#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 -4.18 0.03 0.63 -1.26 -4.94 116.66 106.95 1nr3 n ARG 2 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1nr3 n ARG 2 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1nr3 n ARG 2 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1nr3 s GLU 3 N -0.87 3.44 0.00 -0.14 2.12 -1.26 -4.05 118.70 117.94 1nr3 s GLU 3 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1nr3 s GLU 3 Cb 0.00 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1nr3 s GLU 3 CO 0.00 0.54 0.00 2.89 -0.54 0.00 0.00 175.26 178.15 1nr3 n ARG 4 N 2.69 0.00 -0.49 4.30 1.85 -1.26 -5.16 116.66 118.58 1nr3 n ARG 4 Ca -0.18 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.73 1nr3 n ARG 4 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 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 -0.29 -2.81 4.43 2.89 0.00 -1.26 -4.81 105.19 103.36 1nr3 n GLY 5 Ca 0.00 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.83 -1.30 -1.69 1.61 4.27 -1.26 -4.72 117.44 111.52 1nr3 n TRP 6 Ca -0.03 0.70 -0.42 0.00 -3.89 0.00 0.00 57.50 53.86 1nr3 n TRP 6 Cb 0.23 -2.27 -0.02 0.00 -1.36 0.00 0.00 31.31 27.89 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 -2.58 3.59 -3.83 -0.67 2.88 -1.26 -4.51 113.62 107.24 1nr3 n SER 7 Ca 0.02 -2.80 -0.29 0.00 -1.33 0.00 0.00 58.87 54.47 1nr3 n SER 7 Cb 0.51 -1.53 0.01 0.00 -0.75 0.00 0.00 64.21 62.44 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 6.72 -1.11 0.00 -1.46 6.02 -1.26 -4.92 117.38 121.37 1nr3 n GLN 8 Ca 0.51 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 1nr3 n GLN 8 Cb 0.41 -2.11 0.00 0.00 1.02 0.00 0.00 30.24 29.55 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nr3 n LYS 9 N -3.17 0.00 0.00 -1.09 5.02 -1.26 -4.94 118.16 112.71 1nr3 n LYS 9 Ca -0.25 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1nr3 n LYS 9 Cb 0.62 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1nr3 n LYS 10 N -1.21 0.00 -0.24 1.97 4.81 -1.26 -4.84 118.16 117.39 1nr3 n LYS 10 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1nr3 n LYS 10 Cb 0.00 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.20 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 -0.81 0.69 -0.35 3.15 5.41 -1.26 -4.19 119.36 122.00 1nr3 n ILE 11 Ca 0.00 -0.48 0.16 0.00 1.00 0.00 0.00 62.75 63.43 1nr3 n ILE 11 Cb 0.00 -0.02 0.37 0.00 -0.71 0.00 0.00 39.64 39.29 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 3.31 1.79 0.35 -1.39 0.00 -1.91 0.76 119.26 122.17 1nr3 h ALA 12 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nr3 h ALA 12 Cb 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1nr3 h ALA 12 CO 0.08 -0.22 -0.44 0.00 0.00 0.00 0.00 179.25 178.67 1nr3 h ARG 13 N 0.64 -0.81 0.00 0.00 2.47 -1.93 0.39 114.38 115.13 1nr3 h ARG 13 Ca 0.61 0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 59.39 1nr3 h ARG 13 Cb 1.12 0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1nr3 h ARG 13 CO -0.42 -0.54 -0.01 1.49 0.56 0.00 0.00 179.97 181.05 1nr3 h GLU 14 N -0.84 0.00 0.44 0.04 4.81 -1.45 -1.68 114.58 115.90 1nr3 h GLU 14 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1nr3 h GLU 14 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1nr3 h GLU 14 CO -0.12 0.01 -0.21 -0.07 -0.73 0.00 0.00 179.01 177.89 1nr3 h LEU 15 N 0.00 -0.50 -1.68 1.64 4.07 0.82 -2.13 115.31 117.53 1nr3 h LEU 15 Ca -0.00 0.01 0.26 0.00 0.08 0.00 0.00 57.88 58.22 1nr3 h LEU 15 Cb 0.03 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 1nr3 h LEU 15 CO 0.00 -0.07 0.67 0.11 -1.08 0.00 0.00 178.44 178.07 1nr3 h LYS 16 N -1.15 0.22 0.00 1.13 1.57 0.07 1.40 116.57 119.80 1nr3 h LYS 16 Ca -0.06 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1nr3 h LYS 16 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1nr3 h LYS 16 CO 0.10 0.15 -0.41 1.15 -0.57 0.00 0.00 179.45 179.87 1nr3 h THR 17 N 0.23 1.04 -3.88 -0.16 2.02 -1.26 -3.44 112.91 107.45 1nr3 h THR 17 Ca 0.50 -1.53 -0.46 0.00 0.77 0.00 0.00 66.41 65.69 1nr3 h THR 17 Cb 1.57 1.89 0.08 0.00 -1.74 0.00 0.00 68.15 69.95 1nr3 h THR 17 CO -0.13 0.40 0.25 0.28 0.37 0.00 0.00 175.52 176.69 1nr3 s THR 18 N -3.75 2.36 0.00 3.16 -1.32 0.48 -4.86 115.64 111.71 1nr3 s THR 18 Ca -0.01 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1nr3 s THR 18 Cb 0.12 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1nr3 s THR 18 CO 0.70 -0.05 0.00 -2.11 -2.21 0.00 0.00 174.62 170.95 1nr3 n ARG 19 N -2.95 0.00 -1.68 7.08 1.85 -1.26 -4.81 116.66 114.88 1nr3 n ARG 19 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.84 1nr3 n ARG 19 Cb 0.60 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.99 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 -1.64 -2.07 2.89 -0.06 -1.26 -0.62 117.38 114.61 1nr3 n GLN 20 Ca 0.00 0.48 -0.02 0.00 -2.00 0.00 0.00 57.00 55.46 1nr3 n GLN 20 Cb 0.00 -4.78 -0.00 0.00 -4.06 0.00 0.00 30.24 21.39 1nr3 n GLN 20 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1nr3 n ASN 21 N -0.60 -1.25 0.00 1.69 2.85 -1.26 -4.60 115.26 112.10 1nr3 n ASN 21 Ca -0.09 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 1nr3 n ASN 21 Cb 0.39 -1.28 0.00 0.00 1.24 0.00 0.00 39.78 40.13 1nr3 n ASN 21 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1nr3 n VAL 22 N -2.22 0.40 0.00 3.44 0.31 0.21 -4.98 118.33 115.49 1nr3 n VAL 22 Ca -0.03 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1nr3 n VAL 22 Cb 0.39 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.21 1nr3 n VAL 22 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nr3 n SER 23 N -0.20 0.00 -4.03 4.52 7.64 -0.96 -4.87 113.62 115.72 1nr3 n SER 23 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1nr3 n SER 23 Cb 0.17 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nr3 n ALA 24 N -2.70 -2.65 0.24 -0.43 0.00 -1.25 -4.78 120.51 108.94 1nr3 n ALA 24 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 53.44 53.03 1nr3 n ALA 24 Cb 0.00 -2.12 0.55 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.11 0.47 -0.13 0.00 2.04 -1.96 -1.52 117.51 114.29 1nr3 h ILE 25 Ca -0.70 -0.92 -0.23 0.00 1.00 0.00 0.00 64.86 64.01 1nr3 h ILE 25 Cb 1.40 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1nr3 h ILE 25 CO 0.48 0.17 -0.82 1.05 0.00 0.00 0.00 178.15 179.03 1nr3 h GLU 26 N 0.00 0.79 0.19 2.37 9.09 -1.97 -0.52 114.58 124.52 1nr3 h GLU 26 Ca -0.00 -0.67 -0.01 0.00 0.05 0.00 0.00 59.36 58.73 1nr3 h GLU 26 Cb 0.63 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 1nr3 h GLU 26 CO 0.02 1.27 -0.09 0.00 0.05 0.00 0.00 179.01 180.26 1nr3 h ARG 27 N 0.53 -0.24 0.41 1.06 2.47 -1.84 -1.76 114.38 115.00 1nr3 h ARG 27 Ca -0.06 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1nr3 h ARG 27 Cb 1.45 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.81 1nr3 h ARG 27 CO 0.17 0.16 -0.33 0.87 0.56 0.00 0.00 179.97 181.40 1nr3 h LYS 28 N -0.78 -0.72 -0.31 0.04 1.79 -1.39 0.34 116.57 115.55 1nr3 h LYS 28 Ca -0.03 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1nr3 h LYS 28 Cb 0.52 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.26 1nr3 h LYS 28 CO 0.04 -0.48 -0.47 0.00 -1.08 0.00 0.00 179.45 177.47 1nr3 h ALA 29 N -0.28 -0.73 0.00 3.86 0.00 -1.18 0.96 119.26 121.90 1nr3 h ALA 29 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nr3 h ALA 29 Cb 0.65 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1nr3 h ALA 29 CO -0.02 -0.94 0.06 1.98 0.00 0.00 0.00 179.25 180.33 1nr3 h MET 30 N -0.36 0.00 -1.97 0.00 1.85 -1.13 -1.82 114.93 111.49 1nr3 h MET 30 Ca 0.06 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.99 1nr3 h MET 30 Cb 0.51 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.48 1nr3 h MET 30 CO -0.48 0.00 -0.16 0.39 -0.40 0.00 0.00 176.91 176.26 1nr3 n GLU 31 N -2.83 1.67 -3.46 0.39 -0.58 0.33 -4.66 120.64 111.50 1nr3 n GLU 31 Ca -0.02 -0.78 -0.23 0.00 -0.42 0.00 0.00 57.16 55.70 1nr3 n GLU 31 Cb 0.11 