#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 -4.33 0.03 3.00 -1.26 -5.15 116.66 108.94 1nr3 n ARG 2 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1nr3 n ARG 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1nr3 s GLU 3 N -1.11 2.10 -0.15 -0.14 2.02 -1.26 -5.05 118.70 115.12 1nr3 s GLU 3 Ca 0.00 -1.62 0.17 0.00 0.02 0.00 0.00 54.97 53.54 1nr3 s GLU 3 Cb 0.00 -2.00 0.43 0.00 0.10 0.00 0.00 34.13 32.67 1nr3 s GLU 3 CO 0.00 0.26 1.19 0.54 0.02 0.00 0.00 175.26 177.27 1nr3 n ARG 4 N -0.88 1.23 0.00 1.61 5.12 -1.26 -5.01 116.66 117.47 1nr3 n ARG 4 Ca -0.05 -2.94 0.00 0.00 -1.93 0.00 0.00 57.85 52.93 1nr3 n ARG 4 Cb 0.61 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.80 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nr3 n GLY 5 N -0.46 1.83 2.67 -0.13 0.00 -1.26 -4.54 105.19 103.30 1nr3 n GLY 5 Ca 0.16 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 2.87 -1.55 1.61 4.27 -1.26 -4.75 117.44 118.62 1nr3 n TRP 6 Ca 0.00 -2.66 -0.34 0.00 -3.89 0.00 0.00 57.50 50.61 1nr3 n TRP 6 Cb 0.00 -1.15 0.04 0.00 -1.36 0.00 0.00 31.31 28.84 1nr3 n TRP 6 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1nr3 n SER 7 N -0.08 7.35 -1.57 -0.67 3.41 -1.26 -4.76 113.62 116.04 1nr3 n SER 7 Ca 0.46 -3.66 -0.00 0.00 -0.26 0.00 0.00 58.87 55.41 1nr3 n SER 7 Cb 0.27 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1nr3 n GLN 8 N -0.40 -0.08 0.00 4.33 0.00 -1.26 -5.00 117.38 114.97 1nr3 n GLN 8 Ca 0.54 0.23 0.00 0.00 -0.00 0.00 0.00 57.00 57.77 1nr3 n GLN 8 Cb 0.46 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1nr3 n LYS 9 N -1.38 0.00 0.00 3.69 0.00 -1.26 -5.00 118.16 114.21 1nr3 n LYS 9 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.50 1nr3 n LYS 9 Cb 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 35.03 34.88 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 -1.31 0.00 0.00 1.64 4.81 -1.26 -4.87 118.16 117.17 1nr3 n LYS 10 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1nr3 n LYS 10 Cb 0.00 0.00 0.50 0.00 0.02 0.00 0.00 35.03 35.55 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 0.18 -0.39 3.15 5.41 -1.26 -3.57 119.36 122.88 1nr3 n ILE 11 Ca 0.00 0.05 0.34 0.00 1.00 0.00 0.00 62.75 64.14 1nr3 n ILE 11 Cb 0.00 -0.76 0.60 0.00 -0.71 0.00 0.00 39.64 38.76 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 -1.10 1.15 0.12 -1.39 0.00 -1.26 0.15 120.51 118.17 1nr3 n ALA 12 Ca 0.12 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.27 1nr3 n ALA 12 Cb 0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 1nr3 n ALA 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1nr3 h ARG 13 N 0.00 -0.52 0.00 0.00 0.11 -1.98 0.37 114.38 112.37 1nr3 h ARG 13 Ca 0.80 0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.90 1nr3 h ARG 13 Cb 2.43 0.12 -0.00 0.00 1.11 0.00 0.00 29.97 33.62 1nr3 h ARG 13 CO -0.52 -0.35 -0.06 1.49 0.10 0.00 0.00 179.97 180.64 1nr3 h GLU 14 N -0.54 0.00 0.47 0.08 4.57 0.11 -1.63 114.58 117.64 1nr3 h GLU 14 Ca 0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1nr3 h GLU 14 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1nr3 h GLU 14 CO -0.18 0.06 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.41 1nr3 h LEU 15 N 0.00 -0.53 -1.85 1.64 4.07 0.02 -1.88 115.31 116.78 1nr3 h LEU 15 Ca -0.00 -0.07 0.23 0.00 0.08 0.00 0.00 57.88 58.12 1nr3 h LEU 15 Cb 0.11 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 1nr3 h LEU 15 CO 0.01 -0.13 0.59 0.07 -1.08 0.00 0.00 178.44 177.90 1nr3 h LYS 16 N -1.05 0.12 0.00 1.13 2.10 -0.02 1.12 116.57 119.97 1nr3 h LYS 16 Ca -0.06 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.49 1nr3 h LYS 16 Cb 0.57 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1nr3 h LYS 16 CO 0.11 0.08 -0.44 1.15 -2.00 0.00 0.00 179.45 178.34 1nr3 h THR 17 N 0.12 1.06 -3.38 0.07 2.02 -1.13 -3.42 112.91 108.25 1nr3 h THR 17 Ca 0.41 -1.66 -0.59 0.00 0.77 0.00 0.00 66.41 65.34 1nr3 h THR 17 Cb 1.44 1.97 -0.09 0.00 -1.74 0.00 0.00 68.15 69.72 1nr3 h THR 17 CO -0.06 0.43 0.25 0.28 0.37 0.00 0.00 175.52 176.79 1nr3 s THR 18 N -3.65 4.95 0.00 3.16 -1.32 0.39 -4.84 115.64 114.33 1nr3 s THR 18 Ca -0.01 1.