 h LYS 28 CO 0.09 -0.50 -0.47 0.00 -2.06 0.00 0.00 179.45 176.50 1nr3 h ALA 29 N -0.35 -0.69 0.00 3.86 0.00 -0.58 1.12 119.26 122.61 1nr3 h ALA 29 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nr3 h ALA 29 Cb 0.69 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1nr3 h ALA 29 CO -0.04 -0.92 0.04 0.52 0.00 0.00 0.00 179.25 178.85 1nr3 h MET 30 N -0.31 0.00 -1.99 0.00 2.86 -0.77 -1.81 114.93 112.91 1nr3 h MET 30 Ca 0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1nr3 h MET 30 Cb 0.49 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1nr3 h MET 30 CO -0.52 0.00 -0.24 0.39 1.06 0.00 0.00 176.91 177.60 1nr3 n GLU 31 N -2.88 1.69 -3.39 1.72 -0.58 0.38 -4.65 120.64 112.93 1nr3 n GLU 31 Ca -0.03 -0.72 -0.22 0.00 -0.42 0.00 0.00 57.16 55.77 1nr3 n GLU 31 Cb 0.10 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.27 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 2.11 -2.85 -4.54 1.62 4.13 -1.09 -4.84 115.26 109.81 1nr3 n ASN 32 Ca 0.29 -0.37 -0.34 0.00 1.68 0.00 0.00 54.58 55.85 1nr3 n ASN 32 Cb 0.77 -2.41 0.11 0.00 -1.54 0.00 0.00 39.78 36.71 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 -3.67 1.31 -2.07 2.41 3.06 -0.70 -4.93 119.36 114.77 1nr3 n ILE 33 Ca 0.01 -0.26 -0.01 0.00 -2.50 0.00 0.00 62.75 59.99 1nr3 n ILE 33 Cb 0.52 -0.88 0.01 0.00 0.54 0.00 0.00 39.64 39.83 1nr3 n ILE 33 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1nr3 n GLU 34 N -2.02 0.16 -2.21 9.51 0.28 -1.26 -5.00 120.64 120.11 1nr3 n GLU 34 Ca 0.10 -0.27 -0.04 0.00 -0.16 0.00 0.00 57.16 56.79 1nr3 n GLU 34 Cb 0.51 0.31 0.01 0.00 1.43 0.00 0.00 31.44 33.70 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1nr3 n LYS 35 N -0.19 -1.26 0.00 3.44 5.02 -1.26 -5.01 118.16 118.90 1nr3 n LYS 35 Ca -0.06 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.59 1nr3 n LYS 35 Cb 0.47 -3.69 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 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 -0.38 0.00 -0.19 4.39 7.64 -1.26 -4.90 113.62 118.91 1nr3 n SER 36 Ca 0.06 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.89 1nr3 n SER 36 Cb 0.24 0.24 0.12 0.00 -1.01 0.00 0.00 64.21 63.80 1nr3 n SER 36 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1nr3 h ARG 37 N 0.00 0.99 -3.93 1.43 2.47 -2.01 -3.46 114.38 109.87 1nr3 h ARG 37 Ca 0.00 -0.22 -0.37 0.00 -1.26 0.00 0.00 59.98 58.13 1nr3 h ARG 37 Cb 0.00 -0.14 0.05 0.00 -1.65 0.00 0.00 29.97 28.23 1nr3 h ARG 37 CO 0.00 0.87 -0.55 0.09 0.56 0.00 0.00 179.97 180.95 1nr3 n ASN 38 N -4.25 -5.73 0.00 7.04 3.02 -1.26 -4.95 115.26 109.13 1nr3 n ASN 38 Ca 0.05 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1nr3 n ASN 38 Cb 0.24 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 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 -4.36 0.00 -0.20 3.41 -1.04 -1.26 -1.43 114.28 109.39 1nr3 n THR 39 Ca -0.12 0.23 0.31 0.00 -2.04 0.00 0.00 64.05 62.42 1nr3 n THR 39 Cb 0.62 -0.49 0.69 0.00 -1.82 0.00 0.00 70.33 69.34 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 0.47 -4.42 -0.00 -1.93 0.31 115.31 109.74 