#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 -1.74 -4.52 0.03 1.74 -1.26 -5.06 116.66 105.84 1nr3 n ARG 2 Ca 0.00 1.67 -0.25 0.00 -0.77 0.00 0.00 57.85 58.50 1nr3 n ARG 2 Cb 0.00 -4.10 -0.14 0.00 -1.02 0.00 0.00 32.46 27.21 1nr3 n ARG 2 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1nr3 s GLU 3 N -1.77 1.32 0.00 5.56 -1.05 -1.26 -5.12 118.70 116.38 1nr3 s GLU 3 Ca 0.12 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 1nr3 s GLU 3 Cb -0.03 -1.51 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 1nr3 s GLU 3 CO 0.50 0.37 0.00 -2.13 0.95 0.00 0.00 175.26 174.95 1nr3 n ARG 4 N 1.55 0.00 0.00 -4.83 3.00 -1.26 -5.10 116.66 110.02 1nr3 n ARG 4 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1nr3 n ARG 4 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1nr3 n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nr3 n GLY 5 N 0.00 0.54 3.71 5.14 0.00 -1.26 -4.85 105.19 108.48 1nr3 n GLY 5 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.14 -0.01 1.61 4.27 -1.26 -4.90 117.44 115.01 1nr3 n TRP 6 Ca 0.00 0.87 -0.02 0.00 -3.89 0.00 0.00 57.50 54.46 1nr3 n TRP 6 Cb 0.00 -2.92 -0.01 0.00 -1.36 0.00 0.00 31.31 27.03 1nr3 n TRP 6 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 1nr3 n SER 7 N -2.54 1.24 -2.68 -0.67 7.64 -1.26 -4.96 113.62 110.39 1nr3 n SER 7 Ca -0.29 0.01 -0.06 0.00 1.01 0.00 0.00 58.87 59.55 1nr3 n SER 7 Cb 0.67 -0.05 0.07 0.00 -1.01 0.00 0.00 64.21 63.89 1nr3 n SER 7 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1nr3 n GLN 8 N -2.93 0.74 0.00 1.43 0.00 -1.26 -4.99 117.38 110.36 1nr3 n GLN 8 Ca -0.04 -1.34 0.00 0.00 -0.00 0.00 0.00 57.00 55.63 1nr3 n GLN 8 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 30.24 30.66 1nr3 n GLN 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1nr3 n LYS 9 N -0.44 0.00 0.00 3.69 4.76 -1.26 -5.01 118.16 119.90 1nr3 n LYS 9 Ca -0.12 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1nr3 n LYS 9 Cb 0.76 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 1nr3 n LYS 9 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nr3 n LYS 10 N -0.94 0.00 0.00 1.97 4.81 -1.26 -4.89 118.16 117.84 1nr3 n LYS 10 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1nr3 n LYS 10 Cb 0.00 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.35 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 -0.31 0.00 -0.50 3.15 5.41 -1.26 -3.94 119.36 121.92 1nr3 n ILE 11 Ca 0.00 0.00 0.41 0.00 1.00 0.00 0.00 62.75 64.16 1nr3 n ILE 11 Cb 0.00 -0.27 0.68 0.00 -0.71 0.00 0.00 39.64 39.34 1nr3 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nr3 n ALA 12 N -0.69 1.42 0.34 -1.39 0.00 -1.26 0.12 120.51 119.06 1nr3 n ALA 12 Ca 0.07 0.78 -0.18 0.00 0.00 0.00 0.00 53.44 54.12 1nr3 n ALA 12 Cb 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 1nr3 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nr3 h ARG 13 N 0.00 -0.90 -0.05 0.00 2.47 -1.95 0.30 114.38 114.24 1nr3 h ARG 13 Ca 0.85 0.06 0.01 0.00 -1.26 0.00 0.00 59.98 59.65 1nr3 h ARG 13 Cb 2.91 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 31.43 1nr3 h ARG 13 CO -0.34 -0.60 0.06 1.49 0.56 0.00 0.00 179.97 181.13 1nr3 h GLU 14 N -0.94 0.00 0.19 0.04 4.57 0.64 -1.46 114.58 117.62 1nr3 h GLU 14 Ca -0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1nr3 h GLU 14 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1nr3 h GLU 14 CO 0.08 0.00 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.75 1nr3 h LEU 15 N 0.00 -0.21 -1.79 1.64 4.07 -0.26 -2.48 115.31 116.28 1nr3 h LEU 15 Ca 0.02 -0.31 0.19 0.00 0.08 0.00 0.00 57.88 57.86 1nr3 h LEU 15 Cb 0.14 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 1nr3 h LEU 15 CO -0.00 0.31 0.53 0.50 -1.08 0.00 0.00 178.44 178.70 1nr3 h LYS 16 N -0.86 0.18 0.00 1.13 1.63 0.22 0.87 116.57 119.75 1nr3 h LYS 16 Ca -0.03 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1nr3 h LYS 16 Cb 0.52 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1nr3 h LYS 16 CO 0.04 0.12 -0.42 1.15 -3.45 0.00 0.00 179.45 176.89 1nr3 h THR 17 