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.83 1nr3 s THR 18 Cb 0.12 -4.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 1nr3 s THR 18 CO 0.71 0.05 0.00 -2.11 -2.21 0.00 0.00 174.62 171.06 1nr3 n ARG 19 N 5.32 0.00 -0.93 7.08 1.85 -1.26 -4.77 116.66 123.96 1nr3 n ARG 19 Ca 0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.53 1nr3 n ARG 19 Cb 0.49 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.86 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 0.00 1.65 -1.52 2.89 7.27 -1.26 -4.13 117.38 122.28 1nr3 n GLN 20 Ca 0.00 -1.62 -0.14 0.00 0.07 0.00 0.00 57.00 55.31 1nr3 n GLN 20 Cb 0.00 -2.69 -0.05 0.00 2.41 0.00 0.00 30.24 29.91 1nr3 n GLN 20 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1nr3 n ASN 21 N 6.09 -3.65 0.00 1.69 4.13 -1.26 -4.89 115.26 117.37 1nr3 n ASN 21 Ca 0.46 0.31 0.00 0.00 1.68 0.00 0.00 54.58 57.03 1nr3 n ASN 21 Cb 0.28 -3.36 0.00 0.00 -1.54 0.00 0.00 39.78 35.16 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1nr3 n VAL 22 N -2.09 0.00 0.05 2.41 0.31 -1.26 -4.94 118.33 112.80 1nr3 n VAL 22 Ca -0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.04 1nr3 n VAL 22 Cb 0.47 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.30 1nr3 n VAL 22 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1nr3 h SER 23 N 0.00 -1.59 -6.97 4.52 0.02 -1.94 -3.45 113.55 104.14 1nr3 h SER 23 Ca 0.00 0.18 -0.55 0.00 -0.84 0.00 0.00 61.79 60.58 1nr3 h SER 23 Cb 0.00 0.60 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 1nr3 h SER 23 CO 0.00 -0.50 -0.89 0.00 -1.14 0.00 0.00 176.83 174.30 1nr3 n ALA 24 N -2.95 -2.24 0.22 3.77 0.00 -1.26 -4.76 120.51 113.28 1nr3 n ALA 24 Ca -0.07 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 52.96 1nr3 n ALA 24 Cb 0.38 -1.69 0.49 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.85 0.87 0.11 0.00 2.04 -1.95 0.12 117.51 116.85 1nr3 h ILE 25 Ca -0.62 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 1nr3 h ILE 25 Cb 1.25 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1nr3 h ILE 25 CO 0.53 0.26 -0.05 -0.33 0.00 0.00 0.00 178.15 178.56 1nr3 h GLU 26 N 0.00 -0.14 -0.16 2.37 5.08 -1.97 0.23 114.58 119.99 1nr3 h GLU 26 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1nr3 h GLU 26 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1nr3 h GLU 26 CO 0.03 0.28 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.23 1nr3 h ARG 27 N -0.63 0.29 0.79 2.33 9.65 -1.89 -1.47 114.38 123.45 1nr3 h ARG 27 Ca -0.02 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1nr3 h ARG 27 Cb 0.49 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1nr3 h ARG 27 CO 0.03 0.53 -0.41 0.87 2.80 0.00 0.00 179.97 183.78 1nr3 h LYS 28 N 0.01 -1.06 -0.56 0.20 1.79 -0.83 0.32 116.57 116.44 1nr3 h LYS 28 Ca 0.04 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.67 1nr3 h LYS 28 Cb 0.41 0.24 -0.10 0.00 -1.58 0.00 0.00 32.23 31.20 1nr3 h LYS 28 CO 0.01 -0.71 -0.46 0.00 -1.08 0.00 0.00 179.45 177.21 1nr3 h ALA 29 N -0.92 -0.42 0.00 3.86 0.00 -0.56 1.36 119.26 122.58 1nr3 h ALA 29 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nr3 h ALA 29 Cb 0.86 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1nr3 h ALA 29 CO 0.16 -0.88 -0.01 0.52 0.00 0.00 0.00 179.25 179.04 1nr3 h MET 30 N -0.25 0.00 -2.01 0.00 2.86 -1.11 -2.31 114.93 112.11 1nr3 h MET 30 Ca 0.16 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 1nr3 h MET 30 Cb 0.56 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1nr3 h MET 30 CO -0.68 0.01 -0.23 0.39 1.06 0.00 0.00 176.91 177.45 1nr3 n GLU 31 N -3.20 1.60 -3.22 1.72 1.02 0.47 -4.64 120.64 114.38 1nr3 n GLU 31 Ca -0.02 -0.62 -0.19 0.00 -0.02 0.00 0.00 57.16 56.31 1nr3 n GLU 31 Cb 0.11 