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 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 1.92 -2.87 -4.43 1.62 4.13 -1.06 -4.86 115.26 109.72 1nr3 n ASN 32 Ca 0.28 -0.41 -0.31 0.00 1.68 0.00 0.00 54.58 55.81 1nr3 n ASN 32 Cb 0.73 -2.42 0.18 0.00 -1.54 0.00 0.00 39.78 36.72 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 -3.72 0.00 0.00 2.41 3.06 -0.71 -4.83 119.36 115.57 1nr3 n ILE 33 Ca 0.01 -0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1nr3 n ILE 33 Cb 0.52 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 39.93 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 -3.01 0.00 0.00 9.51 0.28 -1.26 -5.00 120.64 121.15 1nr3 n GLU 34 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1nr3 n GLU 34 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1nr3 n LYS 35 N 0.00 0.00 0.00 3.44 0.00 -1.26 -5.11 118.16 115.23 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 0.00 0.03 3.14 7.64 -1.26 -4.99 113.62 118.18 1nr3 n SER 36 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1nr3 n SER 36 Cb 0.00 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.18 -0.12 1.43 -0.00 -2.01 -3.46 114.38 110.02 1nr3 h ARG 37 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1nr3 h ARG 37 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1nr3 h ARG 37 CO 0.00 -0.12 0.00 -1.71 0.00 0.00 0.00 179.97 178.14 1nr3 n ASN 38 N -3.23 -0.98 0.00 7.04 2.85 -1.26 -5.01 115.26 114.66 1nr3 n ASN 38 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1nr3 n ASN 38 Cb 0.11 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.70 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 -3.35 0.00 -0.28 -0.44 -1.04 -1.26 -1.34 114.28 106.57 1nr3 n THR 39 Ca 0.00 0.22 0.34 0.00 -2.04 0.00 0.00 64.05 62.57 1nr3 n THR 39 Cb 0.43 -0.53 0.69 0.00 -1.82 0.00 0.00 70.33 69.10 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 0.40 -4.42 -0.00 -1.92 0.55 115.31 109.92 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 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.47 1nr3 h ASP 41 N 0.00 -0.45 -0.82 0.17 3.58 -1.98 0.40 116.42 117.32 1nr3 h ASP 41 Ca 0.54 -0.12 0.15 0.00 0.42 0.00 0.00 57.03 58.02 1nr3 h ASP 41 Cb 2.44 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 43.55 1nr3 h ASP 41 CO -0.01 -0.10 0.54 0.15 -2.88 0.00 0.00 179.24 176.95 1nr3 h PHE 42 N -0.86 0.61 0.00 0.28 3.04 0.14 0.48 116.94 120.63 1nr3 h PHE 42 Ca -0.05 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.80 1nr3 h PHE 42 Cb 0.55 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 1nr3 h PHE 42 CO 0.02 0.22 -0.54 0.28 -2.02 0.00 0.00 178.31 176.27 1nr3 h VAL 43 N 0.51 0.95 -0.15 1.41 2.07 -1.13 -3.14 116.25 116.77 1nr3 h VAL 43 Ca 0.41 -2.27 -0.12 0.00 0.82 0.00 0.00 66.70 65.53 1nr3 h VAL 43 Cb 0.83 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1nr3 h VAL 43 CO -0.15 0.53 -0.44 0.11 0.02 0.00 0.00 177.57 177.64 1nr3 h LYS 44 N 0.00 0.36 -0.93 1.57 1.79 0.44 -2.81 116.57 116.99 1nr3 h LYS 44 Ca -0.01 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1nr3 h LYS 44 Cb 1.38 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.98 1nr3 h LYS 44 CO 0.07 0.73 0.61 1.03 -1.08 0.00 0.00 179.45 180.81 1nr3 h SER 45 N 0.30 1.03 -0.97 0.86 0.87 -1.01 -2.31 113.55 112.31 1nr3 h SER 45 Ca 0.02 -0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.77 1nr3 h SER 45 Cb 0.89 -0.25 -0.18 0.00 -0.44 0.00 0.00 62.40 62.42 1nr3 h SER 45 CO 0.07 0.72 -0.20 0.18 -0.53 0.00 0.00 176.83 177.07 1nr3 n LEU 46 N -4.42 -0.32 -2.48 2.23 4.77 -1.06 -4.84 117.00 110.89 1nr3 n LEU 46 Ca 0.12 1.67 -0.05 0.00 -0.03 0.00 0.00 56.01 57.72 1nr3 n LEU 46 Cb 0.06 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1nr3 n LEU 46 CO 0.36 -1.61 0.11 1.17 -1.33 0.00 0.00 177.39 176.08 1nr3 n LYS 47 N -5.56 -1.06 -4.26 3.23 0.00 -0.87 -5.03 118.16 104.61 1nr3 n LYS 47 Ca 0.17 0.79 -0.35 0.00 0.00 0.00 0.00 58.31 58.91 1nr3 n LYS 47 Cb 0.52 -4.03 -0.09 0.00 