N 0.19 1.05 -0.05 1.00 2.02 -1.21 -3.44 112.91 112.47 1nr3 h THR 17 Ca 0.38 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1nr3 h THR 17 Cb 1.19 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1nr3 h THR 17 CO -0.07 0.41 0.00 1.07 0.37 0.00 0.00 175.52 177.30 1nr3 n THR 18 N -3.67 0.00 -2.05 3.16 5.66 0.30 -4.87 114.28 112.81 1nr3 n THR 18 Ca -0.01 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1nr3 n THR 18 Cb 0.51 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.03 -0.94 1.09 3.00 -1.26 -4.89 116.66 113.63 1nr3 n ARG 19 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.42 1nr3 n ARG 19 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 32.46 29.87 1nr3 n ARG 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1nr3 n GLN 20 N -0.97 0.99 -2.71 -0.14 6.02 -1.26 -3.90 117.38 115.42 1nr3 n GLN 20 Ca -0.00 -1.56 -0.16 0.00 -0.01 0.00 0.00 57.00 55.27 1nr3 n GLN 20 Cb 0.50 -2.79 -0.00 0.00 1.02 0.00 0.00 30.24 28.97 1nr3 n GLN 20 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nr3 n ASN 21 N 8.09 -3.98 -3.66 1.08 5.15 -1.26 -4.90 115.26 115.78 1nr3 n ASN 21 Ca 0.49 0.02 -0.06 0.00 -0.60 0.00 0.00 54.58 54.43 1nr3 n ASN 21 Cb 0.41 -3.34 -0.07 0.00 -0.53 0.00 0.00 39.78 36.24 1nr3 n ASN 21 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1nr3 s VAL 22 N -2.73 -0.61 0.00 3.44 1.01 -1.25 -4.87 120.40 115.39 1nr3 s VAL 22 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1nr3 s VAL 22 Cb -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1nr3 s VAL 22 CO 0.15 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.74 1nr3 n SER 23 N 5.11 -2.48 -3.44 3.32 3.41 -1.26 -4.45 113.62 113.84 1nr3 n SER 23 Ca -0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 1nr3 n SER 23 Cb 0.51 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1nr3 n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr3 n ALA 24 N 0.48 6.18 0.65 7.33 0.00 -1.26 -4.46 120.51 129.43 1nr3 n ALA 24 Ca 0.00 -3.37 0.13 0.00 0.00 0.00 0.00 53.44 50.20 1nr3 n ALA 24 Cb 0.00 -3.39 0.44 0.00 0.00 0.00 0.00 19.45 16.50 1nr3 n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nr3 n ILE 25 N 4.32 0.55 0.01 0.00 5.41 -1.26 -1.56 119.36 126.84 1nr3 n ILE 25 Ca 0.63 -0.18 -0.18 0.00 1.00 0.00 0.00 62.75 64.02 1nr3 n ILE 25 Cb 0.28 -0.65 -0.12 0.00 -0.71 0.00 0.00 39.64 38.44 1nr3 n ILE 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1nr3 h GLU 26 N 0.00 0.38 0.16 0.38 9.09 -1.98 -0.74 114.58 121.87 1nr3 h GLU 26 Ca 0.00 -0.45 -0.30 0.00 0.05 0.00 0.00 59.36 58.67 1nr3 h GLU 26 Cb 0.66 0.14 0.02 0.00 -1.65 0.00 0.00 28.75 27.91 1nr3 h GLU 26 CO 0.00 1.13 -1.29 0.07 0.05 0.00 0.00 179.01 178.96 1nr3 h ARG 27 N -0.17 0.45 0.21 1.06 -0.00 -1.93 -1.56 114.38 112.44 1nr3 h ARG 27 Ca -0.09 -0.69 -0.01 0.00 -0.00 0.00 0.00 59.98 59.19 1nr3 h ARG 27 Cb 1.37 0.25 0.00 0.00 -0.00 0.00 0.00 29.97 31.59 1nr3 h ARG 27 CO 0.12 1.31 -0.10 -0.22 -0.00 0.00 0.00 179.97 181.09 1nr3 h LYS 28 N 0.15 -0.27 0.10 0.08 1.63 -1.39 0.14 116.57 117.01 1nr3 h LYS 28 Ca -0.18 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1nr3 h LYS 28 Cb 1.99 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 33.68 1nr3 h LYS 28 CO 0.23 0.03 -0.07 0.00 -3.45 0.00 0.00 179.45 176.20 1nr3 h ALA 29 N 0.11 -0.16 -0.03 5.00 0.00 -1.24 -1.23 119.26 121.72 1nr3 h ALA 29 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nr3 h ALA 29 Cb 0.43 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nr3 h ALA 29 CO 0.05 -0.59 0.04 1.98 0.00 0.00 0.00 179.25 180.72 1nr3 h MET 30 N -0.17 0.00 -2.22 0.00 1.85 -1.28 -2.23 114.93 110.88 1nr3 h MET 30 Ca -0.01 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.97 1nr3 h MET 30 Cb 0.14 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1nr3 h MET 30 CO 0.01 0.00 -0.11 0.39 -0.40 0.00 0.00 176.91 176.79 1nr3 n GLU 31 N -3.76 1.29 -3.43 0.39 -0.58 0.48 -4.58 120.64 110.45 1nr3 n GLU 31 Ca -0.02 -0.57 -0.21 0.00 -0.42 0.00 0.00 57.16 55.94 1nr3 n GLU 31 Cb 0.12 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.26 