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.14 -2.64 -4.47 1.62 3.02 -1.12 -4.82 115.26 108.99 1nr3 n ASN 32 Ca 0.27 -0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 1nr3 n ASN 32 Cb 0.75 -2.26 0.07 0.00 -0.61 0.00 0.00 39.78 37.73 1nr3 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr3 n ILE 33 N -3.49 1.73 0.09 2.41 3.06 -0.88 -4.87 119.36 117.42 1nr3 n ILE 33 Ca -0.00 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 59.86 1nr3 n ILE 33 Cb 0.52 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 39.95 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 -0.85 0.00 0.00 9.51 1.02 -1.26 -4.99 120.64 124.06 1nr3 n GLU 34 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1nr3 n GLU 34 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1nr3 n GLU 34 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1nr3 n LYS 35 N -2.82 0.00 0.00 3.49 0.00 -1.26 -5.07 118.16 112.50 1nr3 n LYS 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1nr3 n LYS 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1nr3 n SER 36 N 0.00 -0.02 -0.17 -5.58 7.64 -1.26 -4.96 113.62 109.26 1nr3 n SER 36 Ca 0.00 0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.84 1nr3 n SER 36 Cb 0.00 0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.51 -0.18 -2.24 1.43 5.12 -1.26 -4.84 116.66 112.18 1nr3 n ARG 37 Ca 0.00 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1nr3 n ARG 37 Cb 0.00 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 1nr3 n ARG 37 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1nr3 n ASN 38 N -3.93 -1.71 0.00 0.55 2.85 -1.26 -5.00 115.26 106.76 1nr3 n ASN 38 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1nr3 n ASN 38 Cb 0.11 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.67 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1nr3 n THR 39 N -2.53 0.00 0.08 -0.44 -1.04 -1.26 -1.42 114.28 107.67 1nr3 n THR 39 Ca 0.00 0.32 0.20 0.00 -2.04 0.00 0.00 64.05 62.53 1nr3 n THR 39 Cb 0.46 -0.67 0.68 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.31 -4.42 -0.00 -1.93 0.19 115.31 109.46 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 -0.15 -0.78 -0.00 0.00 0.00 178.44 177.51 1nr3 h ASP 41 N 0.00 -0.35 -0.82 0.17 1.82 -1.98 0.48 116.42 115.74 1nr3 h ASP 41 Ca 0.21 -0.19 0.14 0.00 -0.39 0.00 0.00 57.03 56.80 1nr3 h ASP 41 Cb 1.38 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.42 1nr3 h ASP 41 CO -0.00 0.10 0.54 0.15 -1.61 0.00 0.00 179.24 178.41 1nr3 h PHE 42 N -0.90 0.67 0.00 0.28 3.57 0.53 0.42 116.94 121.52 1nr3 h PHE 42 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1nr3 h PHE 42 Cb 0.52 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1nr3 h PHE 42 CO 0.04 0.26 -0.48 -0.24 -2.23 0.00 0.00 178.31 175.65 1nr3 h VAL 43 N 0.58 0.47 -0.48 1.41 3.04 -1.22 -3.26 116.25 116.79 1nr3 h VAL 43 Ca 0.41 -1.70 -0.07 0.00 -1.01 0.00 0.00 66.70 64.33 1nr3 h VAL 43 Cb 0.75 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 32.18 1nr3 h VAL 43 CO -0.16 0.27 0.04 0.11 -1.01 0.00 0.00 177.57 176.81 1nr3 h LYS 44 N 0.00 0.82 -0.84 4.17 1.57 0.44 -2.80 116.57 119.94 1nr3 h LYS 44 Ca -0.02 -0.24 0.21 0.00 -1.87 0.00 0.00 60.65 58.73 1nr3 h LYS 44 Cb 1.25 -0.08 -0.13 0.00 0.08 0.00 0.00 32.23 33.34 1nr3 h LYS 44 CO 0.04 0.85 0.21 1.03 -0.57 0.00 0.00 179.45 181.01 1nr3 h SER 45 N 0.68 -0.01 -0.90 0.86 0.87 -1.27 0.41 113.55 114.20 1nr3 h SER 45 Ca 0.14 0.18 0.11 0.00 -1.23 0.00 0.00 61.79 61.00 1nr3 h SER 45 Cb 0.45 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.53 1nr3 h SER 45 CO 0.02 -0.12 -0.48 -0.07 -0.53 0.00 0.00 176.83 175.65 1nr3 h LEU 46 N 0.23 -1.75 -1.35 2.23 3.38 -1.65 -3.44 115.31 112.96 1nr3 h LEU 46 Ca 0.51 0.30 -0.46 0.00 0.09 0.00 0.00 57.88 58.32 1nr3 h LEU 46 Cb 0.97 0.82 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1nr3 h LEU 46 CO -0.61 -0.28 -0.80 0.29 0.09 0.00 0.00 178.44 177.13 1nr3 n LYS 47 N -5.37 -5.07 -2.71 1.13 5.02 