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 -0.23 -0.78 -0.00 0.00 0.00 178.44 177.43 1nr3 h ASP 41 N 0.00 -0.53 -0.88 0.17 1.82 -1.93 0.41 116.42 115.48 1nr3 h ASP 41 Ca 0.46 -0.08 0.22 0.00 -0.39 0.00 0.00 57.03 57.24 1nr3 h ASP 41 Cb 2.13 0.14 -0.06 0.00 0.68 0.00 0.00 39.33 42.23 1nr3 h ASP 41 CO -0.00 -0.16 0.60 0.15 -1.61 0.00 0.00 179.24 178.21 1nr3 h PHE 42 N -0.97 0.36 0.00 0.28 3.04 0.76 0.96 116.94 121.37 1nr3 h PHE 42 Ca -0.06 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1nr3 h PHE 42 Cb 0.59 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1nr3 h PHE 42 CO 0.01 0.09 -0.55 -0.24 -2.02 0.00 0.00 178.31 175.60 1nr3 h VAL 43 N 0.27 0.27 -0.36 1.41 3.04 -1.15 -3.29 116.25 116.44 1nr3 h VAL 43 Ca 0.45 -1.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.65 1nr3 h VAL 43 Cb 1.32 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.57 1nr3 h VAL 43 CO -0.12 0.16 -0.01 0.07 -1.01 0.00 0.00 177.57 176.66 1nr3 h LYS 44 N 0.00 0.64 -0.87 4.17 5.09 0.55 -2.88 116.57 123.26 1nr3 h LYS 44 Ca -0.02 -0.21 0.23 0.00 0.09 0.00 0.00 60.65 60.74 1nr3 h LYS 44 Cb 1.17 -0.05 -0.14 0.00 0.10 0.00 0.00 32.23 33.30 1nr3 h LYS 44 CO 0.02 0.75 0.20 1.03 -2.09 0.00 0.00 179.45 179.36 1nr3 h SER 45 N 0.44 -0.08 -0.96 7.07 0.87 -1.34 0.63 113.55 120.19 1nr3 h SER 45 Ca 0.10 0.20 0.38 0.00 -1.23 0.00 0.00 61.79 61.24 1nr3 h SER 45 Cb 0.47 0.29 -0.17 0.00 -0.44 0.00 0.00 62.40 62.55 1nr3 h SER 45 CO 0.02 -0.18 0.43 0.18 -0.53 0.00 0.00 176.83 176.75 1nr3 n LEU 46 N -5.26 0.26 -4.09 2.23 4.77 -1.09 -4.68 117.00 109.14 1nr3 n LEU 46 Ca 0.21 1.61 -0.34 0.00 -0.03 0.00 0.00 56.01 57.45 1nr3 n LEU 46 Cb 0.67 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1nr3 n LEU 46 CO 0.05 -1.77 -0.10 2.29 -1.33 0.00 0.00 177.39 176.53 1nr3 n LYS 47 N -5.22 -1.72 -1.89 3.23 2.85 0.22 -4.82 118.16 110.80 1nr3 n LYS 47 Ca 0.34 0.19 -0.38 0.00 -1.05 0.00 0.00 58.31 57.41 1nr3 n LYS 47 Cb 1.16 -4.80 0.03 0.00 -0.65 0.00 0.00 35.03 30.76 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1nr3 s SER 48 N -3.03 5.58 0.47 -5.58 0.01 -1.26 -3.71 113.70 106.18 1nr3 s SER 48 Ca 0.66 2.69 -0.21 0.00 1.31 0.00 0.00 55.95 60.40 1nr3 s SER 48 Cb -0.38 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.13 1nr3 s SER 48 CO 0.82 -1.36 1.04 -2.16 0.41 0.00 0.00 173.24 171.99 1nr3 s PRO 49 N -2.77 3.87 0.15 12.44 0.04 -1.20 -4.42 135.00 143.10 1nr3 s PRO 49 Ca 0.68 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1nr3 s PRO 49 Cb -0.38 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1nr3 s PRO 49 CO 0.46 -0.38 0.46 0.08 0.04 0.00 0.00 177.00 177.67 1nr3 s VAL 50 N -1.92 0.05 -0.25 -0.36 1.01 0.72 -4.97 120.40 114.67 1nr3 s VAL 50 Ca 0.66 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1nr3 s VAL 50 Cb -0.17 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1nr3 s VAL 50 CO 0.21 -0.21 0.67 -0.60 0.00 0.00 0.00 175.10 175.17 1nr3 s ARG 51 N -3.82 0.78 -0.10 2.72 3.52 -1.26 -0.75 118.95 120.04 1nr3 s ARG 51 Ca 0.04 0.94 -0.24 0.00 -0.13 0.00 0.00 55.73 56.34 1nr3 s ARG 51 Cb 0.01 