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 2.43 -1.92 -0.12 1.62 3.02 -1.13 -4.69 115.26 114.47 1nr3 n ASN 32 Ca 0.24 -0.33 0.27 0.00 -0.03 0.00 0.00 54.58 54.73 1nr3 n ASN 32 Cb 0.60 -1.69 0.72 0.00 -0.61 0.00 0.00 39.78 38.79 1nr3 n ASN 32 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1nr3 h ILE 33 N -0.51 0.47 0.00 2.41 2.10 -1.42 -2.94 117.51 117.63 1nr3 h ILE 33 Ca -0.31 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.20 1nr3 h ILE 33 Cb 1.21 0.55 0.02 0.00 -1.09 0.00 0.00 36.82 37.50 1nr3 h ILE 33 CO 0.45 0.00 2.78 -0.62 -1.08 0.00 0.00 178.15 179.68 1nr3 n GLU 34 N -4.07 2.35 -0.94 2.19 4.71 -1.26 -3.18 120.64 120.43 1nr3 n GLU 34 Ca 0.16 -1.57 -0.04 0.00 -0.01 0.00 0.00 57.16 55.70 1nr3 n GLU 34 Cb 0.91 -2.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.80 1nr3 n GLU 34 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1nr3 n LYS 35 N 4.07 0.00 -1.01 3.49 5.02 -1.11 -5.05 118.16 123.57 1nr3 n LYS 35 Ca 0.50 -0.93 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1nr3 n LYS 35 Cb 0.15 0.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1nr3 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nr3 n SER 36 N 0.06 -1.34 0.00 4.39 2.88 -1.19 -5.09 113.62 113.33 1nr3 n SER 36 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1nr3 n SER 36 Cb 0.72 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1nr3 n SER 36 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nr3 n ARG 37 N -0.12 0.00 -3.70 -1.46 5.12 -1.25 -5.05 116.66 110.20 1nr3 n ARG 37 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1nr3 n ARG 37 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 1nr3 n ARG 37 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nr3 n ASN 38 N -2.35 -2.34 0.00 0.55 4.13 -1.26 -4.91 115.26 109.08 1nr3 n ASN 38 Ca 0.00 -0.89 0.00 0.00 1.68 0.00 0.00 54.58 55.37 1nr3 n ASN 38 Cb 0.00 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.41 1nr3 n ASN 38 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1nr3 n THR 39 N -4.19 0.00 -0.13 3.41 -1.04 -1.26 -1.27 114.28 109.80 1nr3 n THR 39 Ca -0.24 0.02 0.27 0.00 -2.04 0.00 0.00 64.05 62.06 1nr3 n THR 39 Cb 0.66 -0.05 0.59 0.00 -1.82 0.00 0.00 70.33 69.71 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 0.15 -4.42 -0.00 -1.98 0.62 115.31 109.68 1nr3 h LEU 40 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 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 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.59 1nr3 h ASP 41 N 0.00 -0.17 -1.11 0.17 3.58 -1.89 0.32 116.42 117.31 1nr3 h ASP 41 Ca 0.41 -0.34 0.31 0.00 0.42 0.00 0.00 57.03 57.82 1nr3 h ASP 41 Cb 2.24 0.05 -0.10 0.00 1.72 0.00 0.00 39.33 43.24 1nr3 h ASP 41 CO -0.00 0.40 0.72 0.15 -2.88 0.00 0.00 179.24 177.63 1nr3 h PHE 42 N -0.91 0.58 0.18 0.28 3.04 0.16 0.62 116.94 120.89 1nr3 h PHE 42 Ca -0.02 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.64 1nr3 h PHE 42 Cb 0.51 -0.16 0.02 0.00 2.56 0.00 0.00 35.95 38.87 1nr3 h PHE 42 CO 0.09 -0.00 -1.43 -0.24 -2.02 0.00 0.00 178.31 174.71 1nr3 h VAL 43 N 0.29 1.31 -1.00 1.41 3.04 -1.36 -3.27 116.25 116.68 1nr3 h VAL 43 Ca 0.64 -2.84 0.22 0.00 -1.01 0.00 0.00 66.70 63.71 1nr3 h VAL 43 Cb 1.80 2.94 -0.12 0.00 -2.01 0.00 0.00 31.29 33.90 1nr3 h VAL 43 CO -0.30 0.85 0.60 0.07 -1.01 0.00 0.00 177.57 177.78 1nr3 h LYS 44 N 0.10 0.63 0.00 4.17 5.09 0.24 1.50 116.57 128.31 1nr3 h LYS 44 Ca -0.22 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.49 1nr3 h LYS 44 Cb 2.07 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 34.25 1nr3 h LYS 44 CO 0.22 0.42 0.21 1.03 -2.09 0.00 0.00 179.45 179.24 1nr3 h SER 45 N 0.65 0.00 -1.44 7.07 0.87 -1.32 -1.83 113.55 117.55 1nr3 h SER 45 Ca 0.62 0.00 0.46 0.00 -1.23 0.00 0.00 61.79 61.64 1nr3 h SER 45 Cb 1.09 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.93 1nr3 h SER 45 CO -0.44 0.00 0.96 -0.07 -0.53 0.00 0.00 176.83 176.75 1nr3 h LEU 46 N 0.00 0.18 -1.42 2.23 3.38 0.19 -3.45 115.31 116.43 1nr3 h LEU 46 