0.00 0.00 0.00 35.03 31.43 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1nr3 s SER 48 N -2.92 5.49 0.70 3.14 1.04 -1.25 -4.80 113.70 115.10 1nr3 s SER 48 Ca 0.14 0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 1nr3 s SER 48 Cb -0.02 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.51 1nr3 s SER 48 CO 0.44 0.38 1.06 -2.16 0.98 0.00 0.00 173.24 173.94 1nr3 s PRO 49 N -0.98 2.89 -0.06 4.02 0.04 -1.16 -4.34 135.00 135.41 1nr3 s PRO 49 Ca 0.14 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 61.89 1nr3 s PRO 49 Cb -0.11 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1nr3 s PRO 49 CO 0.03 -1.13 0.52 0.08 0.04 0.00 0.00 177.00 176.54 1nr3 s VAL 50 N -3.05 0.02 -0.09 -0.36 1.01 0.10 -4.95 120.40 113.08 1nr3 s VAL 50 Ca 0.58 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1nr3 s VAL 50 Cb -0.14 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1nr3 s VAL 50 CO 0.55 -0.10 0.23 -0.60 0.00 0.00 0.00 175.10 175.18 1nr3 s ARG 51 N -1.01 0.25 -0.08 2.72 3.52 -1.26 -0.41 118.95 122.68 1nr3 s ARG 51 Ca -0.10 0.36 -0.24 0.00 -0.13 0.00 0.00 55.73 55.62 1nr3 s ARG 51 Cb -0.03 0.08 0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1nr3 s ARG 51 CO 0.06 -0.06 0.55 0.96 -0.81 0.00 0.00 175.30 176.00 1nr3 s ILE 52 N 0.36 0.02 0.13 4.11 -4.36 -0.21 -4.67 121.20 116.58 1nr3 s ILE 52 Ca -0.02 -0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.18 1nr3 s ILE 52 Cb -0.03 -0.85 -0.06 0.00 1.25 0.00 0.00 42.46 42.77 1nr3 s ILE 52 CO -0.02 -0.07 0.37 -0.22 0.24 0.00 0.00 174.94 175.24 1nr3 s LEU 53 N -0.88 4.28 -0.06 0.37 0.20 -1.26 -0.52 118.68 120.81 1nr3 s LEU 53 Ca -0.09 0.61 0.04 0.00 0.69 0.00 0.00 54.13 55.38 1nr3 s LEU 53 Cb -0.02 -3.24 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 1nr3 s LEU 53 CO 0.06 0.08 -0.19 0.00 -0.29 0.00 0.00 176.35 176.01 1nr3 n ARG 55 N 2.73 1.55 -1.62 0.00 5.12 -1.26 -1.70 116.66 121.48 1nr3 n ARG 55 Ca -0.17 -1.13 -0.49 0.00 -1.93 0.00 0.00 57.85 54.13 1nr3 n ARG 55 Cb 0.52 0.33 -0.05 0.00 -1.16 0.00 0.00 32.46 32.10 1nr3 n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nr3 n ARG 56 N -0.38 1.58 0.31 5.56 1.74 -1.26 -4.65 116.66 119.57 1nr3 n ARG 56 Ca -0.06 0.57 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1nr3 n ARG 56 Cb 0.20 -2.24 0.65 0.00 -1.02 0.00 0.00 32.46 30.05 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 4.81 0.00 1.51 -0.13 0.00 -1.87 1.10 103.07 108.49 1nr3 h GLY 57 Ca -0.46 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 1nr3 h GLY 57 CO 0.80 0.00 -0.64 -1.80 0.00 0.00 0.00 176.54 174.90 1nr3 h ASP 58 N 0.00 0.57 -0.67 0.19 -0.00 -1.94 -2.95 116.42 111.62 1nr3 h ASP 58 Ca 0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 1nr3 h ASP 58 Cb 0.99 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.15 1nr3 h ASP 58 CO -0.00 1.07 0.00 1.07 -0.00 0.00 0.00 179.24 181.38 1nr3 n THR 59 N -3.90 1.00 -0.34 2.25 5.66 0.36 -4.42 114.28 114.88 1nr3 n THR 59 Ca -0.04 -1.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.00 1nr3 n THR 59 Cb 0.66 0.50 0.19 0.00 -1.55 0.00 0.00 70.33 70.12 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 3.92 0.89 -0.23 1.09 5.85 -0.71 1.59 115.31 127.73 1nr3 h LEU 60 Ca 0.00 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1nr3 h LEU 60 Cb 0.95 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1nr3 h LEU 60 CO 0.00 0.53 -0.01 -2.24 -0.34 0.00 0.00 178.44 176.38 1nr3 h ASP 61 N 1.00 -0.10 -0.19 1.25 -0.00 -1.78 0.40 116.42 117.00 1nr3 h ASP 61 Ca 0.43 0.05 -0.16 0.00 -0.00 0.00 0.00 57.03 57.36 1nr3 h ASP 61 Cb 0.31 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.74 1nr3 h ASP 61 CO -0.22 -0.02 -0.51 -0.08 -0.00 0.00 0.00 179.24 178.41 1nr3 h GLU 62 N 0.06 0.68 -0.73 4.15 4.22 -1.52 -3.00 114.58 118.44 1nr3 h GLU 62 Ca 0.11 -0.48 0.11 0.00 0.08 0.00 0.00 59.36 59.18 1nr3 h GLU 62 Cb 0.14 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1nr3 h GLU 62 CO -0.19 1.10 0.48 0.97 -2.18 0.00 0.00 179.01 179.20 1nr3 h ILE 63 N 0.37 0.89 -0.79 2.32 -0.00 0.27 0.22 117.51 120.79 1nr3 h ILE 63 Ca -0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 64.86 64.64 1nr3 h ILE 63 Cb 1.13 0.29 -0.04 0.00 -0.00 0.00 0.00 36.82 38.20 1nr3 h ILE 63 CO 0.11 0.10 0.41 0.40 -0.00 0.00 0.00 178.15 179.17 1nr3 h ILE 64 N 0.55 1.24 -0.49 2.19 5.03 -0.08 0.91 117.51 126.86 1nr3 h ILE 64 Ca 0.35 -0.62 -0.04 0.00 -0.12 0.00 0.00 64.86 64.42 1nr3 h ILE 64 Cb 0.59 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 1nr3 h ILE 64 CO -0.12 0.27 0.14 0.50 -0.68 0.00 0.00 178.15 178.26 1nr3 h LYS 65 N 1.11 0.78 -0.10 2.37 3.64 -0.56 0.35 116.57 124.15 1nr3 h LYS 65 Ca 0.28 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1nr3 h LYS 65 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nr3 h LYS 65 CO -0.04 0.74 -0.62 0.00 -2.27 0.00 0.00 179.45 177.26 1nr3 h ARG 66 N 0.67 0.35 -0.22 1.90 2.47 -0.63 -3.13 114.38 115.78 1nr3 h ARG 66 Ca 0.16 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.58 1nr3 h ARG 66 Cb 0.30 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1nr3 h ARG 66 CO -0.00 0.85 -0.07 -0.07 0.56 0.00 0.00 179.97 181.24 1nr3 h LEU 67 N 0.25 0.45 -0.84 3.04 3.38 0.12 -2.95 115.31 118.77 1nr3 h LEU 67 Ca -0.01 -0.38 0.21 0.00 0.09 0.00 0.00 57.88 57.79 1nr3 h LEU 67 Cb 1.14 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1nr3 h LEU 67 CO 0.10 0.73 0.17 0.17 0.09 0.00 0.00 178.44 179.71 1nr3 h LEU 68 N 0.17 -0.08 -2.16 1.67 8.10 -0.26 2.27 115.31 125.02 1nr3 h LEU 68 Ca 0.05 0.19 0.07 0.00 0.11 0.00 0.00 57.88 58.30 1nr3 h LEU 68 Cb 0.54 0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 1nr3 h LEU 68 CO 0.03 -0.15 0.28 -0.33 -4.11 0.00 0.00 178.44 174.16 1nr3 h GLU 69 N 0.19 0.00 0.06 0.17 4.39 -1.48 2.15 114.58 120.06 1nr3 h GLU 69 Ca 0.51 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.84 1nr3 h GLU 69 Cb 0.98 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 1nr3 h GLU 69 CO -0.65 0.00 -2.12 0.39 -1.16 0.00 0.00 179.01 175.48 1nr3 n GLU 70 N -3.66 0.69 -0.02 2.33 -0.58 0.71 -4.00 120.64 116.11 1nr3 n GLU 70 Ca 0.03 0.26 -0.01 0.00 -0.42 0.00 0.00 57.16 57.03 1nr3 n GLU 70 Cb 0.41 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 -0.17 0.00 -1.97 1.62 0.02 0.14 -3.26 113.55 109.93 1nr3 h SER 71 Ca -0.49 0.00 0.57 0.00 -0.84 0.00 0.00 61.79 61.03 1nr3 h SER 71 Cb 1.87 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.33 1nr3 h SER 71 CO -0.05 0.17 1.41 -3.20 -1.14 0.00 0.00 176.83 174.02 1nr3 n ASN 72 N -2.82 0.00 0.28 3.07 5.15 0.72 0.17 115.26 121.84 1nr3 n ASN 72 Ca -0.01 0.99 -0.16 0.00 -0.60 0.00 0.00 54.58 54.81 1nr3 n ASN 72 Cb 0.03 -0.50 -0.08 0.00 -0.53 0.00 0.00 39.78 38.70 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1nr3 h LYS 73 N 0.00 -0.67 -0.02 1.20 1.79 -1.58 -2.63 116.57 114.65 1nr3 h LYS 73 Ca 0.94 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.45 1nr3 h LYS 73 Cb 3.76 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 34.56 1nr3 h LYS 73 CO -0.02 -0.39 0.00 -0.85 -1.08 0.00 0.00 179.45 177.12 1nr3 n GLU 74 N -5.33 1.26 -1.87 3.15 0.28 0.46 -4.85 120.64 113.73 1nr3 n GLU 74 Ca -0.12 -0.37 0.00 0.00 -0.16 0.00 0.00 57.16 56.51 1nr3 n GLU 74 Cb 0.32 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.73 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 1.03 4.34 3.90 -1.84 0.00 0.33 -5.07 105.19 107.88 1nr3 n GLY 75 Ca 0.20 -2.04 -0.29 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 -1.17 5.01 -0.70 -0.61 1.10 -1.26 -4.71 121.20 118.86 1nr3 s ILE 76 Ca 0.00 0.12 -0.28 0.00 -0.51 0.00 0.00 60.65 59.98 1nr3 s ILE 76 Cb 0.00 -3.72 -0.13 0.00 0.15 0.00 0.00 42.46 38.76 1nr3 s ILE 76 CO 0.00 -0.31 2.53 1.57 -2.11 0.00 0.00 174.94 176.62 1nr3 n HIS 77 N -0.87 1.07 -4.21 3.50 -0.00 -1.26 -4.72 115.22 108.73 1nr3 n HIS 77 Ca -0.01 0.22 -0.16 0.00 -0.00 0.00 0.00 57.72 57.76 1nr3 n HIS 77 Cb 0.54 -2.52 -0.13 0.00 -0.00 0.00 0.00 29.99 27.87 1nr3 n HIS 77 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nr3 s VAL 78 N 10.93 0.65 -0.60 3.57 1.01 -1.26 -4.82 120.40 129.87 1nr3 s VAL 78 Ca 1.13 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1nr3 s VAL 78 Cb -0.61 -0.61 0.39 0.00 0.00 0.00 0.00 36.38 35.55 1nr3 s VAL 78 CO 0.35 -0.04 1.38 2.30 0.00 0.00 0.00 175.10 179.09 1nr3 n ILE 79 N 2.27 3.01 -2.50 2.22 -5.35 -1.26 -4.89 119.36 112.86 1nr3 n ILE 79 Ca -0.17 -4.90 -0.24 0.00 -0.27 0.00 0.00 62.75 57.16 1nr3 n ILE 79 Cb 0.56 -1.29 0.04 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 -3.73 3.05 0.41 4.28 3.76 -1.26 -4.47 115.29 117.34 1nr3 s HIS 80 Ca 0.49 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.82 1nr3 s HIS 80 Cb 0.38 -2.81 -0.06 0.00 1.11 0.00 0.00 32.58 31.21 1nr3 s HIS 80 CO -0.24 -0.93 0.14 -0.51 -0.85 0.00 0.00 174.74 172.35 1nr3 s ASP 81 N -4.38 4.31 0.38 1.40 1.11 -1.26 -4.91 116.67 113.31 1nr3 s ASP 81 Ca 0.56 -1.15 0.09 0.00 0.18 0.00 0.00 52.55 52.23 1nr3 s ASP 81 Cb -0.10 -0.45 0.78 0.00 1.07 0.00 0.00 42.92 44.21 1nr3 s ASP 81 CO 0.42 -0.53 1.92 0.28 1.18 0.00 0.00 175.17 178.44 1nr3 h SER 82 N 1.50 0.26 -0.28 0.27 0.02 -1.96 0.76 113.55 114.12 1nr3 h SER 82 Ca -0.43 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1nr3 h SER 82 Cb 1.25 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1nr3 h SER 82 CO 0.72 0.39 -0.32 0.40 -1.14 0.00 0.00 176.83 176.89 1nr3 h ILE 83 N 0.27 1.28 0.08 3.27 2.04 -1.97 -2.52 117.51 119.96 1nr3 h ILE 83 Ca 0.06 -1.47 -0.25 0.00 1.00 0.00 0.00 64.86 64.20 1nr3 h ILE 83 Cb 0.34 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1nr3 h ILE 83 CO 0.02 0.49 -1.13 0.74 0.00 0.00 0.00 178.15 178.26 1nr3 h THR 84 N 0.67 1.55 -0.63 -0.27 2.02 -1.75 -3.21 112.91 111.29 1nr3 h THR 84 Ca 0.07 -3.10 0.05 0.00 0.77 0.00 0.00 66.41 64.20 1nr3 h THR 84 Cb 0.86 2.86 -0.04 0.00 -1.74 0.00 0.00 68.15 70.09 1nr3 h THR 84 CO 0.08 0.90 0.42 -0.07 0.37 0.00 0.00 175.52 177.21 1nr3 h LEU 85 N 0.06 0.60 -0.46 2.58 4.07 0.64 0.69 115.31 123.49 1nr3 h LEU 85 Ca -0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 1nr3 h LEU 85 Cb 1.86 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.45 1nr3 h LEU 85 CO 0.18 0.41 0.08 0.00 -1.08 0.00 0.00 178.44 178.02 1nr3 h ALA 86 N 1.64 0.62 0.00 1.53 0.00 -1.46 0.68 119.26 122.27 1nr3 h ALA 86 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nr3 h ALA 86 Cb 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nr3 h ALA 86 CO -0.08 0.34 -0.00 0.35 0.00 0.00 0.00 179.25 179.86 1nr3 h PHE 87 N 0.63 -0.01 -0.55 0.00 3.57 -1.18 0.36 116.94 119.77 1nr3 h PHE 87 Ca 0.14 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1nr3 h PHE 87 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1nr3 h PHE 87 CO 0.03 0.53 0.34 -0.07 -2.23 0.00 0.00 178.31 176.91 1nr3 h LEU 88 N -0.55 0.66 -0.25 0.59 4.07 0.35 -2.54 115.31 117.65 1nr3 h LEU 88 Ca -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 1nr3 h LEU 88 Cb 0.54 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1nr3 h LEU 88 CO 0.00 0.51 0.02 0.40 -1.08 0.00 0.00 178.44 178.29 1nr3 h ILE 89 N 0.74 1.25 -1.33 1.22 1.08 0.35 -2.60 117.51 118.22 1nr3 h ILE 89 Ca 0.20 -0.86 0.42 0.00 -0.39 0.00 0.00 64.86 64.24 1nr3 h ILE 89 Cb -0.03 1.32 -0.12 0.00 -3.07 0.00 0.00 36.82 34.92 1nr3 h ILE 89 CO -0.04 0.27 0.87 0.03 -0.69 0.00 0.00 178.15 178.59 1nr3 h ARG 90 N 0.22 0.10 -0.16 2.37 3.08 0.15 2.60 114.38 122.74 1nr3 h ARG 90 Ca 0.07 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1nr3 h ARG 90 Cb 0.38 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1nr3 h ARG 90 CO 0.01 0.07 -0.64 0.93 -1.07 0.00 0.00 179.97 179.27 1nr3 h GLU 91 N 0.11 0.59 -0.00 0.04 4.39 -1.22 1.14 114.58 119.63 1nr3 h GLU 91 Ca 0.80 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1nr3 h GLU 91 Cb 2.53 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.25 1nr3 h GLU 91 