0.37 0.06 0.00 -1.56 0.00 0.00 34.95 33.82 1nr3 s ARG 51 CO -0.10 -0.10 0.58 0.96 -0.81 0.00 0.00 175.30 175.83 1nr3 s ILE 52 N 0.42 0.01 0.16 4.11 -4.36 -0.43 -4.66 121.20 116.45 1nr3 s ILE 52 Ca -0.00 -0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.21 1nr3 s ILE 52 Cb -0.05 -0.87 -0.06 0.00 1.25 0.00 0.00 42.46 42.74 1nr3 s ILE 52 CO -0.00 -0.06 0.43 -0.22 0.24 0.00 0.00 174.94 175.34 1nr3 s LEU 53 N -0.74 4.25 -0.14 0.37 0.20 -1.26 -1.46 118.68 119.91 1nr3 s LEU 53 Ca -0.08 0.73 0.02 0.00 0.69 0.00 0.00 54.13 55.49 1nr3 s LEU 53 Cb -0.02 -3.36 0.00 0.00 -0.43 0.00 0.00 46.19 42.38 1nr3 s LEU 53 CO 0.06 0.04 -0.20 0.00 -0.29 0.00 0.00 176.35 175.95 1nr3 n ARG 55 N 3.94 1.57 -1.64 0.00 1.74 -1.26 -1.55 116.66 119.46 1nr3 n ARG 55 Ca -0.19 -0.72 -0.52 0.00 -0.77 0.00 0.00 57.85 55.65 1nr3 n ARG 55 Cb 0.52 0.15 -0.06 0.00 -1.02 0.00 0.00 32.46 32.05 1nr3 n ARG 55 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1nr3 n ARG 56 N -0.47 1.41 -0.16 5.56 0.00 -1.26 -4.64 116.66 117.09 1nr3 n ARG 56 Ca -0.03 0.51 0.29 0.00 -0.00 0.00 0.00 57.85 58.62 1nr3 n ARG 56 Cb 0.13 -2.20 0.64 0.00 -0.00 0.00 0.00 32.46 31.03 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1nr3 h GLY 57 N 5.69 0.00 1.65 2.89 0.00 -1.86 1.69 103.07 113.12 1nr3 h GLY 57 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1nr3 h GLY 57 CO 0.85 0.00 0.03 -1.80 0.00 0.00 0.00 176.54 175.61 1nr3 h ASP 58 N 0.00 0.41 -0.60 0.19 3.58 -1.93 -0.83 116.42 117.25 1nr3 h ASP 58 Ca 0.43 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1nr3 h ASP 58 Cb 2.18 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1nr3 h ASP 58 CO -0.00 0.46 0.00 1.07 -2.88 0.00 0.00 179.24 177.89 1nr3 n THR 59 N -4.32 0.79 -0.20 2.25 5.66 0.57 -4.38 114.28 114.64 1nr3 n THR 59 Ca 0.01 -0.88 -0.01 0.00 -3.05 0.00 0.00 64.05 60.12 1nr3 n THR 59 Cb 0.21 0.66 0.09 0.00 -1.55 0.00 0.00 70.33 69.74 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 4.30 0.35 -0.45 1.09 5.85 -0.38 1.50 115.31 127.57 1nr3 h LEU 60 Ca 0.00 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1nr3 h LEU 60 Cb 0.97 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1nr3 h LEU 60 CO 0.00 0.22 -0.04 -2.24 -0.34 0.00 0.00 178.44 176.04 1nr3 h ASP 61 N 0.50 -0.26 0.11 1.25 -0.00 -1.76 0.50 116.42 116.75 1nr3 h ASP 61 Ca 0.29 0.12 -0.19 0.00 -0.00 0.00 0.00 57.03 57.25 1nr3 h ASP 61 Cb 0.28 0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.82 1nr3 h ASP 61 CO -0.24 -0.09 -0.69 -0.08 -0.00 0.00 0.00 179.24 178.14 1nr3 h GLU 62 N 0.07 0.53 0.00 4.15 4.81 -1.52 -2.85 114.58 119.77 1nr3 h GLU 62 Ca 0.22 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1nr3 h GLU 62 Cb 0.33 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1nr3 h GLU 62 CO -0.40 1.03 -0.04 0.82 -0.73 0.00 0.00 179.01 179.68 1nr3 h ILE 63 N 0.37 0.78 0.01 2.32 5.03 0.35 -1.55 117.51 124.83 1nr3 h ILE 63 Ca -0.02 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1nr3 h ILE 63 Cb 1.27 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.15 1nr3 h ILE 63 CO 0.13 0.04 -0.01 0.40 -0.68 0.00 0.00 178.15 178.03 1nr3 h ILE 64 N 0.00 1.09 -0.35 -0.67 5.03 0.17 0.90 117.51 123.68 1nr3 h ILE 64 Ca -0.00 -0.30 -0.04 0.00 -0.12 0.00 0.00 64.86 64.40 1nr3 h ILE 64 Cb 0.09 1.30 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 1nr3 h ILE 64 CO 0.01 0.08 0.06 0.07 -0.68 0.00 0.00 178.15 177.68 1nr3 h LYS 65 N -0.15 0.51 -0.05 2.37 2.10 -1.38 -1.64 116.57 118.33 1nr3 h LYS 65 Ca -0.00 -0.09 -0.17 0.00 -2.00 0.00 0.00 60.65 58.39 1nr3 h LYS 65 Cb 0.14 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1nr3 h LYS 65 CO 0.00 0.50 -0.71 0.00 -2.00 0.00 0.00 179.45 177.24 1nr3 h ARG 66 N 0.50 0.28 0.03 0.07 3.08 -0.78 -3.19 114.38 114.39 1nr3 h ARG 66 Ca 0.12 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1nr3 h ARG 66 Cb 0.24 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1nr3 h ARG 66 CO 0.00 0.88 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.69 1nr3 h LEU 67 N 0.19 -0.04 -0.67 3.04 3.38 0.17 -2.67 115.31 118.71 1nr3 h LEU 67 Ca -0.02 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1nr3 h LEU 67 Cb 1.27 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 1nr3 h LEU 67 CO 0.11 0.04 -0.19 -0.07 0.09 0.00 0.00 178.44 178.42 1nr3 h LEU 68 N -0.11 -0.69 -1.86 1.67 3.38 -1.38 1.85 115.31 118.17 1nr3 h LEU 68 Ca -0.00 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1nr3 h LEU 68 Cb 0.10 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1nr3 h LEU 68 CO 0.01 -0.23 0.51 -0.33 0.09 0.00 0.00 178.44 178.48 1nr3 h GLU 69 N -0.02 0.00 0.06 1.13 4.39 -1.47 2.60 114.58 121.28 1nr3 h GLU 69 Ca 0.31 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.64 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 -0.70 0.00 -2.15 0.39 -1.16 0.00 0.00 179.01 175.39 1nr3 n GLU 70 N -3.51 0.69 -0.02 2.33 -0.58 0.56 -4.01 120.64 116.11 1nr3 n GLU 70 Ca 0.07 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 57.05 1nr3 n GLU 70 Cb 0.67 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.11 0.00 -1.87 1.62 0.02 0.29 -3.31 113.55 110.20 1nr3 h SER 71 Ca -0.49 0.00 0.54 0.00 -0.84 0.00 0.00 61.79 61.00 1nr3 h SER 71 Cb 1.90 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.37 1nr3 h SER 71 CO -0.03 0.24 1.39 -1.13 -1.14 0.00 0.00 176.83 176.16 1nr3 h ASN 72 N -0.37 0.00 0.10 3.07 -1.24 0.42 2.22 115.58 119.79 1nr3 h ASN 72 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1nr3 h ASN 72 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1nr3 h ASN 72 CO 0.00 0.00 -0.05 0.11 -1.29 0.00 0.00 177.43 176.20 1nr3 h LYS 73 N 0.00 -0.13 -0.21 6.67 1.79 -1.58 -2.77 116.57 120.34 1nr3 h LYS 73 Ca 0.89 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.37 1nr3 h LYS 73 Cb 3.65 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 34.33 1nr3 h LYS 73 CO -0.01 0.02 0.00 -0.85 -1.08 0.00 0.00 179.45 177.53 1nr3 n GLU 74 N -5.09 2.14 -2.69 3.15 -0.00 0.62 -4.93 120.64 113.82 1nr3 n GLU 74 Ca -0.08 -1.69 -0.08 0.00 -0.00 0.00 0.00 57.16 55.30 1nr3 n GLU 74 Cb 0.13 -1.46 -0.02 0.00 -0.00 0.00 0.00 31.44 30.09 