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nr3 h LEU 46 Cb 0.42 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1nr3 h LEU 46 CO 0.00 -0.15 0.00 1.17 0.09 0.00 0.00 178.44 179.55 1nr3 n LYS 47 N -4.53 0.00 -4.06 1.13 4.81 -0.69 -5.08 118.16 109.74 1nr3 n LYS 47 Ca 0.38 0.24 -0.32 0.00 -0.87 0.00 0.00 58.31 57.74 1nr3 n LYS 47 Cb 1.55 -0.71 -0.15 0.00 0.02 0.00 0.00 35.03 35.73 1nr3 n LYS 47 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1nr3 s SER 48 N -0.88 4.46 0.52 3.14 0.01 -1.24 -4.95 113.70 114.75 1nr3 s SER 48 Ca 0.00 -1.37 -0.19 0.00 1.31 0.00 0.00 55.95 55.70 1nr3 s SER 48 Cb 0.00 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1nr3 s SER 48 CO 0.00 -0.19 1.04 -2.16 0.41 0.00 0.00 173.24 172.34 1nr3 s PRO 49 N 1.12 3.68 0.14 12.44 0.04 -0.83 -4.14 135.00 147.45 1nr3 s PRO 49 Ca -0.08 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1nr3 s PRO 49 Cb -0.20 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1nr3 s PRO 49 CO -0.05 -0.53 0.40 0.08 0.04 0.00 0.00 177.00 176.95 1nr3 s VAL 50 N -2.15 0.07 -0.28 -0.36 1.01 -0.02 -4.96 120.40 113.71 1nr3 s VAL 50 Ca 0.66 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1nr3 s VAL 50 Cb -0.16 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 35.01 1nr3 s VAL 50 CO 0.25 -0.30 0.74 -0.60 0.00 0.00 0.00 175.10 175.19 1nr3 s ARG 51 N -3.83 0.74 -0.06 2.72 3.52 -1.26 -0.80 118.95 119.98 1nr3 s ARG 51 Ca 0.05 1.05 -0.23 0.00 -0.13 0.00 0.00 55.73 56.48 1nr3 s ARG 51 Cb 0.02 0.27 0.05 0.00 -1.56 0.00 0.00 34.95 33.72 1nr3 s ARG 51 CO -0.10 -0.12 0.51 0.96 -0.81 0.00 0.00 175.30 175.74 1nr3 s ILE 52 N 0.95 0.02 0.03 4.11 -4.36 -0.28 -4.67 121.20 117.00 1nr3 s ILE 52 Ca -0.04 -0.20 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 1nr3 s ILE 52 Cb -0.05 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 1nr3 s ILE 52 CO -0.09 -0.11 0.25 -0.22 0.24 0.00 0.00 174.94 175.01 1nr3 s LEU 53 N -1.04 4.35 -0.12 0.37 0.20 -1.26 -0.94 118.68 120.23 1nr3 s LEU 53 Ca -0.11 0.44 -0.03 0.00 0.69 0.00 0.00 54.13 55.12 1nr3 s LEU 53 Cb -0.03 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.88 1nr3 s LEU 53 CO 0.06 0.21 -0.01 0.00 -0.29 0.00 0.00 176.35 176.32 1nr3 n ARG 55 N 2.84 1.36 -1.66 0.00 5.12 -1.26 -1.09 116.66 121.97 1nr3 n ARG 55 Ca -0.18 -1.69 -0.48 0.00 -1.93 0.00 0.00 57.85 53.57 1nr3 n ARG 55 Cb 0.53 0.40 -0.05 0.00 -1.16 0.00 0.00 32.46 32.18 1nr3 n ARG 55 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1nr3 n ARG 56 N -0.70 1.94 -0.27 5.56 1.85 -1.26 -4.69 116.66 119.09 1nr3 n ARG 56 Ca -0.08 0.70 0.30 0.00 -1.00 0.00 0.00 57.85 57.77 1nr3 n ARG 56 Cb 0.30 -2.46 0.69 0.00 -1.05 0.00 0.00 32.46 29.94 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 6.48 0.23 1.84 2.89 0.00 -1.86 1.26 103.07 113.92 1nr3 h GLY 57 Ca -0.46 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1nr3 h GLY 57 CO 0.89 -0.02 0.07 -1.80 0.00 0.00 0.00 176.54 175.67 1nr3 h ASP 58 N 0.08 0.00 -0.26 0.19 3.58 -1.92 0.27 116.42 118.37 1nr3 h ASP 58 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1nr3 h ASP 58 Cb 1.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.94 1nr3 h ASP 58 CO -0.06 0.00 0.00 1.07 -2.88 0.00 0.00 179.24 177.37 1nr3 n THR 59 N -3.60 0.80 -0.33 2.25 5.66 0.43 -4.60 114.28 114.90 1nr3 n THR 59 Ca -0.02 -0.90 0.14 0.00 -3.05 0.00 0.00 64.05 60.22 1nr3 n THR 59 Cb 0.15 0.64 0.32 0.00 -1.55 0.00 0.00 70.33 69.90 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 1.87 0.57 -0.17 1.09 5.85 0.31 2.07 115.31 126.91 1nr3 h LEU 60 Ca 0.00 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1nr3 h LEU 60 Cb 0.65 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1nr3 h LEU 60 CO 0.00 0.13 -0.06 -2.24 -0.34 0.00 0.00 178.44 175.93 1nr3 h ASP 61 N 0.57 -0.20 -0.18 1.25 2.03 -1.81 0.26 116.42 118.34 1nr3 h ASP 61 Ca 0.58 0.06 -0.19 0.00 -0.73 0.00 0.00 57.03 56.75 1nr3 h ASP 61 Cb 1.01 0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1nr3 h ASP 61 CO -0.45 -0.08 -0.62 -0.08 -1.03 0.00 0.00 179.24 176.98 1nr3 h