#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr1 n PRO 11 N 0.00 -3.22 -4.17 0.11 -0.02 -1.26 -5.05 135.00 121.39 1nr1 n PRO 11 Ca 0.00 -0.94 -0.25 0.00 -2.02 0.00 0.00 63.50 60.29 1nr1 n PRO 11 Cb 0.00 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1nr1 n PRO 11 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nr1 s ASN 12 N -2.47 5.07 0.17 2.55 4.22 -1.26 -4.98 114.94 118.24 1nr1 s ASN 12 Ca 0.61 -0.34 -0.25 0.00 -2.14 0.00 0.00 52.86 50.74 1nr1 s ASN 12 Cb -0.16 -1.17 0.03 0.00 1.28 0.00 0.00 41.25 41.24 1nr1 s ASN 12 CO 0.58 0.04 1.44 2.22 -2.04 0.00 0.00 177.10 179.34 1nr1 n PHE 13 N -0.52 -0.27 -0.31 1.54 1.16 -1.26 -1.04 117.46 116.76 1nr1 n PHE 13 Ca -0.08 1.16 0.28 0.00 -1.87 0.00 0.00 57.45 56.94 1nr1 n PHE 13 Cb 0.56 -0.67 0.53 0.00 -1.61 0.00 0.00 39.48 38.29 1nr1 n PHE 13 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1nr1 n PHE 14 N -5.24 1.05 0.90 2.97 7.35 -1.26 0.16 117.46 123.39 1nr1 n PHE 14 Ca 0.04 1.15 0.11 0.00 -0.76 0.00 0.00 57.45 57.99 1nr1 n PHE 14 Cb 0.29 -1.50 -0.05 0.00 0.35 0.00 0.00 39.48 38.58 1nr1 n PHE 14 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1nr1 n LYS 15 N -5.24 0.07 -0.08 -4.13 4.76 -0.21 -3.06 118.16 110.27 1nr1 n LYS 15 Ca 0.35 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1nr1 n LYS 15 Cb 1.17 -1.51 -0.08 0.00 -1.84 0.00 0.00 35.03 32.77 1nr1 n LYS 15 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1nr1 h MET 16 N 0.00 0.00 -0.36 1.97 2.86 0.28 -2.72 114.93 116.96 1nr1 h MET 16 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1nr1 h MET 16 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1nr1 h MET 16 CO 0.00 0.62 0.04 0.28 1.06 0.00 0.00 176.91 178.92 1nr1 h VAL 17 N -1.00 1.19 -0.30 -2.22 2.07 0.14 0.13 116.25 116.25 1nr1 h VAL 17 Ca -0.15 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1nr1 h VAL 17 Cb 0.89 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1nr1 h VAL 17 CO -0.09 0.25 0.05 -0.08 0.02 0.00 0.00 177.57 177.72 1nr1 h GLU 18 N 0.52 0.50 -0.21 1.57 4.81 -1.66 -1.14 114.58 118.97 1nr1 h GLU 18 Ca 0.12 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1nr1 h GLU 18 Cb 0.27 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1nr1 h GLU 18 CO 0.00 0.60 0.02 0.78 -0.73 0.00 0.00 179.01 179.68 1nr1 h GLY 19 N 0.32 0.22 -0.07 1.92 0.00 -0.91 0.14 103.07 104.69 1nr1 h GLY 19 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1nr1 h GLY 19 CO 0.01 -0.02 -0.42 0.74 0.00 0.00 0.00 176.54 176.84 1nr1 h PHE 20 N 0.10 -1.25 -0.46 5.60 0.05 -0.56 0.37 116.94 120.79 1nr1 h PHE 20 Ca 0.10 0.05 0.05 0.00 3.82 0.00 0.00 57.97 61.98 1nr1 h PHE 20 Cb 0.11 0.56 -0.08 0.00 2.00 0.00 0.00 35.95 38.54 1nr1 h PHE 20 CO -0.16 -0.43 -0.50 0.35 -0.18 0.00 0.00 178.31 177.38 1nr1 h PHE 21 N -0.47 -1.54 -0.18 -0.55 3.57 -0.73 -0.56 116.94 116.47 1nr1 h PHE 21 Ca 0.02 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1nr1 h PHE 21 Cb 0.54 0.73 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 1nr1 h PHE 21 CO -0.53 -0.41 -0.51 -0.44 -2.23 0.00 0.00 178.31 174.18 1nr1 h ASP 22 N -0.28 -1.64 -0.98 0.41 3.32 0.04 0.28 116.42 117.56 1nr1 h ASP 22 Ca 0.08 0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.44 1nr1 h ASP 22 Cb 0.49 0.65 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 1nr1 h ASP 22 CO -0.58 -0.46 -0.52 -1.14 -1.72 0.00 0.00 179.24 174.81 1nr1 n ARG 23 N -5.43 -0.38 0.20 3.56 0.63 0.12 -0.50 116.66 114.87 1nr1 n ARG 23 Ca -0.05 1.48 0.14 0.00 -0.92 0.00 0.00 57.85 58.50 1nr1 n ARG 23 Cb 0.37 -2.19 0.44 0.00 0.45 0.00 0.00 32.46 31.53 1nr1 n ARG 23 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nr1 h GLY 24 N 0.00 0.00 0.44 5.14 0.00 -0.58 -3.10 103.07 104.97 1nr1 h GLY 24 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1nr1 h GLY 24 CO -0.93 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 175.56 1nr1 h ALA 25 N 2.14 -0.13 -1.00 3.60 0.00 0.22 -2.46 119.26 121.63 1nr1 h ALA 25 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1nr1 h ALA 25 Cb 0.69 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1nr1 h ALA 25 CO 0.00 -0.29 0.65 0.66 0.00 0.00 0.00 179.25 180.26 1nr1 h SER 26 N -0.69 1.04 0.10 0.00 4.64 -1.34 0.12 113.55 117.42 1nr1 h SER 26 Ca -0.01 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1nr1 h SER 26 Cb 0.54 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1nr1 h SER 26 CO 0.02 0.67 -0.13 0.40 -0.87 0.00 0.00 176.83 176.92 1nr1 h ILE 27 N 1.18 0.70 -0.45 0.95 2.04 -1.57 -2.61 117.51 117.75 1nr1 h ILE 27 Ca 0.42 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.28 1nr1 h ILE 27 Cb 0.14 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1nr1 h ILE 27 CO -0.16 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.82 1nr1 h VAL 28 N -0.27 1.14 -0.02 1.67 2.07 -0.80 -3.27 116.25 116.77 1nr1 h VAL 28 Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1nr1 h VAL 28 Cb 0.27 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1nr1 h VAL 28 CO -0.06 0.15 -0.09 -0.08 0.02 0.00 0.00 177.57 177.52 1nr1 h GLU 29 N 0.63 -0.10 -0.79 1.57 4.81 -0.40 0.41 114.58 120.70 1nr1 h GLU 29 Ca 0.16 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.58 1nr1 h GLU 29 Cb 0.02 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.30 1nr1 h GLU 29 CO -0.03 -0.07 0.22 -0.44 -0.73 0.00 0.00 179.01 177.97 1nr1 h ASP 30 N -0.10 0.05 0.71 1.04 3.32 -1.62 0.92 116.42 120.74 1nr1 h ASP 30 Ca 0.00 0.16 -0.26 0.00 0.02 0.00 0.00 57.03 56.95 1nr1 h ASP 30 Cb 0.12 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1nr1 h ASP 30 CO -0.07 -0.06 -1.33 0.50 -1.72 0.00 0.00 179.24 176.56 1nr1 h LYS 31 N 0.28 0.07 -0.49 3.56 3.11 -1.64 -3.14 116.57 118.33 1nr1 h LYS 31 Ca 0.46 -0.13 -0.11 0.00 -2.81 0.00 0.00 60.65 58.07 1nr1 h LYS 31 Cb 0.84 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.10 1nr1 h LYS 31 CO -0.55 0.90 -0.12 1.25 -2.81 0.00 0.00 179.45 178.12 1nr1 h LEU 32 N 0.02 0.90 0.00 5.20 5.85 0.42 -3.30 115.31 124.40 1nr1 h LEU 32 Ca -0.15 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1nr1 h LEU 32 Cb 1.91 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1nr1 h LEU 32 CO 0.13 1.03 0.00 0.52 -0.34 0.00 0.00 178.44 179.78 1nr1 n VAL 33 N -4.15 0.00 0.00 1.05 0.31 0.26 -3.87 118.33 111.94 1nr1 n VAL 33 Ca 0.01 1.01 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 1nr1 n VAL 33 Cb 0.39 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1nr1 n VAL 33 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1nr1 n GLU 34 N -0.86 0.69 0.00 5.55 0.28 -1.19 -1.16 120.64 123.95 1nr1 n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nr1 n GLU 34 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1nr1 n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1nr1 n ASP 35 N 0.00 0.00 0.00 -1.84 3.85 -1.26 -0.42 116.55 116.88 1nr1 n ASP 35 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1nr1 n ASP 35 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1nr1 n ASP 35 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1nr1 n LEU 36 N 0.44 1.31 -0.16 -2.12 0.00 -1.26 -4.91 117.00 110.30 1nr1 n LEU 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1nr1 n LEU 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1nr1 n LEU 36 CO 0.00 0.22 0.10 -2.11 0.00 0.00 0.00 177.39 175.59 1nr1 n ARG 37 N -1.99 0.00 -0.22 1.96 -4.01 -0.39 -4.89 116.66 107.12 1nr1 n ARG 37 Ca 0.00 -0.07 0.10 0.00 -1.04 0.00 0.00 57.85 56.84 1nr1 n ARG 37 Cb 0.38 -0.05 0.26 0.00 -3.04 0.00 0.00 32.46 30.01 1nr1 n ARG 37 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1nr1 n THR 38 N 0.00 0.58 0.28 8.89 -1.04 0.44 -4.00 114.28 119.43 1nr1 n THR 38 Ca 0.00 -0.65 0.13 0.00 -2.04 0.00 0.00 64.05 61.49 1nr1 n THR 38 Cb 0.51 0.48 0.62 0.00 -1.82 0.00 0.00 70.33 70.11 1nr1 n THR 38 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nr1 h ARG 39 N 3.21 0.00 -1.54 -2.82 3.08 -1.85 -1.88 114.38 112.58 1nr1 h ARG 39 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1nr1 h ARG 39 Cb 0.72 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.37 1nr1 h ARG 39 CO 0.00 0.00 -1.03 -0.85 -1.07 0.00 0.00 179.97 177.02 1nr1 n GLU 40 N -2.40 1.86 -0.45 0.04 0.28 -1.26 -5.04 120.64 113.68 1nr1 n GLU 40 Ca -0.00 -3.77 -0.15 0.00 -0.16 0.00 0.00 57.16 53.09 1nr1 n GLU 40 Cb 0.14 -1.71 -0.01 0.00 1.43 0.00 0.00 31.44 31.29 1nr1 n GLU 40 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1nr1 n SER 41 N -0.09 2.73 -4.67 -1.84 3.41 -0.71 -4.92 113.62 107.52 1nr1 n SER 41 Ca 0.22 -2.21 -0.45 0.00 -0.26 0.00 0.00 58.87 56.17 1nr1 n SER 41 Cb 0.69 -0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1nr1 n SER 41 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nr1 n GLU 42 N 4.76 2.59 -0.69 4.33 1.02 -1.26 -1.49 120.64 129.91 1nr1 n GLU 42 Ca 0.27 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.36 1nr1 n GLU 42 Cb 0.10 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.67 1nr1 n GLU 42 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1nr1 n GLU 43 N 6.86 -0.09 -0.90 3.49 0.00 -1.26 -3.00 120.64 125.74 1nr1 n GLU 43 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1nr1 n GLU 43 Cb 0.36 -3.87 0.00 0.00 0.00 0.00 0.00 31.44 27.93 1nr1 n GLU 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1nr1 n GLN 44 N -1.89 -1.45 -1.17 5.31 0.00 -0.55 -4.75 117.38 112.87 1nr1 n GLN 44 Ca 0.00 0.36 -0.20 0.00 -0.00 0.00 0.00 57.00 57.17 1nr1 n GLN 44 Cb 0.02 -4.73 -0.05 0.00 0.00 0.00 0.00 30.24 25.48 1nr1 n GLN 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1nr1 n LYS 45 N 0.12 2.07 0.04 3.69 5.02 -1.16 -3.41 118.16 124.52 1nr1 n LYS 45 Ca 0.00 -1.73 -0.22 0.00 -2.02 0.00 0.00 58.31 54.34 1nr1 n LYS 45 Cb 0.36 -1.89 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 1nr1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr1 h ARG 46 N 2.44 0.30 -0.33 1.97 2.47 -1.85 -3.23 114.38 116.14 1nr1 h ARG 46 Ca 0.30 -0.50 0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1nr1 h ARG 46 Cb 0.93 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1nr1 h ARG 46 CO 0.67 1.24 0.24 -0.97 0.56 0.00 0.00 179.97 181.71 1nr1 h ASN 47 N -0.24 0.02 0.20 7.04 -1.24 -1.97 -1.67 115.58 117.73 1nr1 h ASN 47 Ca -0.27 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.45 1nr1 h ASN 47 Cb 1.80 -0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.87 1nr1 h ASN 47 CO 0.11 0.01 -1.20 -0.09 -1.29 0.00 0.00 177.43 174.97 1nr1 h ARG 48 N 0.03 0.57 -0.30 6.67 2.43 -1.81 -3.10 114.38 118.86 1nr1 h ARG 48 Ca 0.16 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1nr1 h ARG 48 Cb 0.60 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1nr1 h ARG 48 CO -0.01 1.33 0.00 1.55 -1.51 0.00 0.00 179.97 181.33 1nr1 n VAL 49 N -3.76 0.00 0.70 0.20 3.14 -0.63 -1.49 118.33 116.49 1nr1 n VAL 49 Ca -0.12 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.33 1nr1 n VAL 49 Cb 0.97 -0.24 0.20 0.00 -1.06 0.00 0.00 33.84 33.71 1nr1 n VAL 49 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nr1 n ARG 50 N 0.01 1.96 -0.24 1.45 1.85 -1.17 -3.70 116.66 116.82 1nr1 n ARG 50 Ca 0.00 -1.49 -0.06 0.00 -1.00 0.00 0.00 57.85 55.30 1nr1 n ARG 50 Cb 0.08 -1.34 0.05 0.00 -1.05 0.00 0.00 32.46 30.20 1nr1 n ARG 50 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nr1 h GLY 51 N 5.07 0.97 -0.32 2.89 0.00 -1.51 -2.84 103.07 107.32 1nr1 h GLY 51 