CO -0.37 1.04 -0.29 1.63 -1.16 0.00 0.00 179.01 179.86 1nr3 n LYS 92 N -3.93 0.57 -2.70 2.33 4.76 0.71 -4.56 118.16 115.35 1nr3 n LYS 92 Ca -0.04 -0.31 -0.04 0.00 -2.87 0.00 0.00 58.31 55.05 1nr3 n LYS 92 Cb 0.66 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1nr3 n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr3 n ALA 93 N -0.94 -3.23 1.14 7.82 0.00 0.71 -4.87 120.51 121.14 1nr3 n ALA 93 Ca 0.11 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1nr3 n ALA 93 Cb 0.33 -2.78 0.57 0.00 0.00 0.00 0.00 19.45 17.57 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 0.39 -3.76 113.62 116.26 1nr3 n SER 94 Ca 0.13 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1nr3 n SER 94 Cb 0.63 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nr3 n HIS 95 N -1.13 0.00 -3.74 7.33 8.25 -1.26 -4.87 115.22 119.80 1nr3 n HIS 95 Ca 0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 1nr3 n HIS 95 Cb 0.11 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.42 3.30 0.44 -0.41 0.52 -1.25 -5.08 118.95 116.05 1nr3 s ARG 96 Ca 0.00 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 54.54 1nr3 s ARG 96 Cb 0.00 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 1nr3 s ARG 96 CO 0.00 -0.37 0.03 0.42 0.02 0.00 0.00 175.30 175.40 1nr3 s ILE 97 N 1.56 1.80 0.31 1.52 1.09 -1.26 -4.83 121.20 121.38 1nr3 s ILE 97 Ca 0.04 -1.97 -0.14 0.00 -1.10 0.00 0.00 60.65 57.48 1nr3 s ILE 97 Cb -0.17 -2.77 -0.09 0.00 -1.06 0.00 0.00 42.46 38.38 1nr3 s ILE 97 CO 0.03 0.00 0.71 0.54 -0.10 0.00 0.00 174.94 176.13 1nr3 s VAL 98 N -2.75 4.71 0.20 2.92 0.11 -1.26 -5.08 120.40 119.25 1nr3 s VAL 98 Ca 0.28 0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 60.09 1nr3 s VAL 98 Cb 0.07 -3.62 0.01 0.00 -1.53 0.00 0.00 36.38 31.31 1nr3 s VAL 98 CO 0.14 -0.15 0.46 -2.28 -3.33 0.00 0.00 175.10 169.94 1nr3 s HIS 99 N -1.94 0.13 -0.16 1.54 2.46 -1.26 -4.74 115.29 111.32 1nr3 s HIS 99 Ca 0.53 -0.49 -0.33 0.00 0.47 0.00 0.00 55.06 55.24 1nr3 s HIS 99 Cb -0.11 0.24 0.14 0.00 -0.13 0.00 0.00 32.58 32.72 1nr3 s HIS 99 CO 0.18 -0.90 1.14 -0.98 -2.47 0.00 0.00 174.74 171.71 1nr3 s ARG 100 N -3.94 0.41 0.11 2.88 1.04 -1.26 -4.94 118.95 113.25 1nr3 s ARG 100 Ca 0.15 -0.09 0.08 0.00 -1.04 0.00 0.00 55.73 54.82 1nr3 s ARG 100 Cb -0.00 0.19 -0.04 0.00 -2.04 0.00 0.00 34.95 33.06 1nr3 s ARG 100 CO 0.01 -0.17 -0.20 0.54 -0.04 0.00 0.00 175.30 175.44 1nr3 s VAL 101 N -2.19 1.69 -0.98 4.99 0.11 -1.26 -4.96 120.40 117.80 1nr3 s VAL 101 Ca 0.07 -1.56 -0.19 0.00 -2.93 0.00 0.00 61.98 57.37 1nr3 s VAL 101 Cb -0.01 -1.56 0.12 0.00 -1.53 0.00 0.00 36.38 33.40 1nr3 s VAL 101 CO -0.05 -0.09 1.23 0.54 -3.33 0.00 0.00 175.10 173.40 1nr3 s VAL 102 N -1.24 4.61 0.00 2.04 0.11 -1.26 -3.81 120.40 120.85 1nr3 s VAL 102 Ca 0.07 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 1nr3 s VAL 102 Cb -0.10 -4.85 0.00 0.00 -1.53 0.00 0.00 36.38 29.90 1nr3 s VAL 102 CO 0.04 -1.60 0.00 1.17 -3.33 0.00 0.00 175.10 171.38 1nr3 n LYS 103 N 6.88 0.00 -4.36 1.54 4.81 -1.26 -4.78 118.16 120.99 1nr3 n LYS 103 Ca 0.27 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.51 1nr3 n LYS 103 Cb 0.49 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.45 1nr3 n LYS 103 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1nr3 s SER 104 N -0.92 1.82 0.36 3.14 0.01 -1.25 -5.02 113.70 111.85 1nr3 s SER 104 Ca 0.00 -1.63 0.03 0.00 1.31 0.00 0.00 55.95 55.65 1nr3 s SER 104 Cb 0.00 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1nr3 s SER 104 CO 0.00 -0.94 0.55 -0.62 0.41 0.00 0.00 173.24 172.63 1nr3 s ASP 105 N -3.42 6.06 -0.30 2.44 2.15 -1.26 -4.26 116.67 118.07 1nr3 s ASP 105 Ca 0.34 0.19 -0.21 0.00 0.43 0.00 0.00 52.55 53.30 1nr3 s ASP 105 Cb 0.04 -1.64 0.20 0.00 -0.30 0.00 0.00 42.92 41.22 1nr3 s ASP 105 CO 0.19 -0.44 1.35 0.12 -0.17 0.00 0.00 175.17 176.22 1nr3 s PHE 106 N -2.32 -0.08 0.11 -5.34 5.36 -0.69 -4.61 117.98 110.42 1nr3 s PHE 106 Ca 0.43 