GLU 62 N -0.03 0.74 -0.52 4.15 4.22 -0.92 -2.97 114.58 119.25 1nr3 h GLU 62 Ca 0.09 -0.55 0.13 0.00 0.08 0.00 0.00 59.36 59.10 1nr3 h GLU 62 Cb 0.16 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1nr3 h GLU 62 CO -0.19 1.17 0.37 0.97 -2.18 0.00 0.00 179.01 179.15 1nr3 h ILE 63 N 0.45 0.80 -0.23 2.32 -0.00 0.36 0.55 117.51 121.75 1nr3 h ILE 63 Ca -0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 64.86 64.79 1nr3 h ILE 63 Cb 1.24 0.65 -0.01 0.00 -0.00 0.00 0.00 36.82 38.70 1nr3 h ILE 63 CO 0.13 0.02 0.13 0.40 -0.00 0.00 0.00 178.15 178.84 1nr3 h ILE 64 N 0.13 1.10 -0.66 2.19 2.04 -0.32 0.92 117.51 122.91 1nr3 h ILE 64 Ca 0.25 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1nr3 h ILE 64 Cb 0.81 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1nr3 h ILE 64 CO -0.03 0.10 0.37 0.50 0.00 0.00 0.00 178.15 179.09 1nr3 h LYS 65 N 0.27 0.91 -0.06 2.37 3.64 -0.95 -0.30 116.57 122.44 1nr3 h LYS 65 Ca 0.08 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1nr3 h LYS 65 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1nr3 h LYS 65 CO -0.01 0.66 -0.71 0.00 -2.27 0.00 0.00 179.45 177.11 1nr3 h ARG 66 N 0.92 0.32 0.14 1.90 2.47 -0.57 -3.07 114.38 116.48 1nr3 h ARG 66 Ca 0.24 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1nr3 h ARG 66 Cb 0.01 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1nr3 h ARG 66 CO -0.04 0.91 -0.07 -0.07 0.56 0.00 0.00 179.97 181.26 1nr3 h LEU 67 N 0.22 -0.15 -0.73 3.04 3.38 0.19 -2.53 115.31 118.72 1nr3 h LEU 67 Ca -0.02 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 57.97 1nr3 h LEU 67 Cb 1.27 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 1nr3 h LEU 67 CO 0.12 0.05 0.07 0.17 0.09 0.00 0.00 178.44 178.93 1nr3 h LEU 68 N -0.35 -0.21 -2.75 1.67 8.10 -1.11 2.10 115.31 122.76 1nr3 h LEU 68 Ca -0.02 0.17 -0.00 0.00 0.11 0.00 0.00 57.88 58.15 1nr3 h LEU 68 Cb 0.28 0.29 -0.00 0.00 -0.44 0.00 0.00 40.66 40.79 1nr3 h LEU 68 CO 0.03 -0.13 -0.00 -0.33 -4.11 0.00 0.00 178.44 173.90 1nr3 h GLU 69 N 0.16 0.00 0.08 0.17 4.39 -1.40 2.24 114.58 120.22 1nr3 h GLU 69 Ca 0.41 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.74 1nr3 h GLU 69 Cb 0.71 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1nr3 h GLU 69 CO -0.60 0.00 -2.11 0.39 -1.16 0.00 0.00 179.01 175.54 1nr3 n GLU 70 N -3.38 0.71 -0.03 2.33 -0.58 0.60 -4.00 120.64 116.29 1nr3 n GLU 70 Ca -0.03 0.25 -0.02 0.00 -0.42 0.00 0.00 57.16 56.94 1nr3 n GLU 70 Cb 0.08 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.05 0.00 -1.65 1.62 0.02 0.26 -3.36 113.55 110.38 1nr3 h SER 71 Ca -0.47 0.00 0.52 0.00 -0.84 0.00 0.00 61.79 61.00 1nr3 h SER 71 Cb 1.94 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.37 1nr3 h SER 71 CO 0.00 0.34 1.14 -3.20 -1.14 0.00 0.00 176.83 173.97 1nr3 n ASN 72 N -3.36 0.10 -0.00 3.07 2.85 0.75 0.22 115.26 118.89 1nr3 n ASN 72 Ca -0.03 1.17 -0.09 0.00 -0.11 0.00 0.00 54.58 55.52 1nr3 n ASN 72 Cb 0.11 -0.58 -0.03 0.00 1.24 0.00 0.00 39.78 40.52 1nr3 n ASN 72 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1nr3 h LYS 73 N 0.00 -0.12 -0.62 1.20 3.11 -1.60 -1.60 116.57 116.94 1nr3 h LYS 73 Ca 0.90 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.75 1nr3 h LYS 73 Cb 3.26 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 34.52 1nr3 h LYS 73 CO -0.24 -0.08 0.00 -0.85 -2.81 0.00 0.00 179.45 175.47 1nr3 n GLU 74 N -5.25 2.55 -1.96 1.90 0.00 0.60 -4.94 120.64 113.54 1nr3 n GLU 74 Ca -0.03 -2.40 0.00 0.00 0.00 0.00 0.00 57.16 54.72 1nr3 n GLU 74 Cb 0.17 -1.53 0.00 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 1.57 4.21 3.94 -1.84 0.00 0.29 -5.06 105.19 108.30 1nr3 n GLY 75 Ca 0.22 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1nr3 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr3 s ILE 76 N -1.27 4.39 -0.72 -0.61 -1.09 -1.26 -4.71 121.20 115.92 1nr3 s ILE 76 Ca 0.00 -0.32 -0.25 0.00 -2.23 0.00 0.00 60.65 57.85 1nr3 s ILE 76 Cb 0.00 -3.64 -0.15 0.00 -1.58 0.00 0.00 42.46 37.10 1nr3 s ILE 76 CO 0.00 -0.49 2.46 1.57 -1.23 0.00 0.00 174.94 