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 1.32 3.94 3.94 -1.84 0.00 0.58 -5.07 105.19 108.06 1nr3 n GLY 75 Ca 0.17 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.76 4.46 -0.76 -0.61 1.10 -1.26 -4.63 121.20 117.74 1nr3 s ILE 76 Ca 0.03 -0.39 -0.30 0.00 -0.51 0.00 0.00 60.65 59.49 1nr3 s ILE 76 Cb 0.00 -3.65 -0.16 0.00 0.15 0.00 0.00 42.46 38.80 1nr3 s ILE 76 CO 0.02 -0.47 2.56 1.41 -2.11 0.00 0.00 174.94 176.34 1nr3 n HIS 77 N -2.02 0.96 -4.26 3.50 8.25 -1.26 -4.66 115.22 115.73 1nr3 n HIS 77 Ca -0.01 0.28 -0.18 0.00 -0.26 0.00 0.00 57.72 57.56 1nr3 n HIS 77 Cb 0.57 -2.49 -0.15 0.00 1.12 0.00 0.00 29.99 29.04 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 10.10 0.58 -0.54 1.59 1.01 -1.26 -4.97 120.40 126.91 1nr3 s VAL 78 Ca 1.20 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.94 1nr3 s VAL 78 Cb -0.83 -0.51 0.40 0.00 0.00 0.00 0.00 36.38 35.44 1nr3 s VAL 78 CO 0.41 0.18 1.36 2.30 0.00 0.00 0.00 175.10 179.34 1nr3 n ILE 79 N 3.18 2.70 -2.36 2.22 -5.35 -1.26 -4.84 119.36 113.65 1nr3 n ILE 79 Ca -0.16 -4.73 -0.25 0.00 -0.27 0.00 0.00 62.75 57.34 1nr3 n ILE 79 Cb 0.56 -1.26 0.05 0.00 -1.74 0.00 0.00 39.64 37.25 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 -3.68 3.04 0.45 4.28 3.76 -1.26 -4.50 115.29 117.37 1nr3 s HIS 80 Ca 0.49 0.44 0.07 0.00 -0.15 0.00 0.00 55.06 55.91 1nr3 s HIS 80 Cb 0.41 -2.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1nr3 s HIS 80 CO -0.24 -1.09 0.26 -0.51 -0.85 0.00 0.00 174.74 172.32 1nr3 s ASP 81 N -4.42 4.58 0.33 1.40 -0.00 -1.26 -4.87 116.67 112.44 1nr3 s ASP 81 Ca 0.57 -1.09 0.10 0.00 -0.00 0.00 0.00 52.55 52.14 1nr3 s ASP 81 Cb -0.11 -0.23 0.58 0.00 -0.00 0.00 0.00 42.92 43.17 1nr3 s ASP 81 CO 0.44 -0.72 1.76 -1.28 -0.00 0.00 0.00 175.17 175.37 1nr3 h SER 82 N 1.18 0.08 0.29 0.27 0.87 -1.92 0.20 113.55 114.53 1nr3 h SER 82 Ca -0.41 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 59.92 1nr3 h SER 82 Cb 1.27 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1nr3 h SER 82 CO 0.65 0.49 -0.78 0.40 -0.53 0.00 0.00 176.83 177.06 1nr3 h ILE 83 N 0.07 1.39 0.02 2.23 2.04 -1.95 -2.94 117.51 118.36 1nr3 h ILE 83 Ca 0.00 -2.23 -0.21 0.00 1.00 0.00 0.00 64.86 63.42 1nr3 h ILE 83 Cb 0.77 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1nr3 h ILE 83 CO 0.06 0.67 -0.93 0.74 0.00 0.00 0.00 178.15 178.68 1nr3 h THR 84 N 0.26 1.48 -0.83 -0.27 2.02 -1.75 -3.03 112.91 110.80 1nr3 h THR 84 Ca -0.04 -2.65 0.03 0.00 0.77 0.00 0.00 66.41 64.52 1nr3 h THR 84 Cb 1.37 2.52 -0.05 0.00 -1.74 0.00 0.00 68.15 70.25 1nr3 h THR 84 CO 0.13 0.78 0.53 -0.07 0.37 0.00 0.00 175.52 177.26 1nr3 h LEU 85 N 0.13 0.89 -0.64 2.58 4.07 -0.56 1.77 115.31 123.55 1nr3 h LEU 85 Ca -0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 1nr3 h LEU 85 Cb 1.58 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 43.09 1nr3 h LEU 85 CO 0.15 0.62 0.21 0.00 -1.08 0.00 0.00 178.44 178.33 1nr3 h ALA 86 N 1.34 0.84 -0.01 1.53 0.00 -1.51 0.82 119.26 122.27 1nr3 h ALA 86 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nr3 h ALA 86 