0.13 -4.93 118.16 106.37 1nr3 n LYS 47 Ca 0.05 0.58 -0.34 0.00 -2.02 0.00 0.00 58.31 56.59 1nr3 n LYS 47 Cb 0.33 -5.29 -0.06 0.00 -0.02 0.00 0.00 35.03 30.00 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nr3 s SER 48 N -3.78 6.73 0.47 4.39 0.01 -1.26 -4.23 113.70 116.04 1nr3 s SER 48 Ca 0.37 1.79 -0.21 0.00 1.31 0.00 0.00 55.95 59.22 1nr3 s SER 48 Cb -0.19 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1nr3 s SER 48 CO 0.83 -0.51 1.04 -2.16 0.41 0.00 0.00 173.24 172.86 1nr3 s PRO 49 N -3.13 3.85 0.14 12.44 0.04 -0.89 -4.22 135.00 143.22 1nr3 s PRO 49 Ca 0.63 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 1nr3 s PRO 49 Cb -0.12 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1nr3 s PRO 49 CO 0.16 -0.39 0.38 0.08 0.04 0.00 0.00 177.00 177.27 1nr3 s VAL 50 N -1.94 0.07 -0.27 -0.36 1.01 0.81 -4.95 120.40 114.78 1nr3 s VAL 50 Ca 0.66 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1nr3 s VAL 50 Cb -0.17 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1nr3 s VAL 50 CO 0.21 -0.32 0.69 -0.60 0.00 0.00 0.00 175.10 175.07 1nr3 s ARG 51 N -3.85 0.75 -0.05 2.72 3.52 -1.26 -0.51 118.95 120.27 1nr3 s ARG 51 Ca 0.06 1.09 -0.18 0.00 -0.13 0.00 0.00 55.73 56.57 1nr3 s ARG 51 Cb 0.02 0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.71 1nr3 s ARG 51 CO -0.09 -0.12 0.41 0.96 -0.81 0.00 0.00 175.30 175.65 1nr3 s ILE 52 N 0.99 0.03 0.03 4.11 -4.36 0.06 -4.77 121.20 117.30 1nr3 s ILE 52 Ca -0.05 -0.28 -0.01 0.00 -0.26 0.00 0.00 60.65 60.06 1nr3 s ILE 52 Cb -0.05 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.93 1nr3 s ILE 52 CO -0.09 -0.15 0.18 -0.22 0.24 0.00 0.00 174.94 174.89 1nr3 s LEU 53 N -0.96 4.26 -0.04 0.37 0.20 -1.26 -0.96 118.68 120.29 1nr3 s LEU 53 Ca -0.10 0.25 0.03 0.00 0.69 0.00 0.00 54.13 55.00 1nr3 s LEU 53 Cb -0.04 -2.74 -0.03 0.00 -0.43 0.00 0.00 46.19 42.95 1nr3 s LEU 53 CO 0.05 0.21 -0.11 0.00 -0.29 0.00 0.00 176.35 176.20 1nr3 n ARG 55 N 2.14 1.25 -1.65 0.00 1.74 -1.26 -1.25 116.66 117.62 1nr3 n ARG 55 Ca -0.17 -1.10 -0.51 0.00 -0.77 0.00 0.00 57.85 55.30 1nr3 n ARG 55 Cb 0.52 0.43 -0.06 0.00 -1.02 0.00 0.00 32.46 32.34 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 -0.34 1.59 -0.33 5.56 1.85 -1.26 -4.54 116.66 119.20 1nr3 n ARG 56 Ca -0.04 0.58 0.33 0.00 -1.00 0.00 0.00 57.85 57.72 1nr3 n ARG 56 Cb 0.19 -2.30 0.70 0.00 -1.05 0.00 0.00 32.46 30.00 1nr3 n ARG 56 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nr3 h GLY 57 N 6.33 0.30 1.60 2.89 0.00 -1.83 1.30 103.07 113.66 1nr3 h GLY 57 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1nr3 h GLY 57 CO 0.88 -0.04 0.19 -1.80 0.00 0.00 0.00 176.54 175.76 1nr3 h ASP 58 N 0.09 0.00 -0.10 0.19 1.82 -1.91 0.80 116.42 117.31 1nr3 h ASP 58 Ca 0.58 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.22 1nr3 h ASP 58 Cb 2.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.15 1nr3 h ASP 58 CO -0.08 0.00 0.00 1.07 -1.61 0.00 0.00 179.24 178.62 1nr3 n THR 59 N -2.76 0.61 -0.33 2.25 5.66 0.44 -4.65 114.28 115.51 1nr3 n THR 59 Ca -0.02 -0.80 0.13 0.00 -3.05 0.00 0.00 64.05 60.31 1nr3 n THR 59 Cb 0.24 0.74 0.32 0.00 -1.55 0.00 0.00 70.33 70.07 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 0.96 0.57 -0.09 1.09 5.85 0.96 2.49 115.31 127.14 1nr3 h LEU 60 Ca 0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1nr3 h LEU 60 Cb 0.45 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1nr3 h LEU 60 CO 0.00 0.14 -0.08 -2.24 -0.34 0.00 0.00 178.44 175.92 1nr3 h ASP 61 N 0.58 -0.24 0.16 1.25 2.03 -1.83 0.27 116.42 118.64 1nr3 h ASP 61 Ca 0.57 0.05 -0.19 0.00 -0.73 0.00 0.00 57.03 56.73 1nr3 h ASP 61 Cb 0.99 0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1nr3 h ASP 61 CO -0.45 -0.11 -0.71 -0.08 -1.03 0.00 0.00 179.24 176.87 1nr3 h GLU 62 N -0.09 0.48 0.00 4.15 4.22 -1.00 -2.90 114.58 119.44 1nr3 h GLU 62 Ca 0.06 -0.38 -0.00 0.00 0.08 0.00 0.00 59.36 59.12 1nr3 h GLU 62 Cb 0.18 