177.25 1nr3 n HIS 77 N -2.09 1.02 -4.08 3.97 -0.00 -1.26 -4.67 115.22 108.10 1nr3 n HIS 77 Ca 0.00 0.14 -0.14 0.00 0.46 0.00 0.00 57.72 58.18 1nr3 n HIS 77 Cb 0.57 -2.35 -0.13 0.00 -0.12 0.00 0.00 29.99 27.96 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 10.76 0.39 -0.44 3.57 1.01 -1.26 -4.63 120.40 129.80 1nr3 s VAL 78 Ca 1.10 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1nr3 s VAL 78 Cb -0.49 -0.39 0.41 0.00 0.00 0.00 0.00 36.38 35.91 1nr3 s VAL 78 CO 0.31 -0.10 1.01 2.30 0.00 0.00 0.00 175.10 178.62 1nr3 n ILE 79 N 2.39 2.02 -2.36 2.22 -5.35 -1.26 -4.82 119.36 112.20 1nr3 n ILE 79 Ca -0.17 -4.66 -0.26 0.00 -0.27 0.00 0.00 62.75 57.40 1nr3 n ILE 79 Cb 0.57 -0.82 0.05 0.00 -1.74 0.00 0.00 39.64 37.70 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 -3.35 3.07 0.31 4.28 3.76 -1.26 -4.35 115.29 117.76 1nr3 s HIS 80 Ca 0.43 0.48 0.08 0.00 -0.15 0.00 0.00 55.06 55.90 1nr3 s HIS 80 Cb 0.38 -2.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 1nr3 s HIS 80 CO -0.12 -1.05 0.23 -0.51 -0.85 0.00 0.00 174.74 172.44 1nr3 s ASP 81 N -4.40 5.19 0.47 1.40 1.01 -1.26 -4.87 116.67 114.21 1nr3 s ASP 81 Ca 0.57 -0.50 0.13 0.00 0.71 0.00 0.00 52.55 53.45 1nr3 s ASP 81 Cb -0.11 -1.01 1.10 0.00 1.01 0.00 0.00 42.92 43.91 1nr3 s ASP 81 CO 0.44 -0.26 2.09 -1.28 0.21 0.00 0.00 175.17 176.37 1nr3 h SER 82 N 1.39 0.22 -0.06 0.27 0.87 -1.94 0.81 113.55 115.11 1nr3 h SER 82 Ca -0.45 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 59.94 1nr3 h SER 82 Cb 1.25 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1nr3 h SER 82 CO 0.60 0.15 -0.51 0.40 -0.53 0.00 0.00 176.83 176.94 1nr3 h ILE 83 N 0.26 1.31 0.00 2.23 2.04 -1.95 -2.57 117.51 118.83 1nr3 h ILE 83 Ca 0.10 -1.73 -0.20 0.00 1.00 0.00 0.00 64.86 64.03 1nr3 h ILE 83 Cb 0.10 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1nr3 h ILE 83 CO -0.02 0.55 -0.94 0.74 0.00 0.00 0.00 178.15 178.48 1nr3 h THR 84 N 0.49 1.67 -0.75 -0.27 2.02 -1.43 -3.11 112.91 111.53 1nr3 h THR 84 Ca 0.02 -3.22 -0.02 0.00 0.77 0.00 0.00 66.41 63.95 1nr3 h THR 84 Cb 1.06 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 70.18 1nr3 h THR 84 CO 0.10 0.92 0.39 -0.07 0.37 0.00 0.00 175.52 177.23 1nr3 h LEU 85 N 0.00 0.95 -0.53 2.58 4.07 0.70 1.50 115.31 124.58 1nr3 h LEU 85 Ca -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 1nr3 h LEU 85 Cb 1.67 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 1nr3 h LEU 85 CO 0.12 0.79 0.20 0.00 -1.08 0.00 0.00 178.44 178.47 1nr3 h ALA 86 N 1.20 0.69 0.03 1.53 0.00 -1.48 0.70 119.26 121.93 1nr3 h ALA 86 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nr3 h ALA 86 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nr3 h ALA 86 CO -0.04 0.31 -0.01 0.35 0.00 0.00 0.00 179.25 179.86 1nr3 h PHE 87 N 0.72 -0.03 -0.14 0.00 3.04 -1.34 0.31 116.94 119.49 1nr3 h PHE 87 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1nr3 h PHE 87 Cb 0.22 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 1nr3 h PHE 87 CO 0.01 0.51 0.04 -0.07 -2.02 0.00 0.00 178.31 176.79 1nr3 h LEU 88 N -0.60 0.05 -0.04 0.59 4.07 0.21 -2.65 115.31 116.94 1nr3 h LEU 88 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1nr3 h LEU 88 Cb 0.56 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1nr3 h LEU 88 CO 0.01 0.05 0.02 0.40 -1.08 0.00 0.00 178.44 177.83 1nr3 h ILE 89 N 0.11 1.11 -1.37 1.22 2.04 0.37 -2.32 117.51 118.67 1nr3 h ILE 89 Ca 0.06 -0.33 0.46 0.00 1.00 0.00 0.00 64.86 66.06 1nr3 h ILE 89 Cb 0.04 1.26 -0.13 0.00 -0.74 0.00 0.00 36.82 37.25 1nr3 h ILE 89 CO -0.06 0.09 0.89 0.54 0.00 0.00 0.00 178.15 179.60 1nr3 n ARG 90 N -4.99 -0.03 -0.08 2.37 1.74 0.11 0.27 116.66 116.05 1nr3 n ARG 90 Ca -0.07 1.19 -0.13 0.00 -0.77 0.00 0.00 57.85 58.07 1nr3 n ARG 90 Cb 0.09 -2.37 -0.05 0.00 -1.02 0.00 0.00 32.46 29.11 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 0.55 -0.01 5.56 4.39 -1.15 1.24 114.58 125.16 1nr3 h GLU 91 Ca 0.85 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 60.26 1nr3 h GLU 91 Cb 2.79 