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1nr3 h ALA 86 CO -0.11 0.50 -0.02 0.35 0.00 0.00 0.00 179.25 179.97 1nr3 h PHE 87 N 0.92 0.03 -0.90 0.00 3.04 -1.14 0.41 116.94 119.29 1nr3 h PHE 87 Ca 0.21 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1nr3 h PHE 87 Cb 0.28 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 1nr3 h PHE 87 CO 0.02 0.63 0.50 -0.07 -2.02 0.00 0.00 178.31 177.37 1nr3 h LEU 88 N -0.58 1.12 0.08 0.59 4.07 0.27 -2.80 115.31 118.06 1nr3 h LEU 88 Ca -0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 1nr3 h LEU 88 Cb 0.63 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1nr3 h LEU 88 CO 0.00 0.89 -0.04 0.40 -1.08 0.00 0.00 178.44 178.62 1nr3 h ILE 89 N 1.26 1.16 -1.43 1.22 2.04 0.65 -2.99 117.51 119.41 1nr3 h ILE 89 Ca 0.32 -1.03 0.47 0.00 1.00 0.00 0.00 64.86 65.62 1nr3 h ILE 89 Cb 0.02 1.81 -0.12 0.00 -0.74 0.00 0.00 36.82 37.79 1nr3 h ILE 89 CO -0.05 0.25 0.95 0.54 0.00 0.00 0.00 178.15 179.84 1nr3 n ARG 90 N -4.92 -0.03 -0.05 2.37 1.74 0.14 0.33 116.66 116.25 1nr3 n ARG 90 Ca -0.09 1.15 -0.13 0.00 -0.77 0.00 0.00 57.85 58.01 1nr3 n ARG 90 Cb 0.25 -2.35 -0.08 0.00 -1.02 0.00 0.00 32.46 29.27 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 0.35 -0.08 5.56 4.39 -1.36 0.61 114.58 124.05 1nr3 h GLU 91 Ca 0.85 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 60.35 1nr3 h GLU 91 Cb 2.89 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 31.56 1nr3 h GLU 91 CO -0.35 0.78 0.00 0.36 -1.16 0.00 0.00 179.01 178.64 1nr3 n LYS 92 N -4.53 1.66 -2.70 2.33 -0.00 0.69 -4.48 118.16 111.12 1nr3 n LYS 92 Ca -0.07 -0.97 -0.04 0.00 -0.00 0.00 0.00 58.31 57.24 1nr3 n LYS 92 Cb 0.39 -1.44 0.03 0.00 -0.00 0.00 0.00 35.03 34.01 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nr3 n ALA 93 N 0.18 -3.09 1.96 0.58 0.00 1.00 -4.92 120.51 116.22 1nr3 n ALA 93 Ca 0.18 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.37 1nr3 n ALA 93 Cb 0.33 -2.65 0.61 0.00 0.00 0.00 0.00 19.45 17.74 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 2.60 0.00 0.00 0.00 3.41 0.21 -3.54 113.62 116.30 1nr3 n SER 94 Ca 0.13 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1nr3 n SER 94 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.83 0.00 -3.50 7.33 8.25 -1.26 -4.89 115.22 120.31 1nr3 n HIS 95 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 1nr3 n HIS 95 Cb 0.07 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 3.12 0.44 -0.41 0.52 -1.25 -5.06 118.95 116.30 1nr3 s ARG 96 Ca 0.00 -0.90 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1nr3 s ARG 96 Cb 0.00 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 1nr3 s ARG 96 CO 0.00 -0.64 0.14 0.42 0.02 0.00 0.00 175.30 175.24 1nr3 s ILE 97 N 1.67 2.04 0.09 1.52 1.09 -1.26 -4.82 121.20 121.53 1nr3 s ILE 97 Ca 0.05 -1.78 -0.04 0.00 -1.10 0.00 0.00 60.65 57.78 1nr3 s ILE 97 Cb -0.18 -2.82 -0.05 0.00 -1.06 0.00 0.00 42.46 38.35 1nr3 s ILE 97 CO 0.10 0.00 0.31 0.54 -0.10 0.00 0.00 174.94 175.79 1nr3 s VAL 98 N -2.67 5.25 0.00 2.92 0.11 -1.26 -5.10 120.40 119.64 1nr3 s VAL 98 Ca 0.35 