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1nr1 h GLY 51 CO 0.00 0.40 -0.15 1.39 0.00 0.00 0.00 176.54 178.18 1nr1 n ILE 52 N -4.56 -0.19 -0.25 2.60 2.08 -1.24 0.35 119.36 118.15 1nr1 n ILE 52 Ca 0.05 0.76 0.09 0.00 0.56 0.00 0.00 62.75 64.21 1nr1 n ILE 52 Cb 0.07 -0.98 0.34 0.00 -0.75 0.00 0.00 39.64 38.32 1nr1 n ILE 52 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1nr1 h LEU 53 N 0.00 0.71 -0.11 1.39 4.07 -1.81 0.53 115.31 120.08 1nr1 h LEU 53 Ca 0.09 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 1nr1 h LEU 53 Cb 0.17 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 1nr1 h LEU 53 CO -0.31 0.41 -0.13 0.08 -1.08 0.00 0.00 178.44 177.40 1nr1 h ARG 54 N 0.78 0.29 -0.68 1.13 0.11 0.58 -2.46 114.38 114.12 1nr1 h ARG 54 Ca 0.40 -0.16 0.14 0.00 0.10 0.00 0.00 59.98 60.46 1nr1 h ARG 54 Cb 0.49 0.01 -0.13 0.00 1.11 0.00 0.00 29.97 31.45 1nr1 h ARG 54 CO -0.17 0.71 -0.14 0.82 0.10 0.00 0.00 179.97 181.30 1nr1 h ILE 55 N -0.12 0.34 -0.31 0.08 5.03 -0.77 -2.28 117.51 119.48 1nr1 h ILE 55 Ca 0.02 -0.01 0.03 0.00 -0.12 0.00 0.00 64.86 64.77 1nr1 h ILE 55 Cb 0.67 0.32 -0.03 0.00 -3.03 0.00 0.00 36.82 34.75 1nr1 h ILE 55 CO 0.03 0.00 0.14 0.40 -0.68 0.00 0.00 178.15 178.05 1nr1 h ILE 56 N 0.02 0.97 0.00 -0.67 2.04 -0.86 -3.32 117.51 115.69 1nr1 h ILE 56 Ca 0.34 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 66.10 1nr1 h ILE 56 Cb 0.53 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1nr1 h ILE 56 CO -0.68 0.05 -0.30 0.50 0.00 0.00 0.00 178.15 177.72 1nr1 h LYS 57 N 0.30 -0.37 -6.40 2.37 3.64 -0.91 -3.43 116.57 111.76 1nr1 h LYS 57 Ca 0.13 0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 59.01 1nr1 h LYS 57 Cb 0.06 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1nr1 h LYS 57 CO -0.11 -0.25 1.19 -1.25 -2.27 0.00 0.00 179.45 176.77 1nr1 s PRO 58 N -4.54 4.14 -0.13 1.90 0.04 -1.24 -4.93 135.00 130.24 1nr1 s PRO 58 Ca -0.09 2.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 1nr1 s PRO 58 Cb 0.04 -3.98 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 1nr1 s PRO 58 CO 0.34 -0.92 2.11 0.00 0.04 0.00 0.00 177.00 178.57 1nr1 h ASN 60 N 12.82 -0.82 -4.14 0.00 4.21 -1.13 -3.45 115.58 123.08 1nr1 h ASN 60 Ca -0.44 0.11 -0.55 0.00 1.21 0.00 0.00 56.30 56.63 1nr1 h ASN 60 Cb 1.25 0.34 -0.21 0.00 -1.12 0.00 0.00 38.32 38.58 1nr1 h ASN 60 CO 0.96 -0.14 -0.82 -1.00 -1.29 0.00 0.00 177.43 175.13 1nr1 s HIS 61 N -4.07 1.79 -0.22 1.19 3.76 -0.59 -5.03 115.29 112.11 1nr1 s HIS 61 Ca -0.06 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 54.39 1nr1 s HIS 61 Cb 0.04 -0.97 0.11 0.00 1.11 0.00 0.00 32.58 32.87 1nr1 s HIS 61 CO 0.25 0.21 0.39 0.54 -0.85 0.00 0.00 174.74 175.29 1nr1 s VAL 62 N -1.22 -0.62 -0.06 -0.90 0.11 -1.26 -0.57 120.40 115.88 1nr1 s VAL 62 Ca 0.07 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1nr1 s VAL 62 Cb -0.10 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1nr1 s VAL 62 CO 0.04 -0.03 0.33 -0.22 -3.33 0.00 0.00 175.10 171.89 1nr1 s LEU 63 N 2.57 4.41 -0.12 2.54 2.96 0.11 -4.96 118.68 126.20 1nr1 s LEU 63 Ca 0.07 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1nr1 s LEU 63 Cb -0.14 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1nr1 s LEU 63 CO -0.14 0.30 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.54 1nr1 s SER 64 N -0.77 2.92 0.53 3.68 0.01 -1.26 -1.53 113.70 117.28 1nr1 s SER 64 Ca 0.21 -0.54 0.07 0.00 1.31 0.00 0.00 55.95 56.99 1nr1 s SER 64 Cb -0.15 -1.34 0.04 0.00 0.21 0.00 0.00 66.02 64.78 1nr1 s SER 64 CO 0.10 0.09 0.51 -0.76 0.41 0.00 0.00 173.24 173.59 1nr1 s LEU 65 N 0.70 2.95 -0.45 2.44 1.43 0.11 -4.96 118.68 120.90 1nr1 s LEU 65 Ca -0.11 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1nr1 s LEU 65 Cb -0.16 -1.49 0.21 0.00 0.03 0.00 0.00 46.19 44.78 1nr1 s LEU 65 CO 0.02 -1.09 0.91 -1.20 0.23 0.00 0.00 176.35 175.21 1nr1 n SER 66 N -1.87 -2.61 -4.84 2.29 7.64 -1.25 -3.52 113.62 109.45 1nr1 n SER 66 Ca 0.04 -2.30 -0.23 0.00 1.01 0.00 0.00 58.87 57.39 1nr1 n SER 66 Cb 0.63 1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 65.17 1nr1 n SER 66 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1nr1 s PHE 67 N 0.81 2.43 0.39 1.43 -0.00 -0.46 -4.88 117.98 117.70 1nr1 s PHE 67 Ca 0.28 -0.60 0.08 0.00 -0.00 0.00 0.00 56.93 56.69 1nr1 s PHE 67 Cb 0.09 -2.05 -0.05 0.00 -0.00 0.00 0.00 43.02 41.00 1nr1 s PHE 67 CO -0.10 -0.12 0.14 -1.25 -0.00 0.00 0.00 175.22 173.89 1nr1 s PRO 68 N -4.10 2.22 0.08 1.99 0.04 -1.26 0.98 135.00 134.94 1nr1 s PRO 68 Ca 0.43 -1.78 -0.13 0.00 0.04 0.00 0.00 61.00 59.56 1nr1 s PRO 68 Cb -0.01 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1nr1 s PRO 68 CO 0.25 -0.02 0.31 0.96 0.04 0.00 0.00 177.00 178.53 1nr1 s ILE 69 N -2.55 0.09 -0.41 0.56 -4.36 -0.64 -4.89 121.20 108.99 1nr1 s ILE 69 Ca 0.39 -0.75 -0.13 0.00 -0.26 0.00 0.00 60.65 59.90 1nr1 s ILE 69 Cb 0.02 -1.09 0.04 0.00 1.25 0.00 0.00 42.46 42.68 1nr1 s ILE 69 CO 0.22 -0.41 0.28 -0.60 0.24 0.00 0.00 174.94 174.67 1nr1 s ARG 70 N -3.18 2.86 0.78 0.37 3.52 -1.26 -2.65 118.95 119.38 1nr1 s ARG 70 Ca -0.01 -1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 54.27 1nr1 s ARG 70 Cb 0.01 -3.89 0.07 0.00 -1.56 0.00 0.00 34.95 29.58 1nr1 s ARG 70 CO -0.07 -0.83 1.21 1.03 -0.81 0.00 0.00 175.30 175.83 1nr1 s ARG 71 N 1.58 1.80 0.52 5.12 0.52 -0.44 -4.86 118.95 123.20 1nr1 s ARG 71 Ca 0.03 1.78 0.32 0.00 -0.52 0.00 0.00 55.73 57.34 1nr1 s ARG 71 Cb -0.21 -1.79 1.46 0.00 0.52 0.00 0.00 34.95 34.93 1nr1 s ARG 71 CO 0.07 -2.10 1.84 -0.44 0.02 0.00 0.00 175.30 174.69 1nr1 h ASP 72 N -0.69 0.06 -0.08 0.23 5.19 -1.97 -0.83 116.42 118.35 1nr1 h ASP 72 Ca -0.47 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1nr1 h ASP 72 Cb 1.30 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1nr1 h ASP 72 CO 0.47 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.71 1nr1 n ASP 73 N -4.28 1.06 0.00 6.45 5.68 -1.26 -4.90 116.55 119.30 1nr1 n ASP 73 Ca 0.22 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1nr1 n ASP 73 Cb 1.05 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1nr1 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nr1 n GLY 74 N 0.33 2.78 3.80 6.12 0.00 -0.31 -5.02 105.19 112.87 1nr1 n GLY 74 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1nr1 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nr1 s SER 75 N -0.05 5.18 0.13 1.61 1.04 -1.26 -4.73 113.70 115.62 1nr1 s SER 75 Ca 0.00 1.74 -0.01 0.00 0.48 0.00 0.00 55.95 58.16 1nr1 s SER 75 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1nr1 s SER 75 CO 0.00 -1.58 0.30 0.26 0.98 0.00 0.00 173.24 173.21 1nr1 s TRP 76 N -2.85 3.49 -0.12 5.02 0.51 -1.26 -1.32 118.94 122.40 1nr1 s TRP 76 Ca 0.60 0.32 -0.16 0.00 -2.12 0.00 0.00 56.10 54.74 1nr1 s TRP 76 Cb -0.16 -1.82 0.04 0.00 -0.81 0.00 0.00 33.47 30.72 1nr1 s TRP 76 CO 0.51 0.49 0.43 -2.00 -0.51 0.00 0.00 176.95 175.87 1nr1 s GLU 77 N -2.86 0.59 -0.25 4.98 2.12 -1.08 -4.93 118.70 117.26 1nr1 s GLU 77 Ca 0.37 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.10 1nr1 s GLU 77 Cb -0.12 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.58 1nr1 s GLU 77 CO 0.28 -0.11 -0.07 0.14 -0.54 0.00 0.00 175.26 174.96 1nr1 s VAL 78 N -0.20 2.83 0.43 3.70 -7.23 -1.26 -1.62 120.40 117.05 1nr1 s VAL 78 Ca -0.04 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 58.88 1nr1 s VAL 78 Cb -0.03 -2.44 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 1nr1 s VAL 78 CO 0.02 0.20 0.96 -0.63 -0.31 0.00 0.00 175.10 175.34 1nr1 s ILE 79 N 1.32 4.33 0.21 -0.62 1.09 0.27 -4.85 121.20 122.96 1nr1 s ILE 79 Ca 0.00 1.49 0.11 0.00 -1.10 0.00 0.00 60.65 61.14 1nr1 s ILE 79 Cb -0.17 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1nr1 s ILE 79 CO -0.05 -0.28 -0.17 -1.83 -0.10 0.00 0.00 174.94 172.52 1nr1 s GLU 80 N -3.10 1.79 0.05 2.79 -1.05 -1.26 -1.35 118.70 116.57 1nr1 s GLU 80 Ca 0.62 -1.49 -0.27 0.00 -0.15 0.00 0.00 54.97 53.68 1nr1 s GLU 80 Cb -0.10 -1.96 0.09 0.00 -0.44 0.00 0.00 34.13 31.72 1nr1 s GLU 80 CO 0.14 0.39 0.81 0.20 0.95 0.00 0.00 175.26 177.76 1nr1 s GLY 81 N -2.99 -0.48 -0.08 -3.83 0.00 -1.23 -2.92 107.32 95.79 1nr1 s GLY 81 Ca 0.25 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 1nr1 s GLY 81 CO 0.13 0.26 0.18 -0.19 0.00 0.00 0.00 173.10 173.49 1nr1 s TYR 82 N -3.31 -0.22 -0.12 1.90 1.51 -0.04 0.05 117.35 117.12 1nr1 s TYR 82 Ca 0.04 0.56 0.01 0.00 -1.01 0.00 0.00 57.07 56.68 1nr1 s TYR 82 Cb -0.01 -0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.85 1nr1 s TYR 82 CO -0.09 -0.17 -0.15 0.50 -1.11 0.00 0.00 175.55 174.54 1nr1 s ARG 83 N 0.91 2.22 -0.11 -0.62 6.06 -0.58 -1.03 118.95 125.80 1nr1 s ARG 83 Ca -0.07 -0.55 0.03 0.00 -2.50 0.00 0.00 55.73 52.65 1nr1 s ARG 83 Cb -0.09 -1.96 -0.00 0.00 0.06 0.00 0.00 34.95 32.97 1nr1 s ARG 83 CO -0.05 -0.14 -0.21 0.00 -2.50 0.00 0.00 175.30 172.40 1nr1 s ALA 84 N 1.20 2.29 -0.37 6.12 0.00 0.89 -0.71 121.76 131.19 1nr1 s ALA 84 Ca -0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1nr1 s ALA 84 Cb -0.14 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.11 1nr1 s ALA 84 CO -0.05 0.28 0.17 -0.65 0.00 0.00 0.00 175.76 175.51 1nr1 s GLN 85 N 0.33 2.69 0.06 0.00 -0.21 0.27 -1.17 119.66 121.62 1nr1 s GLN 85 Ca -0.16 -1.19 -0.19 0.00 0.02 0.00 0.00 55.36 53.83 1nr1 s GLN 85 Cb -0.17 -3.63 -0.12 0.00 1.00 0.00 0.00 33.01 30.09 1nr1 s GLN 85 CO 0.08 -0.73 1.39 1.25 -2.12 0.00 0.00 175.29 175.15 1nr1 h HIS 86 N 8.34 0.50 -2.77 0.91 -0.00 0.02 -1.53 115.15 120.63 1nr1 h HIS 86 Ca -0.24 -0.14 -0.12 0.00 -0.00 0.00 0.00 60.37 59.87 1nr1 h HIS 86 Cb 1.09 -0.11 -0.24 0.00 -0.00 0.00 0.00 27.41 28.15 1nr1 h HIS 86 CO 0.59 0.77 -0.25 0.45 -0.00 0.00 0.00 177.93 179.48 1nr1 s SER 87 N -6.16 -0.42 -0.27 3.26 0.15 -1.21 -1.68 113.70 107.37 1nr1 s SER 87 Ca -0.14 0.80 0.09 0.00 0.70 0.00 0.00 55.95 57.40 1nr1 s SER 87 Cb 0.06 0.81 0.45 0.00 -1.71 0.00 0.00 66.02 65.63 1nr1 s SER 87 CO 0.76 -0.14 1.28 0.00 1.20 0.00 0.00 173.24 176.34 1nr1 n GLN 88 N 2.85 2.36 0.19 5.44 3.00 -1.26 -3.71 117.38 126.26 1nr1 n GLN 88 Ca -0.13 -3.59 0.04 0.00 -0.01 0.00 0.00 57.00 53.32 1nr1 n GLN 88 Cb 0.57 -1.90 0.39 0.00 0.00 0.00 0.00 30.24 29.31 1nr1 n GLN 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 1nr1 h HIS 89 N 1.44 0.00 -3.31 1.08 2.07 -1.95 -3.36 115.15 111.12 1nr1 h HIS 89 Ca 0.19 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.06 1nr1 h HIS 89 Cb 1.29 0.00 -0.24 0.00 2.57 0.00 0.00 27.41 31.03 1nr1 h HIS 89 CO 0.86 0.35 -0.71 0.50 -3.07 0.00 0.00 177.93 175.87 1nr1 s ARG 90 N -4.01 3.54 0.00 5.12 6.06 -1.26 -5.02 118.95 123.38 1nr1 s ARG 90 Ca -0.02 -0.60 0.00 0.00 -2.50 0.00 0.00 55.73 52.61 1nr1 s ARG 90 Cb 0.13 -2.78 0.00 0.00 0.06 0.00 0.00 34.95 32.36 1nr1 s ARG 90 CO 0.70 0.23 1.00 2.41 -2.50 0.00 0.00 175.30 177.13 1nr1 n THR 91 N 3.52 0.00 -2.62 4.11 -1.04 -1.26 -3.12 114.28 113.87 1nr1 n THR 91 Ca -0.18 1.50 -0.42 0.00 -2.04 0.00 0.00 64.05 62.90 1nr1 n THR 91 Cb 0.53 -2.20 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 1nr1 n THR 91 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1nr1 s PRO 92 N -2.98 4.41 0.33 -2.82 0.02 -1.23 -4.60 135.00 128.14 1nr1 s PRO 92 Ca 0.00 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.29 1nr1 s PRO 92 Cb 0.00 -3.53 -0.10 0.00 0.02 0.00 0.00 34.50 30.89 1nr1 s PRO 92 CO 0.00 -0.33 0.86 0.00 -0.33 0.00 0.00 177.00 177.20 1nr1 s LYS 94 N -2.56 1.22 