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.45 1nr3 h GLU 91 CO -0.41 0.87 -0.02 0.36 -1.16 0.00 0.00 179.01 178.65 1nr3 n LYS 92 N -4.40 1.46 -2.68 2.33 2.85 0.77 -4.52 118.16 113.97 1nr3 n LYS 92 Ca -0.05 -0.73 -0.03 0.00 -1.05 0.00 0.00 58.31 56.45 1nr3 n LYS 92 Cb 0.42 -1.48 0.03 0.00 -0.65 0.00 0.00 35.03 33.34 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 -2.04 -4.43 -2.00 0.58 0.00 0.74 -4.95 121.76 109.67 1nr3 s ALA 93 Ca 0.39 0.62 0.21 0.00 0.00 0.00 0.00 51.96 53.18 1nr3 s ALA 93 Cb 0.21 -2.98 1.24 0.00 0.00 0.00 0.00 23.12 21.59 1nr3 s ALA 93 CO 0.36 -2.52 1.80 -1.13 0.00 0.00 0.00 175.76 174.26 1nr3 n SER 94 N 2.69 0.00 0.00 0.00 3.41 0.43 -3.60 113.62 116.54 1nr3 n SER 94 Ca 0.11 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1nr3 n SER 94 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1nr3 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nr3 n HIS 95 N -0.82 0.00 -3.35 7.33 8.25 -1.26 -4.85 115.22 120.52 1nr3 n HIS 95 Ca 0.16 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.17 1nr3 n HIS 95 Cb 0.07 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 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 3.00 0.43 -0.41 0.52 -1.26 -5.05 118.95 116.19 1nr3 s ARG 96 Ca 0.00 -1.33 0.06 0.00 -0.52 0.00 0.00 55.73 53.95 1nr3 s ARG 96 Cb 0.00 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.28 1nr3 s ARG 96 CO 0.00 -1.09 0.15 0.42 0.02 0.00 0.00 175.30 174.79 1nr3 s ILE 97 N 1.78 2.07 0.10 1.52 1.09 -1.26 -4.93 121.20 121.58 1nr3 s ILE 97 Ca 0.05 -1.77 -0.07 0.00 -1.10 0.00 0.00 60.65 57.76 1nr3 s ILE 97 Cb -0.24 -2.85 -0.06 0.00 -1.06 0.00 0.00 42.46 38.26 1nr3 s ILE 97 CO 0.07 0.00 0.37 0.54 -0.10 0.00 0.00 174.94 175.82 1nr3 s VAL 98 N -2.66 5.16 0.00 2.92 0.11 -1.26 -5.09 120.40 119.57 1nr3 s VAL 98 Ca 0.36 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1nr3 s VAL 98 Cb 0.04 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1nr3 s VAL 98 CO 0.20 0.18 0.00 1.57 -3.33 0.00 0.00 175.10 173.71 1nr3 n HIS 99 N 0.53 -1.68 -3.27 1.54 -0.00 -1.26 -4.62 115.22 106.45 1nr3 n HIS 99 Ca -0.06 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.08 1nr3 n HIS 99 Cb 0.52 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.34 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 -1.52 0.43 0.08 1.57 1.04 -1.26 -5.02 118.95 114.28 1nr3 s ARG 100 Ca 0.00 0.56 0.04 0.00 -1.04 0.00 0.00 55.73 55.29 1nr3 s ARG 100 Cb 0.00 -0.13 -0.04 0.00 -2.04 0.00 0.00 34.95 32.75 1nr3 s ARG 100 CO 0.00 -0.76 0.03 0.54 -0.04 0.00 0.00 175.30 175.08 1nr3 s VAL 101 N 2.65 4.26 -0.50 4.99 0.11 -1.26 -4.99 120.40 125.64 1nr3 s VAL 101 Ca 0.14 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.36 1nr3 s VAL 101 Cb -0.14 -3.03 0.15 0.00 -1.53 0.00 0.00 36.38 31.83 1nr3 s VAL 101 CO -0.21 0.14 0.32 0.54 -3.33 0.00 0.00 175.10 172.56 1nr3 s VAL 102 N -1.33 1.61 0.00 2.04 0.11 -1.26 -3.47 120.40 118.10 1nr3 s VAL 102 Ca 0.27 -3.03 0.00 0.00 -2.93 0.00 0.00 61.98 56.28 1nr3 s VAL 102 Cb -0.12 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.63 1nr3 s VAL 102 CO 0.19 -0.99 0.00 1.17 -3.33 0.00 0.00 175.10 172.15 1nr3 n LYS 103 N 3.00 0.00 -4.36 1.54 4.81 -1.26 -4.76 118.16 117.12 1nr3 n LYS 103 Ca 0.15 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.39 1nr3 n LYS 103 Cb 0.37 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.34 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 -0.98 1.82 0.00 3.14 0.15 -1.26 -5.03 113.70 111.54 1nr3 s SER 104 Ca 0.00 -1.64 -0.22 0.00 0.70 0.00 0.00 55.95 54.80 1nr3 s SER 104 Cb 0.00 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1nr3 s SER 104 CO 0.00 -0.95 0.64 -0.62 1.20 0.00 0.00 173.24 173.51 1nr3 s ASP 105 N -3.42 7.02 0.28 5.45 3.68 -1.26 -4.41 116.67 124.01 1nr3 s ASP 105 Ca 0.34 1.22 0.03 0.00 2.13 0.00 0.00 52.55 56.28 1nr3 s ASP 105 Cb 0.04 -2.39 -0.04 0.00 -1.45 0.00 0.00 42.92 39.08 1nr3 s ASP 105 CO 0.20 0.07 0.17 0.12 0.13 0.00 0.00 175.17 175.86 1nr3 s PHE 106 N -0.09 1.53 -0.12 -5.34 5.36 -0.25 -3.90 117.98 115.17 