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1nr3 s VAL 98 Cb 0.04 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 1nr3 s VAL 98 CO 0.19 0.16 0.00 1.57 -3.33 0.00 0.00 175.10 173.69 1nr3 n HIS 99 N 0.44 0.00 -3.60 1.54 -0.00 -1.26 -4.58 115.22 107.75 1nr3 n HIS 99 Ca -0.06 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.12 1nr3 n HIS 99 Cb 0.52 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.35 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 -1.69 0.56 0.09 1.57 1.04 -1.26 -4.98 118.95 114.29 1nr3 s ARG 100 Ca 0.00 1.38 0.07 0.00 -1.04 0.00 0.00 55.73 56.14 1nr3 s ARG 100 Cb 0.00 0.83 -0.04 0.00 -2.04 0.00 0.00 34.95 33.70 1nr3 s ARG 100 CO 0.00 -0.22 -0.09 0.54 -0.04 0.00 0.00 175.30 175.49 1nr3 s VAL 101 N 2.87 3.46 -0.67 4.99 0.11 -1.26 -4.95 120.40 124.94 1nr3 s VAL 101 Ca -0.04 -1.20 0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1nr3 s VAL 101 Cb -0.12 -2.61 0.17 0.00 -1.53 0.00 0.00 36.38 32.29 1nr3 s VAL 101 CO -0.19 0.13 0.47 0.54 -3.33 0.00 0.00 175.10 172.72 1nr3 s VAL 102 N -1.21 3.31 0.00 2.04 0.11 -1.26 -3.55 120.40 119.84 1nr3 s VAL 102 Ca 0.22 -3.59 0.00 0.00 -2.93 0.00 0.00 61.98 55.68 1nr3 s VAL 102 Cb -0.11 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 1nr3 s VAL 102 CO 0.14 -0.93 0.00 1.17 -3.33 0.00 0.00 175.10 172.15 1nr3 n LYS 103 N 2.76 0.00 -4.37 1.54 4.81 -1.26 -4.78 118.16 116.86 1nr3 n LYS 103 Ca 0.13 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.36 1nr3 n LYS 103 Cb 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.32 1nr3 n LYS 103 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nr3 s SER 104 N -0.94 1.91 -0.12 3.14 0.15 -1.26 -5.02 113.70 111.56 1nr3 s SER 104 Ca 0.00 -1.65 -0.10 0.00 0.70 0.00 0.00 55.95 54.90 1nr3 s SER 104 Cb 0.00 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1nr3 s SER 104 CO 0.00 -0.95 0.20 -0.62 1.20 0.00 0.00 173.24 173.07 1nr3 s ASP 105 N -3.44 6.44 -0.18 5.45 2.15 -1.26 -4.32 116.67 121.51 1nr3 s ASP 105 Ca 0.34 0.52 -0.16 0.00 0.43 0.00 0.00 52.55 53.68 1nr3 s ASP 105 Cb 0.03 -2.12 0.05 0.00 -0.30 0.00 0.00 42.92 40.58 1nr3 s ASP 105 CO 0.20 0.32 0.47 0.12 -0.17 0.00 0.00 175.17 176.10 1nr3 s PHE 106 N -0.62 -0.52 0.08 -5.34 2.19 -0.59 -4.41 117.98 108.76 1nr3 s PHE 106 Ca 0.15 1.26 0.06 0.00 0.33 0.00 0.00 56.93 58.73 1nr3 s PHE 106 Cb -0.13 0.18 -0.04 0.00 -1.31 0.00 0.00 43.02 41.73 1nr3 s PHE 106 CO 0.05 -0.25 -0.06 -1.21 1.83 0.00 0.00 175.22 175.57 1nr3 s GLU 107 N 0.31 2.33 -0.01 10.12 2.02 0.35 0.51 118.70 134.32 1nr3 s GLU 107 Ca -0.01 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1nr3 s GLU 107 Cb -0.03 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1nr3 s GLU 107 CO -0.00 0.53 -0.05 0.42 0.02 0.00 0.00 175.26 176.19 1nr3 s ILE 108 N -1.21 0.41 0.04 -1.63 1.09 -0.53 -1.87 121.20 117.50 1nr3 s ILE 108 Ca 0.22 -0.17 -0.13 0.00 -1.10 0.00 0.00 60.65 59.47 1nr3 s ILE 108 Cb -0.11 -0.38 0.02 0.00 -1.06 0.00 0.00 42.46 40.93 1nr3 s ILE 108 CO 0.14 0.14 0.28 -0.83 -0.10 0.00 0.00 174.94 174.57 1nr3 s GLY 109 N 0.17 -0.09 0.05 6.18 0.00 