0.00 0.00 2.47 0.95 -0.57 119.74 121.25 1nr1 s LYS 94 Ca 0.53 -1.18 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 1nr1 s LYS 94 Cb -0.14 -1.51 0.00 0.00 -1.46 0.00 0.00 37.83 34.72 1nr1 s LYS 94 CO 0.19 0.36 0.00 0.41 0.16 0.00 0.00 175.35 176.46 1nr1 n GLY 95 N 1.14 1.80 3.99 5.54 0.00 -1.20 0.26 105.19 116.71 1nr1 n GLY 95 Ca -0.19 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1nr1 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nr1 s GLY 96 N 0.00 1.81 -0.23 -0.02 0.00 -1.26 -0.61 107.32 107.01 1nr1 s GLY 96 Ca 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.16 1nr1 s GLY 96 CO 0.00 -1.19 -0.12 -0.42 0.00 0.00 0.00 173.10 171.37 1nr1 s ILE 97 N -2.83 2.36 -0.20 0.90 -1.09 0.12 -1.06 121.20 119.40 1nr1 s ILE 97 Ca 0.60 -1.23 -0.08 0.00 -2.23 0.00 0.00 60.65 57.71 1nr1 s ILE 97 Cb -0.08 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 1nr1 s ILE 97 CO 0.40 0.22 0.09 -0.60 -1.23 0.00 0.00 174.94 173.81 1nr1 s ARG 98 N 1.23 3.96 -0.75 2.79 3.52 -1.19 -3.74 118.95 124.77 1nr1 s ARG 98 Ca -0.02 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 1nr1 s ARG 98 Cb -0.17 -3.30 0.19 0.00 -1.56 0.00 0.00 34.95 30.11 1nr1 s ARG 98 CO -0.07 0.17 0.62 0.71 -0.81 0.00 0.00 175.30 175.91 1nr1 s TYR 99 N 0.67 3.62 0.03 5.12 4.12 -1.26 -0.49 117.35 129.16 1nr1 s TYR 99 Ca 0.04 -2.63 -0.09 0.00 0.02 0.00 0.00 57.07 54.41 1nr1 s TYR 99 Cb -0.13 -3.37 0.00 0.00 -1.52 0.00 0.00 41.96 36.94 1nr1 s TYR 99 CO 0.02 -0.85 0.19 0.45 0.02 0.00 0.00 175.55 175.37 1nr1 s SER 100 N 0.83 0.02 0.00 2.29 0.15 -0.34 -4.36 113.70 112.30 1nr1 s SER 100 Ca 0.20 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.77 1nr1 s SER 100 Cb -0.15 0.27 1.30 0.00 -1.71 0.00 0.00 66.02 65.74 1nr1 s SER 100 CO -0.07 -0.52 1.85 0.41 1.20 0.00 0.00 173.24 176.12 1nr1 n THR 101 N 0.85 0.03 -0.69 6.45 -1.04 -0.97 -2.56 114.28 116.35 1nr1 n THR 101 Ca -0.20 -0.08 0.07 0.00 -2.04 0.00 0.00 64.05 61.81 1nr1 n THR 101 Cb 0.58 -0.17 0.21 0.00 -1.82 0.00 0.00 70.33 69.12 1nr1 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nr1 n ASP 102 N -0.59 3.39 -4.74 8.00 5.68 -1.26 -4.87 116.55 122.16 1nr1 n ASP 102 Ca 0.18 -2.64 -0.36 0.00 -0.50 0.00 0.00 54.79 51.47 1nr1 n ASP 102 Cb 0.15 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1nr1 n ASP 102 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1nr1 s VAL 103 N -2.15 2.49 0.10 2.12 -7.23 -1.20 -5.01 120.40 109.52 1nr1 s VAL 103 Ca 0.33 0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.64 1nr1 s VAL 103 Cb 0.25 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 34.19 1nr1 s VAL 103 CO 0.10 -0.09 0.35 -0.94 -0.31 0.00 0.00 175.10 174.21 1nr1 s SER 104 N -1.73 -0.15 0.34 4.85 1.04 -1.26 -4.87 113.70 111.92 1nr1 s SER 104 Ca 0.77 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.88 1nr1 s SER 104 Cb -0.31 0.43 0.63 0.00 0.10 0.00 0.00 66.02 66.87 1nr1 s SER 104 CO 0.38 -0.78 1.98 0.58 0.98 0.00 0.00 173.24 176.37 1nr1 h VAL 105 N 2.60 1.11 0.02 5.02 2.07 -1.97 -1.71 116.25 123.40 1nr1 h VAL 105 Ca -0.33 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1nr1 h VAL 105 Cb 1.23 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1nr1 h VAL 105 CO 0.48 0.16 -0.01 0.44 0.02 0.00 0.00 177.57 178.67 1nr1 h ASP 106 N 0.89 -0.02 -0.02 0.57 5.19 -1.98 0.39 116.42 121.43 1nr1 h ASP 106 Ca 0.29 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1nr1 h ASP 106 Cb 0.05 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1nr1 h ASP 106 CO -0.08 0.18 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.11 1nr1 h GLU 107 N -0.23 -0.03 -0.41 3.56 4.81 -1.77 0.05 114.58 120.56 1nr1 h GLU 107 Ca -0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1nr1 h GLU 107 Cb 0.22 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 1nr1 h GLU 107 CO 0.00 -0.02 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.71 1nr1 h VAL 108 N -0.03 0.47 -0.63 0.32 -1.51 -1.25 -0.82 116.25 112.80 1nr1 h VAL 108 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.54 1nr1 h VAL 108 Cb 0.04 0.47 -0.09 0.00 -2.13 0.00 0.00 31.29 29.57 1nr1 h VAL 108 CO -0.04 0.00 -0.54 0.11 -1.23 0.00 0.00 177.57 175.87 1nr1 h LYS 109 N -0.08 -0.21 -0.68 5.19 1.57 0.41 -0.93 116.57 121.84 1nr1 h LYS 109 Ca 0.20 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1nr1 h LYS 109 Cb 0.39 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1nr1 h LYS 109 CO -0.47 -0.14 0.35 0.00 -0.57 0.00 0.00 179.45 178.62 1nr1 h ALA 110 N 0.12 0.92 -0.15 3.86 0.00 0.35 -1.59 119.26 122.78 1nr1 h ALA 110 Ca 0.11 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1nr1 h ALA 110 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nr1 h ALA 110 CO -0.71 -0.02 -0.56 -0.07 0.00 0.00 0.00 179.25 177.89 1nr1 h LEU 111 N 0.62 0.52 -0.01 0.00 3.38 -0.82 -1.57 115.31 117.43 1nr1 h LEU 111 Ca 0.32 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nr1 h LEU 111 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nr1 h LEU 111 CO -0.23 0.97 -0.06 0.00 0.09 0.00 0.00 178.44 179.21 1nr1 h ALA 112 N 1.04 -0.05 -0.14 1.53 0.00 -0.61 0.15 119.26 121.19 1nr1 h ALA 112 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nr1 h ALA 112 Cb 1.08 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1nr1 h ALA 112 CO 0.10 -0.55 -0.37 1.03 0.00 0.00 0.00 179.25 179.46 1nr1 h SER 113 N -0.10 -1.20 -0.99 0.00 0.87 -1.11 0.64 113.55 111.67 1nr1 h SER 113 Ca 0.03 0.15 0.35 0.00 -1.23 0.00 0.00 61.79 61.08 1nr1 h SER 113 Cb 0.13 0.47 -0.18 0.00 -0.44 0.00 0.00 62.40 62.39 1nr1 h SER 113 CO -0.07 -0.31 0.35 0.25 -0.53 0.00 0.00 176.83 176.52 1nr1 h LEU 114 N -0.36 0.06 -1.12 2.23 5.85 -0.45 0.37 115.31 121.88 1nr1 h LEU 114 Ca 0.03 0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1nr1 h LEU 114 Cb 0.45 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1nr1 h LEU 114 CO -0.33 -0.36 0.11 0.24 -0.34 0.00 0.00 178.44 177.76 1nr1 h MET 115 N 0.05 0.73 -0.36 1.25 2.86 0.16 0.39 114.93 120.01 1nr1 h MET 115 Ca 0.74 -0.14 -0.15 0.00 -2.06 0.00 0.00 59.70 58.08 1nr1 h MET 115 Cb 1.78 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.32 1nr1 h MET 115 CO -0.80 0.67 -0.35 1.79 1.06 0.00 0.00 176.91 179.28 1nr1 h THR 116 N 0.71 1.28 -0.23 2.22 1.35 0.41 -1.07 112.91 117.58 1nr1 h THR 116 Ca 0.16 -1.53 -0.19 0.00 -0.55 0.00 0.00 66.41 64.30 1nr1 h THR 116 Cb 0.28 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1nr1 h THR 116 CO -0.00 0.51 -0.60 1.88 -0.25 0.00 0.00 175.52 177.05 1nr1 h TYR 117 N 0.68 0.98 -0.71 4.73 0.05 -1.28 -2.45 116.97 118.97 1nr1 h TYR 117 Ca 0.06 -0.37 -0.05 0.00 0.05 0.00 0.00 58.73 58.42 1nr1 h TYR 117 Cb 0.94 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1nr1 h TYR 117 CO 0.07 1.18 0.25 -0.22 -1.05 0.00 0.00 178.16 178.39 1nr1 h LYS 118 N 0.58 1.07 -0.33 4.88 3.64 -0.87 -2.61 116.57 122.93 1nr1 h LYS 118 Ca -0.00 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1nr1 h LYS 118 Cb 1.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1nr1 h LYS 118 CO 0.13 0.89 0.06 0.00 -2.27 0.00 0.00 179.45 178.26 1nr1 h ALA 120 N 0.90 -0.32 -0.54 0.00 0.00 -1.23 0.26 119.26 118.33 1nr1 h ALA 120 Ca 0.10 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1nr1 h ALA 120 Cb 0.34 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1nr1 h ALA 120 CO 0.01 -0.77 -0.54 0.28 0.00 0.00 0.00 179.25 178.22 1nr1 h VAL 121 N -0.36 0.01 -0.20 0.00 2.07 -1.42 0.54 116.25 116.90 1nr1 h VAL 121 Ca 0.11 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 1nr1 h VAL 121 Cb 0.53 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1nr1 h VAL 121 CO -0.38 0.00 0.10 1.33 0.02 0.00 0.00 177.57 178.63 1nr1 n VAL 122 N -5.36 1.20 -3.23 2.57 0.24 -1.11 -4.77 118.33 107.86 1nr1 n VAL 122 Ca -0.02 -0.42 -0.25 0.00 -2.04 0.00 0.00 64.34 61.62 1nr1 n VAL 122 Cb 0.33 -0.71 0.01 0.00 -1.47 0.00 0.00 33.84 32.01 1nr1 n VAL 122 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nr1 n ASP 123 N 0.12 -3.91 -3.96 -1.34 8.00 0.19 -4.95 116.55 110.70 1nr1 n ASP 123 Ca 0.11 -0.46 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 1nr1 n ASP 123 Cb 0.67 -1.22 -0.16 0.00 -0.02 0.00 0.00 41.12 40.39 1nr1 n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nr1 s VAL 124 N -1.98 1.35 -0.75 2.53 1.01 0.85 -5.00 120.40 118.41 1nr1 s VAL 124 Ca 0.14 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1nr1 s VAL 124 Cb -0.01 -1.38 -0.13 0.00 0.00 0.00 0.00 36.38 34.86 1nr1 s VAL 124 CO 0.68 0.31 1.93 -0.81 0.00 0.00 0.00 175.10 177.21 1nr1 n PRO 125 N 4.82 1.56 -3.78 2.72 -0.04 -1.26 -4.17 135.00 134.85 1nr1 n PRO 125 Ca -0.14 -1.64 -0.13 0.00 -0.04 0.00 0.00 63.50 61.55 1nr1 n PRO 125 Cb 0.49 -2.73 -0.11 0.00 -0.04 0.00 0.00 33.50 31.11 1nr1 n PRO 125 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nr1 s PHE 126 N 4.61 -0.29 0.44 0.54 2.99 -1.26 -4.55 117.98 120.45 1nr1 s PHE 126 Ca 0.50 0.71 -0.21 0.00 0.00 0.00 0.00 56.93 57.93 1nr1 s PHE 126 Cb 0.13 0.10 -0.11 0.00 0.00 0.00 0.00 43.02 43.14 1nr1 s PHE 126 CO 0.08 -0.17 0.95 0.20 -0.00 0.00 0.00 175.22 176.28 1nr1 s GLY 127 N 0.01 2.36 0.19 4.36 0.00 -0.90 -4.77 107.32 108.56 1nr1 s GLY 127 Ca -0.01 0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 1nr1 s GLY 127 CO 0.01 0.66 0.75 -0.32 0.00 0.00 0.00 173.10 174.20 1nr1 s GLY 128 N -2.26 2.79 0.28 0.20 0.00 -1.24 -0.03 107.32 107.05 1nr1 s GLY 128 Ca 0.62 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 1nr1 s GLY 128 CO 0.15 0.72 0.37 0.00 0.00 0.00 0.00 173.10 174.35 1nr1 s ALA 129 N -1.30 0.64 -0.23 3.20 0.00 0.14 0.69 121.76 124.90 1nr1 s ALA 129 Ca 0.38 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.66 1nr1 s ALA 129 Cb -0.20 1.21 0.15 0.00 0.00 0.00 0.00 23.12 24.28 1nr1 s ALA 129 CO 0.24 -0.75 1.14 0.21 0.00 0.00 0.00 175.76 176.60 1nr1 s LYS 130 N -3.66 0.38 0.46 0.00 2.47 -0.32 -3.92 119.74 115.16 1nr1 s LYS 130 Ca 0.31 0.19 0.03 0.00 -1.56 0.00 0.00 55.97 54.94 1nr1 s LYS 130 Cb 0.02 0.18 -0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1nr1 s LYS 130 CO 0.15 -0.10 0.08 0.00 0.16 0.00 0.00 175.35 175.64 1nr1 s ALA 131 N -0.68 3.51 -0.02 3.13 0.00 -0.22 -0.07 121.76 127.40 1nr1 s ALA 131 Ca 0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1nr1 s ALA 131 Cb -0.02 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1nr1 s ALA 131 CO -0.04 -0.20 0.69 0.20 0.00 0.00 0.00 175.76 176.41 1nr1 s GLY 132 N -3.74 -0.56 -0.38 0.00 0.00 -0.20 -3.14 107.32 99.30 1nr1 s GLY 132 Ca 0.14 1.21 0.10 0.00 0.00 0.00 0.00 44.72 46.18 1nr1 s GLY 132 CO 0.09 0.80 0.64 -0.62 0.00 0.00 0.00 173.10 174.01 1nr1 n VAL 133 N 0.63 -0.41 0.00 1.40 0.31 0.36 -0.86 118.33 119.76 1nr1 n VAL 133 Ca -0.18 -4.29 0.00 0.00 -0.01 0.00 0.00 64.34 59.86 1nr1 n VAL 133 Cb 0.59 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1nr1 n VAL 133 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1nr1 n LYS 134 N 0.80 0.00 -4.11 5.55 4.81 -1.15 -4.37 118.16 119.69 1nr1 n LYS 134 Ca 0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1nr1 n LYS 134 Cb 0.60 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.55 1nr1 n LYS 134 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nr1 s ILE 135 N 0.00 0.38 -0.44 3.15 1.09 -1.06 -4.72 121.20 119.61 1nr1 s ILE 135 Ca 0.00 -1.83 0.02 0.00 -1.10 0.00 0.00 60.65 57.74 1nr1 s ILE 135 Cb 0.00 -1.54 0.12 0.00 -1.06 0.00 0.00 42.46 39.98 1nr1 s ILE 135 CO 0.00 -0.94 0.19 0.21 -0.10 0.00 0.00 174.94 174.30 1nr1 s ASN 136 N -2.92 4.80 0.32 3.58 3.84 -1.26 -1.20 114.94 122.09 1nr1 s ASN 136 Ca 0.08 -2.46 0.18 0.00 0.21 0.00 0.00 52.86 50.87 1nr1 s ASN 136 Cb 0.07 -1.70 1.15 0.00 -0.55 0.00 0.00 41.25 40.22 1nr1 s ASN 136 CO -0.08 -0.37 1.35 -2.65 -2.79 0.00 0.00 177.10 172.56 1nr1 n PRO 137 N 3.90 -0.05 -0.33 0.43 -0.02 -1.26 -0.58 135.00 137.10 1nr1 n PRO 137 Ca 0.04 1.17 0.10 0.00 -2.02 0.00 0.00 63.50 62.79 1nr1 n PRO 137 Cb 0.39 -2.11 0.27 0.00 -0.02 0.00 0.00 33.50 32.03 1nr1 n PRO 137 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nr1 h LYS 138 N 0.00 0.70 -0.95 -0.52 1.79 -1.95 -1.05 116.57 114.60 1nr1 h LYS 138 Ca 0.72 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 59.12 1nr1 h LYS 138 Cb 1.93 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 32.40 1nr1 h LYS 138 CO -0.65 0.46 0.04 0.09 -1.08 0.00 0.00 179.45 178.31 1nr1 n ASN 139 N -4.80 2.24 -3.97 0.86 3.02 0.26 -4.81 115.26 108.06 1nr1 n ASN 139 Ca 0.20 -2.