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nr3 h GLU 62 CO -0.14 1.01 -0.01 0.82 -2.18 0.00 0.00 179.01 178.50 1nr3 h ILE 63 N 0.34 1.00 -0.63 2.32 5.03 0.46 -0.73 117.51 125.30 1nr3 h ILE 63 Ca -0.03 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1nr3 h ILE 63 Cb 1.28 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 36.06 1nr3 h ILE 63 CO 0.13 0.01 0.38 0.40 -0.68 0.00 0.00 178.15 178.39 1nr3 h ILE 64 N 0.00 1.18 -0.44 -0.67 2.04 -0.27 1.17 117.51 120.51 1nr3 h ILE 64 Ca -0.00 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.34 1nr3 h ILE 64 Cb 0.02 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1nr3 h ILE 64 CO 0.00 0.19 -0.19 0.50 0.00 0.00 0.00 178.15 178.65 1nr3 h LYS 65 N 0.85 0.87 -0.15 2.37 3.64 -1.23 -1.05 116.57 121.87 1nr3 h LYS 65 Ca 0.23 -0.34 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1nr3 h LYS 65 Cb -0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1nr3 h LYS 65 CO -0.04 0.98 -0.53 0.00 -2.27 0.00 0.00 179.45 177.59 1nr3 h ARG 66 N 0.76 0.43 0.18 1.90 2.47 -0.58 -2.74 114.38 116.80 1nr3 h ARG 66 Ca 0.11 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1nr3 h ARG 66 Cb 0.72 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1nr3 h ARG 66 CO 0.06 0.85 -0.09 -0.07 0.56 0.00 0.00 179.97 181.28 1nr3 h LEU 67 N 0.33 -0.21 -0.75 3.04 3.38 0.17 -2.85 115.31 118.42 1nr3 h LEU 67 Ca 0.01 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1nr3 h LEU 67 Cb 1.04 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1nr3 h LEU 67 CO 0.09 0.07 0.21 0.17 0.09 0.00 0.00 178.44 179.08 1nr3 h LEU 68 N -0.49 0.08 -2.24 1.67 8.10 -1.18 1.40 115.31 122.64 1nr3 h LEU 68 Ca -0.03 0.14 0.05 0.00 0.11 0.00 0.00 57.88 58.16 1nr3 h LEU 68 Cb 0.38 0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 1nr3 h LEU 68 CO 0.04 -0.01 0.22 -0.33 -4.11 0.00 0.00 178.44 174.25 1nr3 h GLU 69 N 0.30 0.00 0.08 0.17 4.39 -1.28 2.45 114.58 120.69 1nr3 h GLU 69 Ca 0.42 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.76 1nr3 h GLU 69 Cb 0.72 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1nr3 h GLU 69 CO -0.49 0.00 -2.11 0.39 -1.16 0.00 0.00 179.01 175.63 1nr3 n GLU 70 N -3.65 0.71 -0.02 2.33 -0.58 0.41 -3.91 120.64 115.92 1nr3 n GLU 70 Ca 0.01 0.25 -0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1nr3 n GLU 70 Cb 0.34 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 -0.06 0.00 -1.48 1.62 0.02 0.17 -3.32 113.55 110.50 1nr3 h SER 71 Ca -0.47 0.00 0.43 0.00 -0.84 0.00 0.00 61.79 60.90 1nr3 h SER 71 Cb 1.93 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.42 1nr3 h SER 71 CO -0.00 0.23 1.22 -1.13 -1.14 0.00 0.00 176.83 176.01 1nr3 h ASN 72 N -0.36 0.00 -0.16 3.07 -1.24 0.40 2.16 115.58 119.45 1nr3 h ASN 72 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1nr3 h ASN 72 Cb 0.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1nr3 h ASN 72 CO 0.00 0.00 0.08 0.11 -1.29 0.00 0.00 177.43 176.33 1nr3 h LYS 73 N 0.00 0.22 -0.49 6.67 6.56 -1.55 -2.84 116.57 125.13 1nr3 h LYS 73 Ca 0.70 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.27 1nr3 h LYS 73 Cb 3.13 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 34.75 1nr3 h LYS 73 CO -0.01 0.23 0.00 -0.85 -2.06 0.00 0.00 179.45 176.76 1nr3 n GLU 74 N -4.92 3.06 -1.74 3.15 0.28 0.60 -4.98 120.64 116.08 1nr3 n GLU 74 Ca -0.04 -2.49 0.00 0.00 -0.16 0.00 0.00 57.16 54.47 1nr3 n GLU 74 Cb 0.07 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.38 1nr3 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nr3 n GLY 75 N 0.77 4.51 3.88 -1.84 0.00 0.57 -5.05 105.19 108.02 1nr3 n GLY 75 Ca 0.19 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.12 4.97 -0.78 -0.61 1.10 -1.26 -4.70 121.20 118.79 1nr3 s ILE 76 Ca 0.00 0.43 -0.28 0.00 -0.51 0.00 0.00 60.65 60.29 1nr3 s ILE 76 Cb 0.00 -3.63 -0.16 0.00 0.15 0.00 0.00 42.46 38.82 1nr3 s ILE 76 CO 0.00 -0.02 2.55 1.57 -2.11 0.00 0.00 174.94 176.93 1nr3 n HIS 77 