0.48 -1.32 107.32 112.80 1nr3 s GLY 109 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.60 1nr3 s GLY 109 CO -0.00 -0.26 0.09 0.14 0.00 0.00 0.00 173.10 173.06 1nr3 s VAL 110 N -2.57 0.15 -0.01 1.40 1.01 0.07 0.58 120.40 121.03 1nr3 s VAL 110 Ca -0.05 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.74 1nr3 s VAL 110 Cb -0.01 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 1nr3 s VAL 110 CO -0.04 -0.69 0.11 0.35 0.00 0.00 0.00 175.10 174.84 1nr3 n THR 111 N 0.50 0.03 0.07 3.92 -2.24 -1.25 -0.20 114.28 115.09 1nr3 n THR 111 Ca -0.17 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1nr3 n THR 111 Cb 0.60 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.24 -3.26 116.66 111.39 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 -2.88 0.00 0.00 0.55 10.43 -1.26 -4.50 116.55 118.89 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 0.61 -1.07 0.00 0.00 177.20 176.74 1nr3 n GLY 114 N 0.00 -0.46 3.74 0.44 0.00 -1.26 -3.94 105.19 103.71 1nr3 n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1nr3 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nr3 s GLU 115 N -0.94 4.74 0.34 1.61 1.03 -1.26 -4.60 118.70 119.61 1nr3 s GLU 115 Ca 0.00 1.51 0.07 0.00 0.03 0.00 0.00 54.97 56.59 1nr3 s GLU 115 Cb 0.00 -3.32 -0.07 0.00 -0.80 0.00 0.00 34.13 29.94 1nr3 s GLU 115 CO 0.00 0.31 -0.04 0.96 -1.33 0.00 0.00 175.26 175.16 1nr3 s ILE 116 N -0.52 1.87 -0.01 1.83 -5.25 -1.26 -3.89 121.20 113.99 1nr3 s ILE 116 Ca 0.45 -2.11 0.03 0.00 -0.99 0.00 0.00 60.65 58.03 1nr3 s ILE 116 Cb -0.25 -2.68 -0.01 0.00 2.95 0.00 0.00 42.46 42.47 1nr3 s ILE 116 CO 0.32 -0.17 -0.09 0.27 -1.79 0.00 0.00 174.94 173.48 1nr3 s ILE 117 N -2.84 0.75 0.16 8.37 -4.36 0.20 -4.95 121.20 118.53 1nr3 s ILE 117 Ca 0.33 -0.43 0.10 0.00 -0.26 0.00 0.00 60.65 60.39 1nr3 s ILE 117 Cb 0.05 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 1nr3 s ILE 117 CO 0.15 0.20 -0.22 0.68 0.24 0.00 0.00 174.94 175.99 1nr3 s VAL 118 N -0.25 2.07 -0.30 8.37 -7.23 -1.25 -0.38 120.40 121.42 1nr3 s VAL 118 Ca 0.03 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1nr3 s VAL 118 Cb -0.04 -1.93 0.18 0.00 0.56 0.00 0.00 36.38 35.15 1nr3 s VAL 118 CO -0.00 -0.15 0.72 -0.62 -0.31 0.00 0.00 175.10 174.73 1nr3 s ASP 119 N -2.49 -1.14 -0.20 4.85 2.15 -0.78 -4.90 116.67 114.16 1nr3 s ASP 119 Ca 0.16 0.79 -0.05 0.00 0.43 0.00 0.00 52.55 53.88 1nr3 s ASP 119 Cb -0.08 1.99 -0.14 0.00 -0.30 0.00 0.00 42.92 44.39 1nr3 s ASP 119 CO 0.07 -0.21 3.29 0.18 -0.17 0.00 0.00 175.17 178.33 1nr3 n LEU 120 N 5.43 5.77 -1.64 -1.34 4.32 -1.26 0.13 117.00 128.41 1nr3 n LEU 120 Ca -0.03 -3.54 0.00 0.00 -0.02 0.00 0.00 56.01 52.41 1nr3 n LEU 120 Cb 0.52 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.96 1nr3 n LEU 120 CO -0.01 1.72 -0.47 -3.20 -1.22 0.00 0.00 177.39 174.21 1nr3 n ASN 121 N 1.89 -8.83 0.00 -1.43 2.85 -1.26 -4.82 115.26 103.66 1nr3 n ASN 121 Ca 0.46 1.31 0.00 0.00 -0.11 0.00 0.00 54.58 56.24 1nr3 n ASN 121 Cb 0.77 -4.99 0.00 0.00 1.24 0.00 0.00 39.78 36.80 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91