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 1nr1 n ASN 139 Cb 0.50 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 1nr1 n ASN 139 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nr1 s TYR 140 N -1.12 0.33 0.98 3.10 2.02 -0.40 -5.06 117.35 117.21 1nr1 s TYR 140 Ca 0.10 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 1nr1 s TYR 140 Cb 0.08 -0.21 0.18 0.00 -0.40 0.00 0.00 41.96 41.60 1nr1 s TYR 140 CO 0.03 -0.08 1.10 -0.08 -1.57 0.00 0.00 175.55 174.94 1nr1 s THR 141 N -0.83 2.08 0.06 -0.71 -1.32 -1.26 -4.85 115.64 108.80 1nr1 s THR 141 Ca -0.07 0.02 -0.37 0.00 -1.21 0.00 0.00 61.69 60.06 1nr1 s THR 141 Cb -0.06 -2.57 -0.21 0.00 -1.51 0.00 0.00 72.50 68.16 1nr1 s THR 141 CO -0.00 -0.03 1.57 0.44 -2.21 0.00 0.00 174.62 174.39 1nr1 h ASP 142 N -1.81 -1.08 -0.61 8.08 5.19 -1.98 -2.33 116.42 121.87 1nr1 h ASP 142 Ca -0.54 0.04 0.18 0.00 -0.62 0.00 0.00 57.03 56.09 1nr1 h ASP 142 Cb 1.33 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 1nr1 h ASP 142 CO 0.58 -0.77 0.74 -1.13 -3.12 0.00 0.00 179.24 175.54 1nr1 h ASN 143 N -1.29 0.00 0.09 6.45 -0.73 -2.00 0.46 115.58 118.56 1nr1 h ASN 143 Ca -0.13 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.90 1nr1 h ASN 143 Cb 0.98 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.59 1nr1 h ASN 143 CO 0.21 0.00 -0.60 -0.33 -0.37 0.00 0.00 177.43 176.34 1nr1 h GLU 144 N 0.00 0.25 -0.02 6.67 5.08 -1.85 -3.11 114.58 121.60 1nr1 h GLU 144 Ca 0.29 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nr1 h GLU 144 Cb 1.76 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.15 1nr1 h GLU 144 CO -0.00 1.16 0.12 -0.07 -1.00 0.00 0.00 179.01 179.22 1nr1 h LEU 145 N -0.47 0.00 0.00 1.33 3.38 0.42 0.31 115.31 120.28 1nr1 h LEU 145 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1nr1 h LEU 145 Cb 1.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1nr1 h LEU 145 CO 0.11 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.54 1nr1 h GLU 146 N 0.00 0.00 0.00 1.13 4.81 -1.35 -2.91 114.58 116.25 1nr1 h GLU 146 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1nr1 h GLU 146 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1nr1 h GLU 146 CO -0.00 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.11 1nr1 n LYS 147 N -4.74 0.00 -0.34 1.92 5.02 -0.22 -0.08 118.16 119.71 1nr1 n LYS 147 Ca -0.02 0.82 0.23 0.00 -2.02 0.00 0.00 58.31 57.32 1nr1 n LYS 147 Cb 0.10 -1.28 0.47 0.00 -0.02 0.00 0.00 35.03 34.30 1nr1 n LYS 147 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1nr1 h ILE 148 N 0.00 0.36 -0.10 -0.18 2.04 -0.61 -0.95 117.51 118.06 1nr1 h ILE 148 Ca 0.00 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.54 1nr1 h ILE 148 Cb 0.00 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1nr1 h ILE 148 CO 0.00 0.07 -0.74 0.71 0.00 0.00 0.00 178.15 178.19 1nr1 h THR 149 N 0.37 1.35 0.50 -0.27 1.35 -0.28 -1.90 112.91 114.03 1nr1 h THR 149 Ca 0.71 -2.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1nr1 h THR 149 Cb 1.62 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1nr1 h THR 149 CO -0.55 0.64 -0.24 0.03 -0.25 0.00 0.00 175.52 175.15 1nr1 h ARG 150 N 0.34 -0.64 -0.60 4.72 3.08 0.27 -0.03 114.38 121.52 1nr1 h ARG 150 Ca -0.04 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.21 1nr1 h ARG 150 Cb 1.33 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 1nr1 h ARG 150 CO 0.13 -0.34 0.42 0.00 -1.07 0.00 0.00 179.97 179.11 1nr1 h ARG 151 N -1.04 0.15 -0.13 0.04 3.08 -1.43 0.46 114.38 115.50 1nr1 h ARG 151 Ca -0.07 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1nr1 h ARG 151 Cb 0.59 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1nr1 h ARG 151 CO 0.11 0.10 -0.08 0.35 -1.07 0.00 0.00 179.97 179.38 1nr1 h PHE 152 N 0.15 0.34 0.18 3.04 3.57 -1.18 -2.03 116.94 121.01 1nr1 h PHE 152 Ca 0.29 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1nr1 h PHE 152 Cb 0.94 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1nr1 h PHE 152 CO -0.00 0.64 -0.42 1.15 -2.23 0.00 0.00 178.31 177.45 1nr1 h THR 153 N -0.06 0.15 -0.50 4.41 2.02 0.17 -2.24 112.91 116.86 1nr1 h THR 153 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1nr1 h THR 153 Cb 0.56 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1nr1 h THR 153 CO 0.02 0.00 -0.48 0.24 0.37 0.00 0.00 175.52 175.68 1nr1 h MET 154 N -0.70 -0.29 0.00 6.66 2.86 -0.51 0.39 114.93 123.34 1nr1 h MET 154 Ca 0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nr1 h MET 154 Cb 0.70 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1nr1 h MET 154 CO -0.21 -0.19 0.00 0.39 1.06 0.00 0.00 176.91 177.96 1nr1 n GLU 155 N -5.39 0.58 -0.14 1.72 -0.58 -0.77 -1.41 120.64 114.65 1nr1 n GLU 155 Ca -0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1nr1 n GLU 155 Cb 0.35 -1.21 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 1nr1 n GLU 155 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1nr1 n LEU 156 N -0.71 2.11 -0.20 -4.62 7.94 0.10 -4.08 117.00 117.54 1nr1 n LEU 156 Ca 0.06 0.27 -0.02 0.00 -1.11 0.00 0.00 56.01 55.21 1nr1 n LEU 156 Cb 0.03 -0.84 0.09 0.00 0.53 0.00 0.00 43.42 43.22 1nr1 n LEU 156 CO 0.04 0.62 1.04 0.00 -1.11 0.00 0.00 177.39 177.98 1nr1 h ALA 157 N -0.82 0.80 0.00 1.96 0.00 0.16 -0.62 119.26 120.74 1nr1 h ALA 157 Ca -0.67 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1nr1 h ALA 157 Cb 1.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1nr1 h ALA 157 CO -0.36 -0.07 -0.03 0.87 0.00 0.00 0.00 179.25 179.66 1nr1 h LYS 158 N 0.55 0.00 -0.25 0.00 1.57 -1.44 -3.00 116.57 114.00 1nr1 h LYS 158 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1nr1 h LYS 158 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1nr1 h LYS 158 CO -0.21 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.33 1nr1 n LYS 159 N -3.17 2.05 -1.38 3.15 4.76 -0.65 -5.00 118.16 117.93 1nr1 n LYS 159 Ca -0.01 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.63 1nr1 n LYS 159 Cb 0.26 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1nr1 n LYS 159 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nr1 n GLY 160 N 0.70 0.59 0.98 0.72 0.00 -0.67 -5.01 105.19 102.49 1nr1 n GLY 160 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.83 1nr1 n GLY 160 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nr1 n PHE 161 N -0.89 0.00 -3.15 1.61 3.72 -0.33 -4.89 117.46 113.53 1nr1 n PHE 161 Ca 0.00 -0.61 0.05 0.00 -0.05 0.00 0.00 57.45 56.84 1nr1 n PHE 161 Cb 0.32 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 1nr1 n PHE 161 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nr1 s ILE 162 N -0.84 -0.35 -0.22 4.37 2.07 -1.25 -4.79 121.20 120.18 1nr1 s ILE 162 Ca 0.27 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.24 1nr1 s ILE 162 Cb 0.29 -0.75 0.10 0.00 0.13 0.00 0.00 42.46 42.23 1nr1 s ILE 162 CO -0.09 0.00 0.90 -0.83 -1.91 0.00 0.00 174.94 173.01 1nr1 s GLY 163 N 2.95 -0.33 0.61 1.50 0.00 0.59 -4.56 107.32 108.08 1nr1 s GLY 163 Ca 0.10 2.21 0.38 0.00 0.00 0.00 0.00 44.72 47.41 1nr1 s GLY 163 CO -0.16 1.54 2.15 -0.56 0.00 0.00 0.00 173.10 176.08 1nr1 h PRO 164 N 3.93 0.00 -0.00 2.90 0.13 -1.80 0.16 132.00 137.32 1nr1 h PRO 164 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1nr1 h PRO 164 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nr1 h PRO 164 CO 0.17 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.19 1nr1 n GLY 165 N -1.14 0.01 0.21 1.56 0.00 -1.26 -4.81 105.19 99.76 1nr1 n GLY 165 Ca -0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1nr1 n GLY 165 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nr1 n ILE 166 N -0.60 1.44 -3.65 -0.61 2.08 -0.45 -3.57 119.36 113.99 1nr1 n ILE 166 Ca 0.02 0.18 -0.06 0.00 0.56 0.00 0.00 62.75 63.45 1nr1 n ILE 166 Cb 0.10 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 36.69 1nr1 n ILE 166 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1nr1 s ASP 167 N -5.89 -0.93 -0.23 4.38 -1.08 -0.08 -1.07 116.67 111.77 1nr1 s ASP 167 Ca -0.25 1.45 0.01 0.00 -0.52 0.00 0.00 52.55 53.25 1nr1 s ASP 167 Cb 0.03 1.56 0.06 0.00 -1.46 0.00 0.00 42.92 43.11 1nr1 s ASP 167 CO 0.37 -0.23 -0.08 -0.69 0.52 0.00 0.00 175.17 175.06 1nr1 s VAL 168 N 1.98 1.71 0.89 1.11 1.01 0.26 0.22 120.40 127.58 1nr1 s VAL 168 Ca -0.09 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1nr1 s VAL 168 Cb -0.07 -1.90 0.15 0.00 0.00 0.00 0.00 36.38 34.56 1nr1 s VAL 168 CO -0.19 -0.03 1.26 -2.84 0.00 0.00 0.00 175.10 173.30 1nr1 s PRO 169 N 1.32 1.21 0.35 2.72 0.02 -1.22 -3.26 135.00 136.15 1nr1 s PRO 169 Ca -0.06 -0.20 -0.07 0.00 0.02 0.00 0.00 61.00 60.68 1nr1 s PRO 169 Cb -0.19 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.45 1nr1 s PRO 169 CO -0.06 -2.05 0.57 0.00 -0.33 0.00 0.00 177.00 175.12 1nr1 s ALA 170 N -3.75 0.23 1.07 -1.55 0.00 0.22 -1.10 121.76 116.89 1nr1 s ALA 170 Ca 0.69 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 1nr1 s ALA 170 Cb -0.07 1.01 0.23 0.00 0.00 0.00 0.00 23.12 24.29 1nr1 s ALA 170 CO 0.51 -0.85 1.18 -2.14 0.00 0.00 0.00 175.76 174.45 1nr1 s PRO 171 N -2.94 -0.19 -0.30 0.00 0.02 -1.26 0.16 135.00 130.48 1nr1 s PRO 171 Ca 0.25 -0.08 -0.08 0.00 0.02 0.00 0.00 61.00 61.12 1nr1 s PRO 171 Cb -0.02 -1.72 0.19 0.00 0.02 0.00 0.00 34.50 32.97 1nr1 s PRO 171 CO 0.17 -3.02 0.97 0.34 -0.33 0.00 0.00 177.00 175.12 1nr1 s ASP 172 N -4.19 -0.60 0.00 2.53 2.15 -0.95 -4.10 116.67 111.52 1nr1 s ASP 172 Ca 0.70 0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.69 1nr1 s ASP 172 Cb -0.09 1.27 0.00 0.00 -0.30 0.00 0.00 42.92 43.79 1nr1 s ASP 172 CO 0.55 -0.10 0.00 0.23 -0.17 0.00 0.00 175.17 175.67 1nr1 n MET 173 N 4.92 0.00 -0.39 4.34 2.81 -1.26 -1.01 117.12 126.52 1nr1 n MET 173 Ca 0.08 0.00 0.33 0.00 -1.81 0.00 0.00 57.70 56.31 1nr1 n MET 173 Cb 0.58 0.00 0.60 0.00 -0.71 0.00 0.00 33.22 33.69 1nr1 n MET 173 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1nr1 h SER 174 N 0.00 0.31 -4.12 7.83 4.64 -1.89 -3.40 113.55 116.93 1nr1 h SER 174 Ca 0.00 0.19 -0.69 0.00 -0.47 0.00 0.00 61.79 60.82 1nr1 h SER 174 Cb 0.00 0.18 -0.24 0.00 -0.31 0.00 0.00 62.40 62.03 1nr1 h SER 174 CO 0.00 -0.27 -0.85 0.42 -0.87 0.00 0.00 176.83 175.26 1nr1 s THR 175 N -5.43 2.43 0.00 2.95 -4.23 -0.18 -4.81 115.64 106.37 1nr1 s THR 175 Ca -0.08 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1nr1 s THR 175 Cb 0.31 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1nr1 