0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.61 1nr3 s PHE 106 Cb -0.10 0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.82 1nr3 s PHE 106 CO 0.34 -0.04 0.09 -1.21 -1.46 0.00 0.00 175.22 172.95 1nr3 s GLU 107 N 0.52 2.85 -0.00 10.12 2.02 0.29 0.13 118.70 134.63 1nr3 s GLU 107 Ca -0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1nr3 s GLU 107 Cb -0.04 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.51 1nr3 s GLU 107 CO -0.13 0.53 0.03 0.42 0.02 0.00 0.00 175.26 176.13 1nr3 s ILE 108 N -1.52 0.03 0.23 -1.63 1.09 0.32 -1.90 121.20 117.82 1nr3 s ILE 108 Ca 0.30 -0.28 -0.22 0.00 -1.10 0.00 0.00 60.65 59.35 1nr3 s ILE 108 Cb -0.11 -0.14 0.04 0.00 -1.06 0.00 0.00 42.46 41.19 1nr3 s ILE 108 CO 0.22 -0.15 0.68 -0.83 -0.10 0.00 0.00 174.94 174.76 1nr3 s GLY 109 N -0.45 -0.30 0.22 6.18 0.00 0.11 -1.05 107.32 112.03 1nr3 s GLY 109 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 1nr3 s GLY 109 CO -0.00 0.01 0.34 0.54 0.00 0.00 0.00 173.10 173.99 1nr3 s VAL 110 N -3.84 0.01 -0.02 1.40 0.11 0.45 0.38 120.40 118.89 1nr3 s VAL 110 Ca 0.07 -1.58 0.05 0.00 -2.93 0.00 0.00 61.98 57.58 1nr3 s VAL 110 Cb -0.04 -2.23 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 1nr3 s VAL 110 CO -0.01 -0.05 0.07 0.35 -3.33 0.00 0.00 175.10 172.12 1nr3 n THR 111 N -0.32 0.14 0.00 5.04 -2.24 -1.22 0.01 114.28 115.70 1nr3 n THR 111 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1nr3 n THR 111 Cb 0.63 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.90 0.00 0.00 -0.78 1.74 -1.26 -2.99 116.66 111.47 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 0.37 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 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 -2.06 0.00 0.00 0.55 2.03 -1.26 -4.86 116.55 110.95 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 0.61 -1.92 0.00 0.00 177.20 175.89 1nr3 n GLY 114 N 0.00 -0.16 3.76 0.27 0.00 -1.26 -4.35 105.19 103.45 1nr3 n GLY 114 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.83 4.67 0.20 1.61 0.41 -1.26 -4.80 118.70 118.71 1nr3 s GLU 115 Ca 0.00 1.55 0.06 0.00 -0.41 0.00 0.00 54.97 56.17 1nr3 s GLU 115 Cb 0.00 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1nr3 s GLU 115 CO 0.00 0.32 -0.09 0.96 -0.49 0.00 0.00 175.26 175.95 1nr3 s ILE 116 N -1.31 1.42 -0.00 -1.63 -5.25 -1.26 -3.39 121.20 109.78 1nr3 s ILE 116 Ca 0.45 -2.12 0.03 0.00 -0.99 0.00 0.00 60.65 58.02 1nr3 s ILE 116 Cb -0.26 -2.10 -0.01 0.00 2.95 0.00 0.00 42.46 43.05 1nr3 s ILE 116 CO 0.33 -0.55 -0.10 0.27 -1.79 0.00 0.00 174.94 173.10 1nr3 s ILE 117 N -3.17 0.76 0.04 8.37 -5.25 0.16 -4.95 121.20 117.16 1nr3 s ILE 117 Ca 0.23 -0.48 0.01 0.00 -0.99 0.00 0.00 60.65 59.42 1nr3 s ILE 117 Cb 0.02 -0.65 -0.03 0.00 2.95 0.00 0.00 42.46 44.76 1nr3 s ILE 117 CO 0.06 0.16 -0.05 0.68 -1.79 0.00 0.00 174.94 174.00 1nr3 s VAL 118 N -0.32 0.38 -0.30 8.37 -7.23 -1.26 0.04 120.40 120.09 1nr3 s VAL 118 Ca 0.03 -1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 1nr3 s VAL 118 Cb -0.04 -0.78 0.18 0.00 0.56 0.00 0.00 36.38 36.30 1nr3 s VAL 118 CO -0.00 -0.57 1.17 -0.62 -0.31 0.00 0.00 175.10 174.77 1nr3 s ASP 119 N -1.94 -0.25 -0.58 4.85 -1.08 -0.80 -4.91 116.67 111.97 1nr3 s ASP 119 Ca -0.06 0.36 -0.02 0.00 -0.52 0.00 0.00 52.55 52.31 1nr3 s ASP 119 Cb -0.05 1.26 0.40 0.00 -1.46 0.00 0.00 42.92 43.06 1nr3 s ASP 119 CO -0.02 -0.05 2.03 0.00 0.52 0.00 0.00 175.17 177.65 1nr3 n LEU 120 N 4.45 7.39 -1.62 -1.34 -0.00 -1.26 0.11 117.00 124.72 1nr3 n LEU 120 Ca -0.09 -4.03 0.00 0.00 -0.00 0.00 0.00 56.01 51.89 1nr3 n LEU 120 Cb 0.55 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1nr3 n LEU 120 CO -0.03 1.40 -0.47 -3.20 -0.00 0.00 0.00 177.39 175.10 1nr3 n ASN 121 N -0.62 -8.74 -0.22 1.45 2.85 -1.26 -4.73 115.26 104.00 1nr3 n ASN 121 Ca 0.55 1.34 0.03 0.00 -0.11 0.00 0.00 54.58 56.38 1nr3 n ASN 121 Cb 0.66 -4.95 0.02 0.00 1.24 0.00 0.00 39.78 36.76 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95