N -0.00 0.92 -4.18 3.50 -0.00 -1.26 -4.70 115.22 109.50 1nr3 n HIS 77 Ca -0.01 0.24 -0.16 0.00 0.46 0.00 0.00 57.72 58.26 1nr3 n HIS 77 Cb 0.52 -2.42 -0.14 0.00 -0.12 0.00 0.00 29.99 27.83 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 10.21 0.52 -0.48 3.57 1.01 -1.26 -4.99 120.40 128.98 1nr3 s VAL 78 Ca 1.19 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1nr3 s VAL 78 Cb -0.76 -0.48 0.41 0.00 0.00 0.00 0.00 36.38 35.56 1nr3 s VAL 78 CO 0.38 0.01 1.23 2.30 0.00 0.00 0.00 175.10 179.03 1nr3 n ILE 79 N 2.56 2.53 -2.39 2.22 -5.35 -1.26 -4.87 119.36 112.80 1nr3 n ILE 79 Ca -0.15 -4.81 -0.26 0.00 -0.27 0.00 0.00 62.75 57.26 1nr3 n ILE 79 Cb 0.57 -1.26 0.04 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 -3.61 3.14 0.30 4.28 3.76 -1.26 -4.33 115.29 117.58 1nr3 s HIS 80 Ca 0.49 0.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.01 1nr3 s HIS 80 Cb 0.41 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 1nr3 s HIS 80 CO -0.20 -0.94 0.20 -0.51 -0.85 0.00 0.00 174.74 172.44 1nr3 s ASP 81 N -4.36 5.18 0.49 1.40 -0.00 -1.26 -4.91 116.67 113.20 1nr3 s ASP 81 Ca 0.55 -0.48 0.14 0.00 -0.00 0.00 0.00 52.55 52.76 1nr3 s ASP 81 Cb -0.11 -1.06 1.16 0.00 -0.00 0.00 0.00 42.92 42.92 1nr3 s ASP 81 CO 0.44 -0.20 2.12 -1.28 -0.00 0.00 0.00 175.17 176.25 1nr3 h SER 82 N 1.45 0.10 0.28 0.27 0.87 -1.93 0.74 113.55 115.33 1nr3 h SER 82 Ca -0.46 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.92 1nr3 h SER 82 Cb 1.25 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1nr3 h SER 82 CO 0.60 0.09 -0.71 0.40 -0.53 0.00 0.00 176.83 176.68 1nr3 h ILE 83 N 0.12 1.38 0.05 2.23 2.04 -1.96 -2.81 117.51 118.57 1nr3 h ILE 83 Ca 0.03 -2.13 -0.23 0.00 1.00 0.00 0.00 64.86 63.53 1nr3 h ILE 83 Cb 0.01 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1nr3 h ILE 83 CO -0.01 0.64 -1.07 0.74 0.00 0.00 0.00 178.15 178.45 1nr3 h THR 84 N 0.26 1.60 -0.86 -0.27 2.02 -1.38 -3.15 112.91 111.12 1nr3 h THR 84 Ca -0.03 -3.15 0.01 0.00 0.77 0.00 0.00 66.41 64.01 1nr3 h THR 84 Cb 1.27 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 70.46 1nr3 h THR 84 CO 0.12 0.91 0.57 -0.07 0.37 0.00 0.00 175.52 177.42 1nr3 h LEU 85 N 0.05 0.99 -0.48 2.58 4.07 0.46 1.55 115.31 124.53 1nr3 h LEU 85 Ca -0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1nr3 h LEU 85 Cb 1.80 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.27 1nr3 h LEU 85 CO 0.16 0.72 0.24 0.00 -1.08 0.00 0.00 178.44 178.48 1nr3 h ALA 86 N 1.31 0.61 0.02 1.53 0.00 -1.53 0.93 119.26 122.14 1nr3 h ALA 86 Ca 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nr3 h ALA 86 Cb -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1nr3 h ALA 86 CO -0.07 0.16 -0.01 0.35 0.00 0.00 0.00 179.25 179.68 1nr3 h PHE 87 N 0.63 -0.03 -0.98 0.00 3.57 -1.31 0.28 116.94 119.10 1nr3 h PHE 87 Ca 0.17 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1nr3 h PHE 87 Cb 0.09 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1nr3 h PHE 87 CO -0.01 0.52 0.64 -0.07 -2.23 0.00 0.00 178.31 177.16 1nr3 h LEU 88 N -0.60 1.10 0.12 0.59 4.07 0.23 -2.58 115.31 118.24 1nr3 h LEU 88 Ca -0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1nr3 h LEU 88 Cb 0.56 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1nr3 h LEU 88 CO 0.01 0.78 -0.06 0.40 -1.08 0.00 0.00 178.44 178.48 1nr3 h ILE 89 N 1.29 1.06 -1.41 1.22 2.04 0.91 -2.91 117.51 119.71 1nr3 h ILE 89 Ca 0.37 -0.85 0.47 0.00 1.00 0.00 0.00 64.86 65.86 1nr3 h ILE 89 Cb -0.09 1.58 -0.13 0.00 -0.74 0.00 0.00 36.82 37.44 1nr3 h ILE 89 CO -0.10 0.20 0.92 0.54 0.00 0.00 0.00 178.15 179.71 1nr3 n ARG 90 N -4.98 -0.03 -0.05 2.37 1.74 0.99 0.36 116.66 117.06 1nr3 n ARG 90 Ca -0.09 1.19 -0.13 0.00 -0.77 0.00 0.00 57.85 58.05 1nr3 n ARG 90 Cb 0.23 -2.39 -0.07 0.00 -1.02 0.00 0.00 32.46 29.21 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 0.39 -0.03 5.56 4.39 -1.29 0.74 114.58 124.34 1nr3 h GLU 91 Ca 0.86 