1nr3 s PHE 106 Ca 0.33 -1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 54.67 1nr3 s PHE 106 Cb -0.19 -0.77 0.05 0.00 -0.34 0.00 0.00 43.02 41.78 1nr3 s PHE 106 CO 0.18 -0.61 0.52 -1.21 -1.46 0.00 0.00 175.22 172.65 1nr3 s GLU 107 N -3.83 0.74 -0.00 10.12 2.02 0.24 0.35 118.70 128.34 1nr3 s GLU 107 Ca 0.37 0.40 -0.01 0.00 0.02 0.00 0.00 54.97 55.75 1nr3 s GLU 107 Cb 0.05 0.35 -0.00 0.00 0.10 0.00 0.00 34.13 34.63 1nr3 s GLU 107 CO 0.18 -0.16 0.03 0.42 0.02 0.00 0.00 175.26 175.74 1nr3 s ILE 108 N -0.46 0.04 0.22 -1.63 1.09 -0.12 -1.52 121.20 118.82 1nr3 s ILE 108 Ca -0.06 -0.35 -0.19 0.00 -1.10 0.00 0.00 60.65 58.94 1nr3 s ILE 108 Cb -0.03 -0.16 0.03 0.00 -1.06 0.00 0.00 42.46 41.24 1nr3 s ILE 108 CO 0.04 -0.19 0.61 -0.83 -0.10 0.00 0.00 174.94 174.46 1nr3 s GLY 109 N -0.58 -0.14 0.26 6.18 0.00 0.52 -1.13 107.32 112.43 1nr3 s GLY 109 Ca -0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 1nr3 s GLY 109 CO -0.00 -0.15 0.49 0.54 0.00 0.00 0.00 173.10 173.98 1nr3 s VAL 110 N -3.88 0.00 -0.03 1.40 0.11 0.02 0.50 120.40 118.52 1nr3 s VAL 110 Ca 0.09 -1.40 0.04 0.00 -2.93 0.00 0.00 61.98 57.79 1nr3 s VAL 110 Cb -0.03 -2.25 -0.06 0.00 -1.53 0.00 0.00 36.38 32.51 1nr3 s VAL 110 CO -0.00 0.00 0.04 0.35 -3.33 0.00 0.00 175.10 172.16 1nr3 n THR 111 N -0.40 0.23 0.00 5.04 -2.24 -1.19 -0.84 114.28 114.88 1nr3 n THR 111 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1nr3 n THR 111 Cb 0.62 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1nr3 n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nr3 n ARG 112 N -2.03 0.00 0.00 -0.78 1.74 -1.26 -1.96 116.66 112.37 1nr3 n ARG 112 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1nr3 n ARG 112 Cb 0.51 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 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 -1.99 0.00 0.00 0.55 2.03 -1.26 -4.66 116.55 111.22 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 0.37 3.77 0.27 0.00 -1.26 -4.26 105.19 104.08 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 -1.83 0.00 0.00 0.00 173.32 171.49 1nr3 s GLU 115 N -0.60 4.64 0.28 1.61 1.03 -1.26 -4.72 118.70 119.68 1nr3 s GLU 115 Ca 0.00 1.29 0.02 0.00 0.03 0.00 0.00 54.97 56.31 1nr3 s GLU 115 Cb 0.00 -3.10 -0.05 0.00 -0.80 0.00 0.00 34.13 30.18 1nr3 s GLU 115 CO 0.00 0.46 0.10 0.96 -1.33 0.00 0.00 175.26 175.45 1nr3 s ILE 116 N -1.33 0.60 0.00 1.83 -0.00 -1.26 -3.15 121.20 117.89 1nr3 s ILE 116 Ca 0.42 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 59.11 1nr3 s ILE 116 Cb -0.22 -2.63 -0.01 0.00 -0.00 0.00 0.00 42.46 39.60 1nr3 s ILE 116 CO 0.27 0.00 -0.11 0.27 -0.00 0.00 0.00 174.94 175.37 1nr3 s ILE 117 N -3.67 0.86 0.13 8.37 -5.25 0.18 -4.93 121.20 116.91 1nr3 s ILE 117 Ca 0.37 -0.57 0.05 0.00 -0.99 0.00 0.00 60.65 59.51 1nr3 s ILE 117 Cb 0.07 -0.74 -0.04 0.00 2.95 0.00 0.00 42.46 44.70 1nr3 s ILE 117 CO 0.14 0.17 -0.12 0.54 -1.79 0.00 0.00 174.94 173.88 1nr3 s VAL 118 N -0.40 1.27 0.13 8.37 0.11 -1.26 -0.36 120.40 128.27 1nr3 s VAL 118 Ca 0.03 -1.85 -0.24 0.00 -2.93 0.00 0.00 61.98 56.99 1nr3 s VAL 118 Cb -0.05 -1.64 0.07 0.00 -1.53 0.00 0.00 36.38 33.23 1nr3 s VAL 118 CO -0.00 -0.54 0.72 -0.62 -3.33 0.00 0.00 175.10 171.33 1nr3 s ASP 119 N -2.73 -0.44 0.00 3.54 2.15 -0.58 -4.93 116.67 113.68 1nr3 s ASP 119 Ca 0.12 -0.11 0.17 0.00 0.43 0.00 0.00 52.55 53.16 1nr3 s ASP 119 Cb -0.02 0.55 0.44 0.00 -0.30 0.00 0.00 42.92 43.59 1nr3 s ASP 119 CO 0.02 -0.92 1.36 0.00 -0.17 0.00 0.00 175.17 175.46 1nr3 n LEU 120 N -0.36 3.35 -4.37 -1.34 -0.00 -1.26 0.80 117.00 113.82 1nr3 n LEU 120 Ca -0.12 -1.87 -0.37 0.00 -0.00 0.00 0.00 56.01 53.65 1nr3 n LEU 120 Cb 0.63 -0.32 -0.08 0.00 -0.00 0.00 0.00 43.42 43.64 1nr3 n LEU 120 CO 0.12 0.81 -0.27 -3.20 -0.00 0.00 0.00 177.39 174.85 1nr3 n ASN 121 N 1.11 -0.75 0.00 1.45 2.85 -1.25 -4.04 115.26 114.62 1nr3 n ASN 121 Ca 0.17 -1.22 0.11 0.00 -0.11 0.00 0.00 54.58 53.53 1nr3 n ASN 121 Cb 0.52 -1.54 0.63 0.00 1.24 0.00 0.00 39.78 40.63 1nr3 n ASN 121 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61