s THR 175 CO 0.80 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.82 1nr1 n GLY 176 N 1.59 4.21 0.00 3.99 0.00 -1.26 -2.23 105.19 111.48 1nr1 n GLY 176 Ca -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1nr1 n GLY 176 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nr1 n GLU 177 N 0.00 0.00 -0.04 1.61 0.28 -1.26 -1.44 120.64 119.79 1nr1 n GLU 177 Ca 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 57.16 57.08 1nr1 n GLU 177 Cb 0.00 -1.55 -0.00 0.00 1.43 0.00 0.00 31.44 31.32 1nr1 n GLU 177 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1nr1 h ARG 178 N 0.00 0.00 -0.58 3.44 2.43 -1.94 -2.83 114.38 114.89 1nr1 h ARG 178 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1nr1 h ARG 178 Cb 0.09 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.53 1nr1 h ARG 178 CO 0.00 0.00 -0.16 0.93 -1.51 0.00 0.00 179.97 179.23 1nr1 h GLU 179 N -0.75 -0.01 -0.26 0.20 3.07 -1.63 -1.41 114.58 113.78 1nr1 h GLU 179 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1nr1 h GLU 179 Cb 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 1nr1 h GLU 179 CO 0.00 -0.01 -0.34 0.52 -1.40 0.00 0.00 179.01 177.78 1nr1 h MET 180 N -0.02 -0.33 -0.01 2.33 2.86 -1.62 0.13 114.93 118.28 1nr1 h MET 180 Ca 0.28 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1nr1 h MET 180 Cb 0.44 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1nr1 h MET 180 CO -0.61 -0.22 0.02 1.03 1.06 0.00 0.00 176.91 178.20 1nr1 h SER 181 N -0.34 0.00 0.05 1.22 0.87 -1.01 0.18 113.55 114.51 1nr1 h SER 181 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1nr1 h SER 181 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1nr1 h SER 181 CO -0.45 0.00 -0.02 -0.50 -0.53 0.00 0.00 176.83 175.33 1nr1 h TRP 182 N 0.00 -0.06 -0.16 2.24 6.55 -0.43 -1.97 115.95 122.12 1nr1 h TRP 182 Ca 0.01 -0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.87 1nr1 h TRP 182 Cb 0.05 0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 28.31 1nr1 h TRP 182 CO 0.00 0.58 -0.47 0.82 -1.05 0.00 0.00 178.44 178.32 1nr1 h ILE 183 N -0.86 0.00 -0.41 1.49 1.08 0.11 0.31 117.51 119.23 1nr1 h ILE 183 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 1nr1 h ILE 183 Cb 0.66 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.32 1nr1 h ILE 183 CO 0.01 0.00 -0.22 0.00 -0.69 0.00 0.00 178.15 177.25 1nr1 h ALA 184 N -0.43 0.05 0.01 1.87 0.00 -0.84 -1.54 119.26 118.38 1nr1 h ALA 184 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nr1 h ALA 184 Cb 0.56 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1nr1 h ALA 184 CO -0.40 -0.59 -0.06 0.22 0.00 0.00 0.00 179.25 178.42 1nr1 h ASP 185 N -0.15 -0.16 -0.06 0.00 1.82 -0.66 -1.25 116.42 115.97 1nr1 h ASP 185 Ca 0.20 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1nr1 h ASP 185 Cb 0.46 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 1nr1 h ASP 185 CO -0.50 -0.08 -0.24 0.74 -1.61 0.00 0.00 179.24 177.54 1nr1 h THR 186 N -0.10 0.00 -0.67 2.25 2.02 0.33 -1.24 112.91 115.50 1nr1 h THR 186 Ca 0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.28 1nr1 h THR 186 Cb 0.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.43 1nr1 h THR 186 CO -0.05 0.00 -0.53 0.22 0.37 0.00 0.00 175.52 175.53 1nr1 h TYR 187 N -0.26 -1.64 0.00 3.16 3.20 -1.26 0.11 116.97 120.28 1nr1 h TYR 187 Ca 0.01 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1nr1 h TYR 187 Cb 0.30 0.80 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1nr1 h TYR 187 CO -0.50 -0.43 0.00 0.00 -1.64 0.00 0.00 178.16 175.59 1nr1 n ALA 188 N -3.18 1.26 0.30 1.82 0.00 -0.48 -0.63 120.51 119.60 1nr1 n ALA 188 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1nr1 n ALA 188 Cb 0.32 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1nr1 n ALA 188 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 189 N -1.40 1.14 0.00 0.00 7.64 0.26 -3.95 113.62 117.31 1nr1 n SER 189 Ca 0.01 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1nr1 n SER 189 Cb 0.03 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1nr1 n SER 189 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nr1 n THR 190 N -0.15 0.00 -0.08 0.44 -1.04 -0.46 -4.82 114.28 108.18 1nr1 n THR 190 Ca 0.03 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1nr1 n THR 190 Cb 0.15 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1nr1 n THR 190 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nr1 h ILE 191 N 0.00 0.76 -0.30 12.58 1.08 -1.81 -2.80 117.51 127.02 1nr1 h ILE 191 Ca 0.00 -0.02 -0.19 0.00 -0.39 0.00 0.00 64.86 64.26 1nr1 h ILE 191 Cb 0.00 0.70 -0.09 0.00 -3.07 0.00 0.00 36.82 34.36 1nr1 h ILE 191 CO 0.00 0.01 0.25 0.61 -0.69 0.00 0.00 178.15 178.33 1nr1 n GLY 192 N -1.23 3.33 0.25 5.37 0.00 0.20 -4.45 105.19 108.66 1nr1 n GLY 192 Ca -0.00 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1nr1 n GLY 192 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nr1 h HIS 193 N 1.05 0.00 0.00 1.61 6.17 -1.62 -3.16 115.15 119.20 1nr1 h HIS 193 Ca 0.18 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 61.04 1nr1 h HIS 193 Cb 1.10 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.98 1nr1 h HIS 193 CO 0.56 0.11 -1.68 0.66 0.71 0.00 0.00 177.93 178.30 1nr1 n TYR 194 N -3.28 0.80 -1.76 5.26 4.02 -1.26 -4.92 117.16 116.01 1nr1 n TYR 194 Ca 0.00 0.27 -0.36 0.00 -0.01 0.00 0.00 57.90 57.81 1nr1 n TYR 194 Cb 0.35 -1.08 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 1nr1 n TYR 194 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nr1 s ASP 195 N -5.77 4.75 0.00 7.72 3.68 -1.19 -4.88 116.67 120.98 1nr1 s ASP 195 Ca -0.05 0.70 0.00 0.00 2.13 0.00 0.00 52.55 55.33 1nr1 s ASP 195 Cb 0.08 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 1nr1 s ASP 195 CO 0.82 -2.73 0.81 0.00 0.13 0.00 0.00 175.17 174.21 1nr1 n ILE 196 N 7.72 1.29 -2.37 4.11 3.06 -1.26 0.52 119.36 132.43 1nr1 n ILE 196 Ca 0.31 0.47 -0.16 0.00 -2.50 0.00 0.00 62.75 60.86 1nr1 n ILE 196 Cb 0.53 -1.47 0.03 0.00 0.54 0.00 0.00 39.64 39.27 1nr1 n ILE 196 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nr1 n ASN 197 N -1.31 3.64 -0.06 9.51 3.02 -1.26 -4.80 115.26 124.01 1nr1 n ASN 197 Ca 0.00 -3.16 -0.15 0.00 -0.03 0.00 0.00 54.58 51.24 1nr1 n ASN 197 Cb 0.15 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1nr1 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nr1 h ALA 198 N 2.43 0.29 0.00 5.41 0.00 -0.22 -2.64 119.26 124.53 1nr1 h ALA 198 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nr1 h ALA 198 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nr1 h ALA 198 CO 0.58 0.39 0.06 0.72 0.00 0.00 0.00 179.25 181.00 1nr1 n HIS 199 N -4.26 0.00 0.62 0.00 8.25 -1.26 0.08 115.22 118.64 1nr1 n HIS 199 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.50 1nr1 n HIS 199 Cb 0.53 -0.31 0.27 0.00 1.12 0.00 0.00 29.99 31.61 1nr1 n HIS 199 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nr1 n ALA 200 N -1.28 2.45 0.70 -1.41 0.00 -0.99 -4.24 120.51 115.74 1nr1 n ALA 200 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 53.44 52.70 1nr1 n ALA 200 Cb 0.06 -0.97 0.38 0.00 0.00 0.00 0.00 19.45 18.92 1nr1 n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nr1 s VAL 202 N -2.64 0.00 0.24 0.00 0.11 -1.26 -3.39 120.40 113.46 1nr1 s VAL 202 Ca 0.13 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1nr1 s VAL 202 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1nr1 s VAL 202 CO 0.24 0.00 0.17 0.42 -3.33 0.00 0.00 175.10 172.60 1nr1 s THR 203 N 0.22 4.38 0.00 5.04 -4.23 -0.25 -4.64 115.64 116.15 1nr1 s THR 203 Ca 0.02 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1nr1 s THR 203 Cb -0.05 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1nr1 s THR 203 CO -0.04 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1nr1 n GLY 204 N -1.04 1.16 3.86 3.99 0.00 -1.26 -4.15 105.19 107.76 1nr1 n GLY 204 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1nr1 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nr1 s LYS 205 N -0.24 3.58 0.28 1.61 1.02 -1.26 -4.10 119.74 120.63 1nr1 s LYS 205 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 55.97 56.49 1nr1 s LYS 205 Cb 0.00 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 1nr1 s LYS 205 CO 0.00 -0.59 1.34 -2.14 -0.92 0.00 0.00 175.35 173.04 1nr1 s PRO 206 N -5.03 4.35 0.48 -1.68 0.02 -1.26 -3.84 135.00 128.03 1nr1 s PRO 206 Ca 0.56 2.19 0.31 0.00 0.02 0.00 0.00 61.00 64.07 1nr1 s PRO 206 Cb -0.11 -3.11 1.40 0.00 0.02 0.00 0.00 34.50 32.69 1nr1 s PRO 206 CO 0.51 -0.25 1.75 0.82 -0.33 0.00 0.00 177.00 179.50 1nr1 h ILE 207 N 3.32 0.37 0.00 2.83 5.03 -1.92 1.97 117.51 129.11 1nr1 h ILE 207 Ca -0.47 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1nr1 h ILE 207 Cb 1.22 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 35.22 1nr1 h ILE 207 CO 0.71 0.03 0.00 -1.54 -0.68 0.00 0.00 178.15 176.67 1nr1 n SER 208 N -4.40 0.00 -2.31 1.72 3.41 -1.26 -3.04 113.62 107.75 1nr1 n SER 208 Ca 0.29 0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 59.06 1nr1 n SER 208 Cb 1.21 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1nr1 n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nr1 n GLN 209 N -1.47 3.49 -3.47 4.33 1.13 0.67 -4.95 117.38 117.11 1nr1 n GLN 209 Ca 0.06 -4.38 -0.19 0.00 -1.94 0.00 0.00 57.00 50.56 1nr1 n GLN 209 Cb 0.26 -2.26 0.09 0.00 0.11 0.00 0.00 30.24 28.44 1nr1 n GLN 209 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nr1 n GLY 210 N -0.56 -0.41 3.95 1.08 0.00 -1.16 -4.38 105.19 103.70 1nr1 n GLY 210 Ca 0.41 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.38 1nr1 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nr1 s GLY 211 N -4.10 1.81 -0.07 -0.02 0.00 -1.06 -4.73 107.32 99.15 1nr1 s GLY 211 Ca 0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 1nr1 s GLY 211 CO 0.73 -1.50 0.01 -1.50 0.00 0.00 0.00 173.10 170.84 1nr1 s ILE 212 N -2.29 4.33 0.45 0.90 2.07 -1.26 -4.60 121.20 120.80 1nr1 s ILE 212 Ca 0.47 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 59.18 1nr1 s ILE 212 Cb -0.08 -2.85 -0.08 0.00 0.13 0.00 0.00 42.46 39.58 1nr1 s ILE 212 CO 0.30 0.55 1.09 -1.00 -1.91 0.00 0.00 174.94 173.97 1nr1 s HIS 213 N -0.94 3.02 0.00 3.50 3.76 -1.26 -3.58 115.29 119.79 1nr1 s HIS 213 Ca 0.15 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 1nr1 s HIS 213 Cb -0.11 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.37 1nr1 s HIS 213 CO 0.04 -1.04 0.00 0.41 -0.85 0.00 0.00 174.74 173.31 1nr1 n GLY 214 N 0.22 0.76 0.21 -2.22 0.00 -1.26 -4.37 105.19 98.53 1nr1 n GLY 214 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1nr1 n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nr1 h ARG 215 N 3.88 -0.44 -0.20 1.61 2.43 -1.98 -2.75 114.38 116.92 1nr1 h ARG 215 Ca 0.00 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1nr1 h ARG 215 Cb 0.00 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 1nr1 h ARG 215 CO 0.00 -0.12 -0.52 0.82 -1.51 0.00 0.00 179.97 178.64 1nr1 h ILE 216 N -0.85 0.03 -0.39 1.20 1.08 -1.94 -2.02 117.51 114.62 1nr1 h ILE 216 Ca -0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1nr1 h ILE 216 Cb 0.53 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1nr1 h ILE 216 CO 0.08 0.00 0.26 0.77 -0.69 0.00 0.00 178.15 178.57 1nr1 h SER 217 N -0.52 0.31 0.00 1.72 4.64 -1.97 -3.37 113.55 114.36 1nr1 h SER 217 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nr1 