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 60.34 1nr3 h GLU 91 Cb 2.86 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 31.53 1nr3 h GLU 91 CO -0.40 0.80 0.00 0.36 -1.16 0.00 0.00 179.01 178.61 1nr3 n LYS 92 N -4.50 1.62 -2.70 2.33 2.85 0.66 -4.51 118.16 113.90 1nr3 n LYS 92 Ca -0.06 -0.90 -0.03 0.00 -1.05 0.00 0.00 58.31 56.27 1nr3 n LYS 92 Cb 0.40 -1.47 0.03 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.98 -3.88 -2.00 0.58 0.00 1.14 -4.99 121.76 110.64 1nr3 s ALA 93 Ca 0.38 0.35 0.21 0.00 0.00 0.00 0.00 51.96 52.91 1nr3 s ALA 93 Cb 0.21 -2.92 1.27 0.00 0.00 0.00 0.00 23.12 21.67 1nr3 s ALA 93 CO 0.33 -2.45 1.81 -1.13 0.00 0.00 0.00 175.76 174.32 1nr3 n SER 94 N 2.72 0.00 0.00 0.00 3.41 0.26 -3.45 113.62 116.55 1nr3 n SER 94 Ca 0.13 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1nr3 n SER 94 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 -3.55 7.33 8.25 -1.26 -4.88 115.22 120.28 1nr3 n HIS 95 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 1nr3 n HIS 95 Cb 0.07 0.00 -0.11 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 2.91 0.43 -0.41 0.52 -1.26 -5.07 118.95 116.08 1nr3 s ARG 96 Ca 0.00 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1nr3 s ARG 96 Cb 0.00 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1nr3 s ARG 96 CO 0.00 -0.70 0.16 0.42 0.02 0.00 0.00 175.30 175.20 1nr3 s ILE 97 N 1.61 2.10 0.02 1.52 1.09 -1.26 -4.90 121.20 121.37 1nr3 s ILE 97 Ca 0.03 -1.74 -0.06 0.00 -1.10 0.00 0.00 60.65 57.78 1nr3 s ILE 97 Cb -0.19 -2.84 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 1nr3 s ILE 97 CO 0.08 0.00 0.27 0.54 -0.10 0.00 0.00 174.94 175.73 1nr3 s VAL 98 N -2.66 5.30 0.42 2.92 0.11 -1.26 -5.10 120.40 120.13 1nr3 s VAL 98 Ca 0.36 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.52 1nr3 s VAL 98 Cb 0.04 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1nr3 s VAL 98 CO 0.20 0.31 0.12 1.41 -3.33 0.00 0.00 175.10 173.81 1nr3 n HIS 99 N 0.94 0.35 -3.74 1.54 8.25 -1.26 -4.55 115.22 116.75 1nr3 n HIS 99 Ca -0.10 -1.97 -0.13 0.00 -0.26 0.00 0.00 57.72 55.26 1nr3 n HIS 99 Cb 0.53 -0.30 -0.14 0.00 1.12 0.00 0.00 29.99 31.19 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 -3.60 0.11 0.12 -0.41 3.03 -1.26 -4.98 118.95 111.97 1nr3 s ARG 100 Ca 0.09 0.41 0.10 0.00 2.03 0.00 0.00 55.73 58.36 1nr3 s ARG 100 Cb -0.01 -0.17 -0.04 0.00 -1.03 0.00 0.00 34.95 33.70 1nr3 s ARG 100 CO 0.06 -0.17 -0.23 0.54 -1.13 0.00 0.00 175.30 174.37 1nr3 s VAL 101 N 1.24 2.53 -0.56 4.99 0.11 -1.26 -5.01 120.40 122.44 1nr3 s VAL 101 Ca -0.09 -1.64 0.04 0.00 -2.93 0.00 0.00 61.98 57.37 1nr3 s VAL 101 Cb -0.11 -2.14 0.17 0.00 -1.53 0.00 0.00 36.38 32.77 1nr3 s VAL 101 CO -0.07 0.10 0.40 0.54 -3.33 0.00 0.00 175.10 172.75 1nr3 s VAL 102 N -1.09 1.69 0.00 2.04 0.11 -1.26 -2.99 120.40 118.89 1nr3 s VAL 102 Ca 0.16 -3.43 0.00 0.00 -2.93 0.00 0.00 61.98 55.78 1nr3 s VAL 102 Cb -0.10 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 1nr3 s VAL 102 CO 0.08 -1.09 0.00 1.17 -3.33 0.00 0.00 175.10 171.93 1nr3 n LYS 103 N 2.49 0.00 -4.37 1.54 3.00 -1.26 -4.76 118.16 114.80 1nr3 n LYS 103 Ca 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.33 1nr3 n LYS 103 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.35 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 -0.94 1.97 0.09 3.14 0.15 -1.26 -5.02 113.70 111.83 1nr3 s SER 104 Ca 0.00 -1.66 -0.22 0.00 0.70 0.00 0.00 55.95 54.77 1nr3 s SER 104 Cb 0.00 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1nr3 s SER 104 CO 0.00 -0.96 0.65 -0.62 1.20 0.00 0.00 173.24 173.51 1nr3 s ASP 105 N -3.45 7.16 0.16 5.45 -1.08 -1.26 -4.32 116.67 119.34 1nr3 s ASP 105 Ca 0.33 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 1nr3 s ASP 105 Cb 0.03 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 39.04 1nr3 s ASP 105 CO 0.20 0.20 0.05 0.12 0.52 0.00 0.00 175.17 176.26 1nr3 s PHE 106 N -0.88 1.08 -0.10 -5.34 5.36 -0.38 -4.21 117.98 113.50 1nr3 s PHE 106 Ca 0.32 -1.17 -0.10 0.00 -0.96 0.00 0.00 56.93 55.02 1nr3 s PHE 106 Cb -0.20 -0.