h SER 217 Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nr1 h SER 217 CO -0.47 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 175.70 1nr1 n ALA 218 N -2.51 0.00 -0.08 5.18 0.00 -0.76 -1.37 120.51 120.98 1nr1 n ALA 218 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1nr1 n ALA 218 Cb 0.19 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 1nr1 n ALA 218 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nr1 n THR 219 N -1.36 -0.12 -0.17 0.00 -1.04 -1.26 -0.70 114.28 109.64 1nr1 n THR 219 Ca 0.00 1.61 -0.09 0.00 -2.04 0.00 0.00 64.05 63.53 1nr1 n THR 219 Cb 0.00 -2.10 -0.07 0.00 -1.82 0.00 0.00 70.33 66.34 1nr1 n THR 219 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1nr1 h GLY 220 N 0.00 -1.35 -0.73 3.41 0.00 -1.44 0.17 103.07 103.13 1nr1 h GLY 220 Ca 0.03 0.82 0.11 0.00 0.00 0.00 0.00 47.33 48.29 1nr1 h GLY 220 CO -0.17 -0.30 -0.43 3.21 0.00 0.00 0.00 176.54 178.85 1nr1 h ARG 221 N -0.17 -0.10 -0.88 4.80 3.08 -0.58 0.18 114.38 120.72 1nr1 h ARG 221 Ca 0.07 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.21 1nr1 h ARG 221 Cb 0.36 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1nr1 h ARG 221 CO -0.50 -0.07 -0.51 0.41 -1.07 0.00 0.00 179.97 178.22 1nr1 n GLY 222 N -1.41 -2.27 0.30 0.04 0.00 0.51 0.40 105.19 102.76 1nr1 n GLY 222 Ca 0.05 1.04 -0.09 0.00 0.00 0.00 0.00 46.02 47.03 1nr1 n GLY 222 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nr1 h VAL 223 N 0.00 0.00 -0.13 1.61 2.07 0.25 0.26 116.25 120.31 1nr1 h VAL 223 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1nr1 h VAL 223 Cb 0.36 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1nr1 h VAL 223 CO -0.83 0.00 -0.08 0.33 0.02 0.00 0.00 177.57 177.02 1nr1 n PHE 224 N -4.52 -0.06 -0.30 1.57 -0.00 0.16 -0.42 117.46 113.90 1nr1 n PHE 224 Ca -0.01 0.16 0.06 0.00 -0.00 0.00 0.00 57.45 57.66 1nr1 n PHE 224 Cb 0.21 -0.45 0.21 0.00 -0.00 0.00 0.00 39.48 39.45 1nr1 n PHE 224 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1nr1 h HIS 225 N 0.00 0.83 -0.57 -5.13 3.86 -0.32 0.25 115.15 114.06 1nr1 h HIS 225 Ca 0.02 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1nr1 h HIS 225 Cb 0.05 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1nr1 h HIS 225 CO -0.82 0.26 0.38 0.78 0.86 0.00 0.00 177.93 179.38 1nr1 h GLY 226 N 0.71 0.67 0.33 2.45 0.00 0.23 0.22 103.07 107.68 1nr1 h GLY 226 Ca 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1nr1 h GLY 226 CO -0.32 0.17 -0.11 -2.22 0.00 0.00 0.00 176.54 174.06 1nr1 h ILE 227 N 0.54 0.52 -0.03 2.60 1.08 0.15 -3.30 117.51 119.07 1nr1 h ILE 227 Ca 0.25 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1nr1 h ILE 227 Cb 0.28 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1nr1 h ILE 227 CO -0.07 0.14 -0.02 1.21 -0.69 0.00 0.00 178.15 178.72 1nr1 n GLU 228 N -4.97 -0.02 -0.46 2.37 2.13 0.43 -0.07 120.64 120.05 1nr1 n GLU 228 Ca -0.07 0.79 0.38 0.00 0.66 0.00 0.00 57.16 58.92 1nr1 n GLU 228 Cb 0.23 -1.19 0.66 0.00 0.27 0.00 0.00 31.44 31.42 1nr1 n GLU 228 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nr1 h ASN 229 N 0.00 0.22 0.16 4.31 2.35 -0.74 0.43 115.58 122.31 1nr1 h ASN 229 Ca 0.01 0.12 -0.34 0.00 -0.55 0.00 0.00 56.30 55.53 1nr1 h ASN 229 Cb 0.01 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1nr1 h ASN 229 CO -0.03 -0.15 -1.77 -0.26 -1.65 0.00 0.00 177.43 173.57 1nr1 h PHE 230 N 0.08 0.60 -0.03 1.19 -1.00 -0.65 -3.30 116.94 113.84 1nr1 h PHE 230 Ca 0.82 -0.44 0.03 0.00 2.81 0.00 0.00 57.97 61.18 1nr1 h PHE 230 Cb 2.64 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 42.14 1nr1 h PHE 230 CO -0.00 1.69 -0.14 0.82 -1.61 0.00 0.00 178.31 179.07 1nr1 h ILE 231 N 0.02 0.65 0.00 -0.55 2.04 0.15 -1.99 117.51 117.83 1nr1 h ILE 231 Ca -0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1nr1 h ILE 231 Cb 2.02 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1nr1 h ILE 231 CO 0.13 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.87 1nr1 n ASN 232 N -5.27 0.00 -4.75 1.72 4.13 -0.24 -4.65 115.26 106.21 1nr1 n ASN 232 Ca -0.05 -0.89 -0.38 0.00 1.68 0.00 0.00 54.58 54.94 1nr1 n ASN 232 Cb 0.19 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 1nr1 n ASN 232 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1nr1 s GLU 233 N -2.00 4.28 0.00 3.52 2.56 -0.75 -5.00 118.70 121.31 1nr1 s GLU 233 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1nr1 s GLU 233 Cb 0.05 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1nr1 s GLU 233 CO 0.09 0.28 0.37 0.00 -0.56 0.00 0.00 175.26 175.44 1nr1 n ALA 234 N 3.17 -0.07 -0.11 6.30 0.00 -1.26 -2.85 120.51 125.69 1nr1 n ALA 234 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1nr1 n ALA 234 Cb 0.52 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.15 1nr1 n ALA 234 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 235 N -0.83 0.09 -0.08 0.00 7.64 -1.26 0.43 113.62 119.61 1nr1 n SER 235 Ca 0.00 0.58 -0.13 0.00 1.01 0.00 0.00 58.87 60.33 1nr1 n SER 235 Cb 0.00 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1nr1 n SER 235 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1nr1 h TYR 236 N 0.00 0.00 0.00 1.43 -1.99 -1.89 -3.29 116.97 111.23 1nr1 h TYR 236 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1nr1 h TYR 236 Cb 0.73 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1nr1 h TYR 236 CO -0.04 0.92 0.09 -1.33 -0.00 0.00 0.00 178.16 177.80 1nr1 n MET 237 N -4.59 0.12 0.08 4.88 2.81 0.17 -0.86 117.12 119.72 1nr1 n MET 237 Ca -0.14 0.61 0.08 0.00 -1.81 0.00 0.00 57.70 56.44 1nr1 n MET 237 Cb 0.45 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.96 1nr1 n MET 237 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nr1 n SER 238 N -2.15 0.80 -0.02 7.83 7.64 -0.53 0.25 113.62 127.43 1nr1 n SER 238 Ca -0.01 0.32 0.14 0.00 1.01 0.00 0.00 58.87 60.33 1nr1 n SER 238 Cb 0.11 0.47 0.67 0.00 -1.01 0.00 0.00 64.21 64.45 1nr1 n SER 238 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nr1 n ILE 239 N -2.71 0.00 0.19 0.44 2.08 -0.04 -2.86 119.36 116.46 1nr1 n ILE 239 Ca -0.03 -0.01 0.02 0.00 0.56 0.00 0.00 62.75 63.29 1nr1 n ILE 239 Cb 0.63 -0.38 -0.03 0.00 -0.75 0.00 0.00 39.64 39.12 1nr1 n ILE 239 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1nr1 n LEU 240 N -1.28 0.19 -0.69 1.39 4.77 -1.17 -4.99 117.00 115.21 1nr1 n LEU 240 Ca 0.12 -0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1nr1 n LEU 240 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1nr1 n LEU 240 CO 0.25 0.05 -0.08 0.61 -1.33 0.00 0.00 177.39 176.89 1nr1 n GLY 241 N 1.19 0.35 0.00 -0.72 0.00 -0.75 -5.03 105.19 100.23 1nr1 n GLY 241 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1nr1 n GLY 241 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nr1 n MET 242 N -2.01 2.85 -4.14 1.61 2.00 0.69 -4.60 117.12 113.51 1nr1 n MET 242 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.33 1nr1 n MET 242 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.62 1nr1 n MET 242 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nr1 n THR 243 N 0.00 -1.94 -0.17 2.03 5.66 -1.26 -4.76 114.28 113.85 1nr1 n THR 243 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1nr1 n THR 243 Cb 0.00 -1.86 0.00 0.00 -1.55 0.00 0.00 70.33 66.92 1nr1 n THR 243 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1nr1 n PRO 244 N -4.44 -0.27 0.00 1.09 -0.02 -1.26 -4.97 135.00 125.13 1nr1 n PRO 244 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1nr1 n PRO 244 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 1nr1 n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nr1 n GLY 245 N 1.57 0.77 0.00 -1.23 0.00 -1.26 -4.35 105.19 100.69 1nr1 n GLY 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nr1 n GLY 245 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nr1 n PHE 246 N -0.02 0.00 0.57 1.61 7.35 -1.26 -4.76 117.46 120.94 1nr1 n PHE 246 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1nr1 n PHE 246 Cb 0.18 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.96 1nr1 n PHE 246 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nr1 n GLY 247 N 0.00 -0.12 0.00 7.13 0.00 -1.26 -4.95 105.19 105.99 1nr1 n GLY 247 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1nr1 n GLY 247 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nr1 n ASP 248 N -0.83 0.00 -3.60 1.61 4.64 -1.26 -4.14 116.55 112.97 1nr1 n ASP 248 Ca 0.04 0.00 -0.18 0.00 -1.38 0.00 0.00 54.79 53.27 1nr1 n ASP 248 Cb 0.22 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.16 1nr1 n ASP 248 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nr1 s LYS 249 N 0.00 0.10 -0.15 -0.67 1.02 -1.26 -4.43 119.74 114.35 1nr1 s LYS 249 Ca 0.00 0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.35 1nr1 s LYS 249 Cb 0.00 -0.71 0.08 0.00 -0.52 0.00 0.00 37.83 36.68 1nr1 s LYS 249 CO 0.00 -0.46 0.29 0.99 -0.92 0.00 0.00 175.35 175.25 1nr1 s THR 250 N 2.31 -0.45 0.19 2.17 2.01 -1.26 -1.35 115.64 119.26 1nr1 s THR 250 Ca 0.04 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.31 1nr1 s THR 250 Cb -0.14 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1nr1 s THR 250 CO -0.09 0.06 -0.14 0.72 -0.69 0.00 0.00 174.62 174.48 1nr1 s PHE 251 N 2.44 1.64 -0.08 4.92 -0.71 0.68 -0.47 117.98 126.40 1nr1 s PHE 251 Ca 0.02 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.37 1nr1 s PHE 251 Cb -0.13 -0.78 0.00 0.00 -1.21 0.00 0.00 43.02 40.91 1nr1 s PHE 251 CO -0.10 0.30 -0.21 0.08 -1.34 0.00 0.00 175.22 173.96 1nr1 s VAL 252 N -2.87 1.79 -0.26 -2.49 1.01 -0.40 -1.41 120.40 115.78 1nr1 s VAL 252 Ca 0.20 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1nr1 s VAL 252 Cb -0.01 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1nr1 s VAL 252 CO 0.06 0.50 -0.04 0.54 0.00 0.00 0.00 175.10 176.16 1nr1 s VAL 253 N 0.36 3.00 -0.89 2.92 0.11 -0.81 -0.53 120.40 124.55 1nr1 s VAL 253 Ca -0.16 -1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 57.69 1nr1 s VAL 253 Cb -0.17 -2.55 0.17 0.00 -1.53 0.00 0.00 36.38 32.30 1nr1 s VAL 253 CO 0.07 0.15 0.98 -1.58 -3.33 0.00 0.00 175.10 171.39 1nr1 s GLN 254 N 1.33 3.62 0.00 1.54 0.74 -0.36 -2.01 119.66 124.52 1nr1 s GLN 254 Ca -0.00 -2.08 0.00 0.00 0.05 0.00 0.00 55.36 53.32 1nr1 s GLN 254 Cb -0.17 -4.71 0.00 0.00 1.10 0.00 0.00 33.01 29.23 1nr1 s GLN 254 CO -0.03 -1.56 0.00 0.41 -0.55 0.00 0.00 175.29 173.55 1nr1 n GLY 255 N 4.81 4.27 2.47 2.59 0.00 -1.24 -0.76 105.19 117.32 1nr1 n GLY 255 Ca 0.20 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 1nr1 n GLY 255 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nr1 n PHE 256 N -1.00 1.54 -0.61 1.61 -0.00 -1.26 -4.42 117.46 113.32 1nr1 n PHE 256 Ca 0.00 -3.67 0.00 0.00 -0.00 0.00 0.00 57.45 53.78 1nr1 n PHE 256 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.07 1nr1 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 257 N 0.04 1.72 0.30 7.13 0.00 -1.26 -4.70 105.19 108.42 1nr1 n GLY 257 Ca 0.25 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1nr1 n GLY 257 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1nr1 h ASN 258 N 0.00 -0.63 0.02 1.61 -1.24 -1.96 -2.71 115.58 110.66 1nr1 h ASN 258 Ca 0.00 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.06 1nr1 h ASN 258 Cb 0.00 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 1nr1 h ASN 258 CO 0.00 -0.38 -0.27 1.62 -1.29 0.00 0.00 177.43 177.11 1nr1 h VAL 259 N -0.89 0.40 -0.86 2.57 3.04 -1.92 -2.55 116.25 116.05 1nr1 h VAL 259 Ca -0.08 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1nr1 h VAL 259 Cb 0.57 0.40 -0.05 0.00 -2.01 0.00 0.00 31.29 30.20 1nr1 h VAL 259 CO 0.13 0.00 0.55 1.23 -1.01 0.00 0.00 177.57 178.47 1nr1 h GLY 260 N -0.42 1.26 0.00 3.17 0.00 -1.79 0.13 103.07 105.43 1nr1 h GLY 260 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1nr1 h GLY 260 CO -0.22 0.35 0.00 -0.10 0.00 0.00 0.00 176.54 176.57 1nr1 n LEU 261 N -4.55 0.00 -0.39 3.11 7.94 -1.02 -1.80 117.00 120.29 1nr1 n LEU 261 Ca 0.11 0.55 0.31 0.00 -1.11 0.00 0.00 56.01 55.87 1nr1 n LEU 261 Cb 0.10 -0.05 0.59 0.00 0.53 0.00 0.00 43.42 44.59 1nr1 n LEU 261 CO 0.33 -0.05 1.21 0.45 -1.11 0.00 0.00 177.39 178.23 1nr1 h HIS 262 N 0.00 0.62 -0.30 1.96 3.86 -1.47 1.16 115.15 120.97 1nr1 h HIS 262 Ca 0.00 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1nr1 h HIS 262 Cb 0.00 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1nr1 h HIS 262 CO 0.01 -0.13 0.21 1.03 0.86 0.00 0.00 177.93 179.91 1nr1 h SER 263 N 0.20 0.10 0.20 2.45 0.87 -0.53 -0.86 113.55 115.98 1nr1 h SER 263 Ca 0.74 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 61.01 1nr1 h SER 263 Cb 2.13 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 64.10 1nr1 h SER 263 CO -0.41 0.06 -1.33 -0.03 -0.53 0.00 0.00 176.83 174.59 1nr1 h MET 264 N 0.11 0.42 -0.04 2.24 -1.53 0.22 -3.02 114.93 113.33 1nr1 h MET 264 Ca 0.14 -0.72 0.01 0.00 -3.44 0.00 0.00 59.70 55.68 1nr1 h MET 264 Cb 0.40 0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 31.71 1nr1 h MET 264 CO -0.02 1.34 -0.06 0.00 0.14 0.00 0.00 176.91 178.32 1nr1 h ARG 265 N -0.06 -0.04 -0.14 0.39 2.47 -0.40 -0.73 114.38 115.88 1nr1 h ARG 265 Ca -0.25 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.52 1nr1 h ARG 265 Cb 1.97 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 30.24 1nr1 h ARG 265 CO 0.20 -0.02 -0.20 1.88 0.56 0.00 0.00 179.97 182.39 1nr1 h TYR 266 N -0.04 -0.52 -0.54 3.04 0.05 -1.48 -0.35 116.97 117.12 1nr1 h TYR 266 Ca 0.01 0.03 0.11 0.00 0.05 0.00 0.00 58.73 58.92 1nr1 h TYR 266 Cb 0.06 0.25 -0.11 0.00 1.01 0.00 0.00 36.73 37.94 1nr1 h TYR 266 CO -0.62 -0.28 -0.23 -0.07 -1.05 0.00 0.00 178.16 175.91 1nr1 h LEU 267 N -0.25 -0.81 0.00 3.88 -0.00 -1.43 -2.50 115.31 114.21 1nr1 h LEU 267 Ca 0.10 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1nr1 h LEU 267 Cb 0.40 0.45 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1nr1 h LEU 267 CO -0.29 -0.25 0.00 1.57 -0.00 0.00 0.00 178.44 179.47 1nr1 n HIS 268 N -5.42 0.00 -0.52 1.13 -0.00 -0.29 -2.50 115.22 107.62 1nr1 n HIS 268 Ca 0.05 0.00 0.39 0.00 0.46 0.00 0.00 57.72 58.62 1nr1 n HIS 268 Cb 0.33 -0.36 0.61 0.00 -0.12 0.00 0.00 29.99 30.45 1nr1 n HIS 268 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1nr1 n ARG 269 N -1.87 -0.00 -2.73 1.57 0.63 -0.20 -0.77 116.66 113.30 1nr1 n ARG 269 Ca 0.00 0.83 -0.34 0.00 -0.92 0.00 0.00 57.85 57.41 1nr1 n ARG 269 Cb 0.00 -1.88 -0.01 0.00 0.45 0.00 0.00 32.46 31.02 1nr1 n ARG 269 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1nr1 n PHE 270 N -3.51 3.38 -3.69 -0.14 3.72 -0.96 -4.95 117.46 111.31 1nr1 n PHE 270 Ca 0.33 -3.20 -0.30 0.00 -0.05 0.00 0.00 57.45 54.23 1nr1 n PHE 270 Cb 1.49 -0.84 0.03 0.00 -0.94 0.00 0.00 39.48 39.23 1nr1 n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nr1 n GLY 271 N -0.19 -1.04 2.96 1.37 0.00 0.05 -4.95 105.19 103.39 1nr1 n GLY 271 Ca 0.40 0.46 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 1nr1 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 272 N -3.37 -0.21 -0.26 4.61 0.00 -1.20 -4.65 121.76 116.69 1nr1 s ALA 272 Ca 0.38 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 1nr1 s ALA 272 Cb -0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1nr1 s ALA 272 CO 0.87 -0.04 0.36 0.21 0.00 0.00 0.00 175.76 177.15 1nr1 s LYS 273 N 0.09 4.04 -0.64 0.00 2.20 -0.46 -4.29 119.74 120.68 1nr1 s LYS 273 Ca -0.00 0.03 -0.24 0.00 -0.36 0.00 0.00 55.97 55.40 1nr1 s LYS 273 Cb -0.01 -3.63 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1nr1 s LYS 273 CO -0.00 -0.23 1.03 0.00 -0.36 0.00 0.00 175.35 175.79 1nr1 h ILE 275 N 6.01 1.32 -2.49 0.00 2.10 -1.49 -1.12 117.51 121.84 1nr1 h ILE 275 Ca -0.28 -2.67 -0.08 0.00 1.08 0.00 0.00 64.86 62.91 1nr1 h ILE 275 Cb 1.07 2.88 -0.25 0.00 -1.09 0.00 0.00 36.82 39.42 1nr1 h ILE 275 CO 1.17 0.80 -0.23 0.00 -1.08 0.00 0.00 178.15 178.81 1nr1 s ALA 276 N -2.78 -1.24 -0.13 0.18 0.00 -1.24 -2.34 121.76 114.21 1nr1 s ALA 276 Ca -0.08 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1nr1 s ALA 276 Cb 0.05 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1nr1 s ALA 276 CO 0.93 -0.32 -0.18 0.08 0.00 0.00 0.00 175.76 176.27 1nr1 s VAL 277 N 1.52 2.53 0.08 0.00 1.01 -1.20 -1.92 120.40 122.43 1nr1 s VAL 277 Ca -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1nr1 s VAL 277 Cb -0.08 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1nr1 s VAL 277 CO -0.14 0.53 0.11 0.61 0.00 0.00 0.00 175.10 176.21 1nr1 n GLY 278 N 3.75 1.99 0.04 4.51 0.00 -0.85 -1.06 105.19 113.56 1nr1 n GLY 278 Ca -0.19 -2.15 -0.00 0.00 0.00 0.00 0.00 46.02 43.69 1nr1 n GLY 278 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nr1 n GLU 279 N -1.15 0.01 0.00 1.61 -0.58 -1.11 -3.60 120.64 115.81 1nr1 n GLU 279 Ca 0.02 -0.02 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1nr1 n GLU 279 Cb 0.08 0.03 0.60 0.00 -0.57 0.00 0.00 31.44 31.58 1nr1 n GLU 279 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1nr1 n SER 280 N -0.82 0.06 0.00 1.62 3.41 -1.26 -4.64 113.62 111.99 1nr1 n SER 280 Ca -0.00 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1nr1 n SER 280 Cb 0.01 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1nr1 n SER 280 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nr1 n ASP 281 N -1.47 0.00 -1.67 4.04 8.00 -1.26 -5.13 116.55 119.06 1nr1 n ASP 281 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1nr1 n ASP 281 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1nr1 n ASP 281 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nr1 n GLY 282 N 5.00 1.06 3.32 0.44 0.00 -1.26 -5.13 105.19 108.61 1nr1 n GLY 282 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1nr1 n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nr1 s SER 283 N -1.00 0.46 0.13 1.61 0.01 -1.25 -2.77 113.70 110.89 1nr1 s SER 283 Ca 0.00 -1.38 0.06 0.00 1.31 0.00 0.00 55.95 55.94 1nr1 s SER 283 Cb 0.00 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 1nr1 s SER 283 CO 0.00 -0.99 -0.15 -0.63 0.41 0.00 0.00 173.24 171.88 1nr1 s ILE 284 N -3.88 1.40 0.08 1.44 1.01 -0.22 -3.44 121.20 117.59 1nr1 s ILE 284 Ca 0.35 -1.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1nr1 s ILE 284 Cb 0.04 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.98 1nr1 s ILE 284 CO 0.15 -0.39 0.36 0.86 0.00 0.00 0.00 174.94 175.92 1nr1 s TRP 285 N -2.07 -0.16 0.00 3.97 -0.11 -1.08 -3.25 118.94 116.24 1nr1 s TRP 285 Ca 0.09 -0.05 0.00 0.00 1.22 0.00 0.00 56.10 57.36 1nr1 s TRP 285 Cb -0.05 0.17 0.00 0.00 -1.50 0.00 0.00 33.47 32.09 1nr1 s TRP 285 CO 0.03 -0.60 0.00 -1.71 -4.62 0.00 0.00 176.95 170.06 1nr1 n ASN 286 N 0.19 0.00 0.00 5.86 2.85 -0.99 -1.88 115.26 121.30 1nr1 n ASN 286 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1nr1 n ASN 286 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 1nr1 n ASN 286 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nr1 n PRO 287 N 0.00 0.00 0.02 1.20 -0.02 -1.26 -1.14 135.00 133.80 1nr1 n PRO 287 Ca 0.00 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1nr1 n PRO 287 Cb 0.00 -1.51 0.18 0.00 -0.02 0.00 0.00 33.50 32.15 1nr1 n PRO 287 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nr1 n ASP 288 N -1.43 0.59 0.00 2.55 9.92 -1.26 -4.98 116.55 121.94 1nr1 n ASP 288 Ca 0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1nr1 n ASP 288 Cb 0.01 0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1nr1 n ASP 288 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nr1 n GLY 289 N 1.43 2.53 3.64 0.44 0.00 -0.29 -4.99 105.19 107.95 1nr1 n GLY 289 Ca 0.04 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1nr1 n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nr1 s ILE 290 N -1.03 4.76 -0.12 -0.61 1.01 -0.42 -4.97 121.20 119.82 1nr1 s ILE 290 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1nr1 s ILE 290 Cb 0.00 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1nr1 s ILE 290 CO 0.00 0.47 0.85 -0.62 0.00 0.00 0.00 174.94 175.65 1nr1 s ASP 291 N 0.27 7.06 0.18 3.58 2.15 -1.26 -4.56 116.67 124.09 1nr1 s ASP 291 Ca 0.03 1.30 -0.13 0.00 0.43 0.00 0.00 52.55 54.19 1nr1 s ASP 291 Cb -0.12 -2.48 0.14 0.00 -0.30 0.00 0.00 42.92 40.16 1nr1 s ASP 291 CO 0.00 -0.33 1.79 -0.65 -0.17 0.00 0.00 175.17 175.81 1nr1 h PRO 292 N 7.11 0.52 0.63 4.34 0.11 -1.95 -0.85 132.00 141.91 1nr1 h PRO 292 Ca -0.33 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1nr1 h PRO 292 Cb 1.16 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nr1 h PRO 292 CO 0.81 0.34 -0.35 -0.22 -0.21 0.00 0.00 178.00 178.37 1nr1 h LYS 293 N 0.53 -0.88 0.19 1.05 1.63 -1.98 0.15 116.57 117.26 1nr1 h LYS 293 Ca 0.23 0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1nr1 h LYS 293 Cb 0.13 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1nr1 h LYS 293 CO -0.15 -0.59 -0.29 0.93 -3.45 0.00 0.00 179.45 175.90 1nr1 h GLU 294 N -0.91 -0.49 -0.88 1.90 5.08 -1.96 0.23 114.58 117.55 1nr1 h GLU 294 Ca -0.08 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1nr1 h GLU 294 Cb 0.73 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 1nr1 h GLU 294 CO 0.10 -0.33 0.58 1.25 -1.00 0.00 0.00 179.01 179.62 1nr1 h LEU 295 N -0.51 0.43 0.75 1.33 5.85 -1.18 0.31 115.31 122.29 1nr1 h LEU 295 Ca -0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1nr1 h LEU 295 Cb 0.47 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1nr1 h LEU 295 CO -0.09 0.18 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.75 1nr1 h GLU 296 N 0.43 -0.98 -0.65 1.25 4.81 0.14 0.13 114.58 119.71 1nr1 h GLU 296 Ca 0.45 0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.90 1nr1 h GLU 296 Cb 1.08 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1nr1 h GLU 296 CO -0.17 -0.65 0.44 -0.44 -0.73 0.00 0.00 179.01 177.46 1nr1 h ASP 297 N -1.07 0.23 0.63 1.04 3.32 0.56 -0.28 116.42 120.85 1nr1 h ASP 297 Ca -0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1nr1 h ASP 297 Cb 0.78 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.30 1nr1 h ASP 297 CO 0.17 0.12 -0.30 0.15 -1.72 0.00 0.00 179.24 177.66 1nr1 h PHE 298 N 0.25 -0.78 -0.83 4.55 3.57 -0.15 0.10 116.94 123.65 1nr1 h PHE 298 Ca 0.31 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.97 1nr1 h PHE 298 Cb 0.88 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 1nr1 h PHE 298 CO -0.00 -0.44 0.55 -0.22 -2.23 0.00 0.00 178.31 175.97 1nr1 h LYS 299 N -1.12 0.38 0.00 1.11 1.63 0.42 -2.90 116.57 116.09 1nr1 h LYS 299 Ca -0.09 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1nr1 h LYS 299 Cb 0.69 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1nr1 h LYS 299 CO 0.14 0.25 -0.06 1.25 -3.45 0.00 0.00 179.45 177.58 1nr1 h LEU 300 N 0.40 0.00 -0.96 5.20 7.12 -1.02 -3.36 115.31 122.69 1nr1 h LEU 300 Ca 0.42 -0.04 0.34 0.00 0.13 0.00 0.00 57.88 58.73 1nr1 h LEU 300 Cb 1.03 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.05 