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1nr3 s PHE 106 CO 0.21 -0.40 0.29 -1.21 -1.46 0.00 0.00 175.22 172.65 1nr3 s GLU 107 N -4.01 0.37 0.02 10.12 2.02 0.23 -0.47 118.70 126.97 1nr3 s GLU 107 Ca 0.27 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.62 1nr3 s GLU 107 Cb 0.07 0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 1nr3 s GLU 107 CO 0.05 -0.05 -0.05 0.42 0.02 0.00 0.00 175.26 175.64 1nr3 s ILE 108 N 0.02 0.38 0.12 -1.63 1.09 -0.13 -1.52 121.20 119.53 1nr3 s ILE 108 Ca -0.01 -0.59 -0.20 0.00 -1.10 0.00 0.00 60.65 58.75 1nr3 s ILE 108 Cb -0.02 -0.40 0.05 0.00 -1.06 0.00 0.00 42.46 41.03 1nr3 s ILE 108 CO 0.01 -0.15 0.49 -0.83 -0.10 0.00 0.00 174.94 174.36 1nr3 s GLY 109 N -0.79 -0.42 0.18 6.18 0.00 0.13 -0.76 107.32 111.83 1nr3 s GLY 109 Ca -0.05 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.79 1nr3 s GLY 109 CO -0.00 -0.03 0.43 0.54 0.00 0.00 0.00 173.10 174.04 1nr3 s VAL 110 N -3.53 0.04 -0.03 1.40 0.11 0.34 0.29 120.40 119.02 1nr3 s VAL 110 Ca 0.01 -0.98 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1nr3 s VAL 110 Cb 0.00 -1.64 -0.06 0.00 -1.53 0.00 0.00 36.38 33.16 1nr3 s VAL 110 CO -0.10 -0.20 0.05 0.35 -3.33 0.00 0.00 175.10 171.87 1nr3 n THR 111 N -0.29 0.17 0.01 5.04 -2.24 -1.23 -0.13 114.28 115.61 1nr3 n THR 111 Ca -0.10 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1nr3 n THR 111 Cb 0.63 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.95 0.00 0.00 -0.78 1.74 -1.26 -2.09 116.66 112.31 1nr3 n ARG 112 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1nr3 n ARG 112 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.54 0.00 0.00 0.55 10.43 -1.26 -4.69 116.55 119.04 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 -0.40 3.73 0.44 0.00 -1.26 -4.19 105.19 103.51 1nr3 n GLY 114 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.03 4.56 0.31 1.61 0.41 -1.26 -4.68 118.70 118.61 1nr3 s GLU 115 Ca 0.00 1.20 0.04 0.00 -0.41 0.00 0.00 54.97 55.79 1nr3 s GLU 115 Cb 0.00 -3.38 -0.06 0.00 -1.78 0.00 0.00 34.13 28.91 1nr3 s GLU 115 CO 0.00 0.21 0.04 0.96 -0.49 0.00 0.00 175.26 175.98 1nr3 s ILE 116 N 0.14 1.20 -0.01 -1.63 -5.25 -1.26 -3.56 121.20 110.82 1nr3 s ILE 116 Ca 0.42 -2.02 0.03 0.00 -0.99 0.00 0.00 60.65 58.10 1nr3 s ILE 116 Cb -0.21 -2.69 -0.01 0.00 2.95 0.00 0.00 42.46 42.49 1nr3 s ILE 116 CO 0.25 -0.07 -0.11 0.27 -1.79 0.00 0.00 174.94 173.48 1nr3 s ILE 117 N -3.30 0.89 0.11 8.37 -5.25 0.14 -4.95 121.20 117.21 1nr3 s ILE 117 Ca 0.35 -0.50 0.05 0.00 -0.99 0.00 0.00 60.65 59.56 1nr3 s ILE 117 Cb 0.08 -0.75 -0.04 0.00 2.95 0.00 0.00 42.46 44.71 1nr3 s ILE 117 CO 0.14 0.24 -0.12 0.54 -1.79 0.00 0.00 174.94 173.95 1nr3 s VAL 118 N -0.29 1.11 0.17 8.37 0.11 -1.26 -0.70 120.40 127.92 1nr3 s VAL 118 Ca 0.04 -1.64 -0.24 0.00 -2.93 0.00 0.00 61.98 57.21 1nr3 s VAL 118 Cb -0.04 -1.40 0.06 0.00 -1.53 0.00 0.00 36.38 33.47 1nr3 s VAL 118 CO -0.00 -0.47 0.96 -0.62 -3.33 0.00 0.00 175.10 171.64 1nr3 s ASP 119 N -2.39 -0.14 -0.20 3.54 2.15 -0.57 -4.94 116.67 114.13 1nr3 s ASP 119 Ca 0.06 -0.48 0.16 0.00 0.43 0.00 0.00 52.55 52.72 1nr3 s ASP 119 Cb -0.04 0.51 0.58 0.00 -0.30 0.00 0.00 42.92 43.67 1nr3 s ASP 119 CO 0.01 -0.96 1.49 0.00 -0.17 0.00 0.00 175.17 175.54 1nr3 n LEU 120 N -0.51 4.25 -1.64 -1.34 -0.00 -1.26 0.77 117.00 117.27 1nr3 n LEU 120 Ca -0.06 -3.04 0.00 0.00 -0.00 0.00 0.00 56.01 52.91 1nr3 n LEU 120 Cb 0.60 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1nr3 n LEU 120 CO 0.15 0.69 -0.47 -3.20 -0.00 0.00 0.00 177.39 174.57 1nr3 n ASN 121 N -0.35 -8.85 0.00 1.45 5.15 -1.26 -4.32 115.26 107.08 1nr3 n ASN 121 Ca 0.23 1.28 0.00 0.00 -0.60 0.00 0.00 54.58 55.50 1nr3 n ASN 121 Cb 0.96 -4.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 1nr3 n ASN 121 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42