1nr1 h LEU 300 CO -0.14 0.55 0.60 1.67 -0.13 0.00 0.00 178.44 180.99 1nr1 n GLN 301 N -4.75 -0.03 -3.62 1.25 7.27 0.35 -4.49 117.38 113.36 1nr1 n GLN 301 Ca -0.01 0.95 -0.12 0.00 0.07 0.00 0.00 57.00 57.88 1nr1 n GLN 301 Cb 0.05 -1.83 -0.07 0.00 2.41 0.00 0.00 30.24 30.81 1nr1 n GLN 301 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1nr1 s HIS 302 N -4.88 -0.60 0.00 3.69 -3.43 -1.10 -5.10 115.29 103.87 1nr1 s HIS 302 Ca -0.06 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 1nr1 s HIS 302 Cb 0.23 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1nr1 s HIS 302 CO 0.60 -0.34 0.00 0.41 -2.00 0.00 0.00 174.74 173.41 1nr1 n GLY 303 N 2.10 0.03 0.00 -1.38 0.00 -1.26 -4.49 105.19 100.19 1nr1 n GLY 303 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nr1 n GLY 303 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nr1 n SER 304 N 0.12 1.54 -0.59 1.61 2.88 -1.26 -4.79 113.62 113.12 1nr1 n SER 304 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1nr1 n SER 304 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1nr1 n SER 304 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1nr1 n ILE 305 N 0.00 0.00 -1.69 2.46 -5.35 -1.26 -3.95 119.36 109.57 1nr1 n ILE 305 Ca 0.00 -0.31 -0.44 0.00 -0.27 0.00 0.00 62.75 61.74 1nr1 n ILE 305 Cb 0.00 1.23 -0.03 0.00 -1.74 0.00 0.00 39.64 39.09 1nr1 n ILE 305 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nr1 n LEU 306 N 0.28 3.83 -1.43 7.28 4.32 -1.26 -2.44 117.00 127.58 1nr1 n LEU 306 Ca 0.11 1.00 -0.04 0.00 -0.02 0.00 0.00 56.01 57.06 1nr1 n LEU 306 Cb 0.49 -1.51 0.02 0.00 -1.62 0.00 0.00 43.42 40.80 1nr1 n LEU 306 CO 0.24 0.08 0.03 0.61 -1.22 0.00 0.00 177.39 177.14 1nr1 n GLY 307 N 4.12 0.36 3.60 -0.72 0.00 -1.26 -4.99 105.19 106.30 1nr1 n GLY 307 Ca 0.18 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1nr1 n GLY 307 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nr1 s PHE 308 N -3.08 3.02 -0.18 1.61 5.36 -1.02 -4.97 117.98 118.72 1nr1 s PHE 308 Ca 0.03 0.76 -0.28 0.00 -0.96 0.00 0.00 56.93 56.48 1nr1 s PHE 308 Cb -0.01 -3.84 -0.05 0.00 -0.34 0.00 0.00 43.02 38.78 1nr1 s PHE 308 CO 0.16 -0.94 2.11 -2.14 -1.46 0.00 0.00 175.22 172.95 1nr1 s PRO 309 N 3.71 3.36 0.00 10.12 0.02 -1.26 -0.95 135.00 149.99 1nr1 s PRO 309 Ca 0.41 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1nr1 s PRO 309 Cb -0.11 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 30.11 1nr1 s PRO 309 CO 0.22 -1.85 0.00 1.63 -0.33 0.00 0.00 177.00 176.67 1nr1 n LYS 310 N 8.46 0.00 -3.66 5.54 5.02 -1.26 -5.08 118.16 127.19 1nr1 n LYS 310 Ca 0.27 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.50 1nr1 n LYS 310 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.38 1nr1 n LYS 310 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nr1 s ALA 311 N -2.00 -1.58 -0.32 7.82 0.00 -0.13 -4.86 121.76 120.70 1nr1 s ALA 311 Ca 0.00 1.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.72 1nr1 s ALA 311 Cb 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 1nr1 s ALA 311 CO 0.00 -0.68 0.67 0.21 0.00 0.00 0.00 175.76 175.96 1nr1 s LYS 312 N 2.36 3.86 -0.67 0.00 2.47 -0.79 -4.43 119.74 122.55 1nr1 s LYS 312 Ca -0.06 0.31 -0.34 0.00 -1.56 0.00 0.00 55.97 54.32 1nr1 s LYS 312 Cb -0.10 -3.75 -0.17 0.00 -1.46 0.00 0.00 37.83 32.36 1nr1 s LYS 312 CO -0.16 -0.64 2.42 -2.30 0.16 0.00 0.00 175.35 174.83 1nr1 n PRO 313 N 6.00 0.41 -3.06 4.03 -0.02 -1.26 -2.64 135.00 138.45 1nr1 n PRO 313 Ca 0.00 0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 1nr1 n PRO 313 Cb 0.49 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1nr1 n PRO 313 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nr1 s TYR 314 N 8.52 3.60 -0.02 6.00 5.04 -1.22 -4.94 117.35 134.34 1nr1 s TYR 314 Ca 1.21 1.41 -0.01 0.00 -2.44 0.00 0.00 57.07 57.24 1nr1 s TYR 314 Cb -1.04 -2.64 0.02 0.00 0.35 0.00 0.00 41.96 38.64 1nr1 s TYR 314 CO 0.49 0.28 0.04 -2.00 -1.34 0.00 0.00 175.55 173.02 1nr1 s GLU 315 N -2.16 0.01 0.00 4.97 2.56 -1.26 -3.81 118.70 119.01 1nr1 s GLU 315 Ca 0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.97 55.57 1nr1 s GLU 315 Cb -0.16 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 35.86 1nr1 s GLU 315 CO 0.21 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.23 1nr1 n GLY 316 N 3.65 0.35 1.57 -1.50 0.00 -1.26 -5.00 105.19 103.00 1nr1 n GLY 316 Ca -0.20 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1nr1 n GLY 316 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nr1 n SER 317 N 0.00 -3.82 -0.30 1.61 3.41 -1.26 -4.53 113.62 108.73 1nr1 n SER 317 Ca 0.00 0.46 0.35 0.00 -0.26 0.00 0.00 58.87 59.42 1nr1 n SER 317 Cb 0.00 -0.78 0.66 0.00 -0.26 0.00 0.00 64.21 63.84 1nr1 n SER 317 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1nr1 h ILE 318 N 3.46 0.17 0.00 -1.33 -0.00 -1.95 0.27 117.51 118.13 1nr1 h ILE 318 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1nr1 h ILE 318 Cb 0.04 0.22 0.00 0.00 -0.00 0.00 0.00 36.82 37.08 1nr1 h ILE 318 CO 0.00 0.00 0.08 0.18 -0.00 0.00 0.00 178.15 178.41 1nr1 n LEU 319 N -3.72 0.37 -0.10 0.16 4.32 -1.26 -0.73 117.00 116.04 1nr1 n LEU 319 Ca 0.26 0.64 -0.23 0.00 -0.02 0.00 0.00 56.01 56.66 1nr1 n LEU 319 Cb 1.41 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 42.44 1nr1 n LEU 319 CO 0.33 -0.76 -0.72 -0.62 -1.22 0.00 0.00 177.39 174.40 1nr1 n GLU 320 N -2.01 0.60 0.00 3.23 4.71 0.97 -4.27 120.64 123.87 1nr1 n GLU 320 Ca -0.01 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1nr1 n GLU 320 Cb 0.11 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 1nr1 n GLU 320 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nr1 n ALA 321 N -3.49 -0.78 -2.56 0.62 0.00 0.09 -2.26 120.51 112.14 1nr1 n ALA 321 Ca -0.36 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1nr1 n ALA 321 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 1nr1 n ALA 321 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nr1 s ASP 322 N 0.00 6.46 0.35 0.00 2.15 -1.26 -4.01 116.67 120.37 1nr1 s ASP 322 Ca 0.00 0.03 -0.14 0.00 0.43 0.00 0.00 52.55 52.87 1nr1 s ASP 322 Cb 0.00 -2.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1nr1 s ASP 322 CO 0.00 -0.98 0.70 0.00 -0.17 0.00 0.00 175.17 174.72 1nr1 n ASP 324 N -1.21 1.75 -3.84 0.00 9.92 0.38 -2.95 116.55 120.60 1nr1 n ASP 324 Ca -0.05 0.20 -0.29 0.00 -0.53 0.00 0.00 54.79 54.12 1nr1 n ASP 324 Cb 0.60 -0.55 -0.16 0.00 -0.64 0.00 0.00 41.12 40.37 1nr1 n ASP 324 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1nr1 s ILE 325 N -2.56 1.02 -0.37 0.53 -4.36 -0.94 -1.20 121.20 113.31 1nr1 s ILE 325 Ca -0.20 -0.86 -0.14 0.00 -0.26 0.00 0.00 60.65 59.20 1nr1 s ILE 325 Cb 0.07 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.39 1nr1 s ILE 325 CO 0.76 -0.13 0.26 -0.22 0.24 0.00 0.00 174.94 175.85 1nr1 s LEU 326 N 1.63 4.78 -0.49 0.37 1.98 0.84 -1.27 118.68 126.53 1nr1 s LEU 326 Ca -0.03 -0.69 -0.12 0.00 -2.89 0.00 0.00 54.13 50.41 1nr1 s LEU 326 Cb -0.18 -2.13 0.12 0.00 0.66 0.00 0.00 46.19 44.66 1nr1 s LEU 326 CO -0.07 -0.34 0.39 0.27 -1.89 0.00 0.00 176.35 174.71 1nr1 s ILE 327 N 1.69 4.57 -1.02 6.68 -0.00 0.31 -1.79 121.20 131.63 1nr1 s ILE 327 Ca 0.05 -1.65 -0.23 0.00 -0.00 0.00 0.00 60.65 58.82 1nr1 s ILE 327 Cb -0.18 -3.96 -0.03 0.00 -0.00 0.00 0.00 42.46 38.29 1nr1 s ILE 327 CO 0.10 -0.79 1.82 -2.84 -0.00 0.00 0.00 174.94 173.24 1nr1 s PRO 328 N 1.45 2.88 -0.92 0.37 0.02 -1.21 -1.23 135.00 136.36 1nr1 s PRO 328 Ca 0.05 -0.79 -0.01 0.00 0.02 0.00 0.00 61.00 60.26 1nr1 s PRO 328 Cb -0.27 -5.20 0.34 0.00 0.02 0.00 0.00 34.50 29.38 1nr1 s PRO 328 CO 0.01 -3.17 1.85 0.00 -0.33 0.00 0.00 177.00 175.36 1nr1 n ALA 329 N 12.53 6.17 0.00 -1.55 0.00 0.06 -3.77 120.51 133.95 1nr1 n ALA 329 Ca 0.40 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1nr1 n ALA 329 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1nr1 n ALA 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nr1 n ALA 330 N -0.28 0.00 -1.82 0.00 0.00 -1.18 -4.41 120.51 112.82 1nr1 n ALA 330 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1nr1 n ALA 330 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1nr1 n ALA 330 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nr1 n SER 331 N 0.00 -1.79 -4.51 0.00 7.64 -1.26 -4.91 113.62 108.79 1nr1 n SER 331 Ca 0.00 1.12 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 1nr1 n SER 331 Cb 0.00 -2.21 0.18 0.00 -1.01 0.00 0.00 64.21 61.17 1nr1 n SER 331 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1nr1 n GLU 332 N 1.77 -1.07 -1.01 1.43 2.13 -1.26 -4.17 120.64 118.45 1nr1 n GLU 332 Ca 0.00 -0.27 -0.01 0.00 0.66 0.00 0.00 57.16 57.54 1nr1 n GLU 332 Cb 0.00 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1nr1 n GLU 332 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1nr1 n LYS 333 N -3.59 -0.05 -0.12 5.31 2.85 0.12 -4.88 118.16 117.81 1nr1 n LYS 333 Ca 0.07 0.03 -0.24 0.00 -1.05 0.00 0.00 58.31 57.13 1nr1 n LYS 333 Cb 0.54 -0.05 -0.09 0.00 -0.65 0.00 0.00 35.03 34.78 1nr1 n LYS 333 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1nr1 n GLN 334 N 0.05 0.57 -2.56 -1.58 -0.06 0.47 -4.78 117.38 109.48 1nr1 n GLN 334 Ca -0.00 0.38 -0.41 0.00 -2.00 0.00 0.00 57.00 54.97 1nr1 n GLN 334 Cb 0.02 -1.58 -0.03 0.00 -4.06 0.00 0.00 30.24 24.58 1nr1 n GLN 334 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1nr1 s LEU 335 N -7.71 3.43 0.00 1.69 1.43 -1.13 -4.93 118.68 111.46 1nr1 s LEU 335 Ca -0.33 -1.17 0.08 0.00 -1.03 0.00 0.00 54.13 51.68 1nr1 s LEU 335 Cb 0.10 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.84 1nr1 s LEU 335 CO 0.50 -1.60 0.65 0.35 0.23 0.00 0.00 176.35 176.49 1nr1 n THR 336 N 6.72 0.00 0.06 5.49 -2.24 -1.26 -2.99 114.28 120.05 1nr1 n THR 336 Ca 0.24 -2.08 0.21 0.00 -2.27 0.00 0.00 64.05 60.15 1nr1 n THR 336 Cb 0.50 -0.30 0.74 0.00 -2.10 0.00 0.00 70.33 69.18 1nr1 n THR 336 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nr1 h LYS 337 N 0.00 0.00 0.00 -0.78 3.64 -1.90 0.26 116.57 117.79 1nr1 h LYS 337 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1nr1 h LYS 337 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1nr1 h LYS 337 CO 0.46 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 178.09 1nr1 n SER 338 N -3.90 0.00 -0.91 4.20 2.88 -1.26 -3.83 113.62 110.80 1nr1 n SER 338 Ca 0.08 0.86 0.10 0.00 -1.33 0.00 0.00 58.87 58.58 1nr1 n SER 338 Cb 0.62 -0.36 0.26 0.00 -0.75 0.00 0.00 64.21 63.99 1nr1 n SER 338 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nr1 n ASN 339 N -1.64 2.68 -0.18 -3.46 2.04 -1.10 -4.30 115.26 109.30 1nr1 n ASN 339 Ca 0.00 -1.92 -0.07 0.00 -0.44 0.00 0.00 54.58 52.15 1nr1 n ASN 339 Cb 0.00 -0.26 0.03 0.00 -2.53 0.00 0.00 39.78 37.01 1nr1 n ASN 339 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nr1 h ALA 340 N 4.12 0.68 0.00 -2.53 0.00 -0.59 -1.72 119.26 119.23 1nr1 h ALA 340 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1nr1 h ALA 340 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nr1 h ALA 340 CO 0.00 0.13 -0.26 -1.35 0.00 0.00 0.00 179.25 177.77 1nr1 h PRO 341 N 0.73 0.00 -2.45 0.00 0.11 -1.75 -3.26 132.00 125.39 1nr1 h PRO 341 Ca 0.20 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.52 1nr1 h PRO 341 Cb -0.08 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.74 1nr1 h PRO 341 CO -0.04 0.26 0.76 -2.13 -0.21 0.00 0.00 178.00 176.63 1nr1 n ARG 342 N -4.17 4.86 -4.78 1.05 0.63 -0.65 -4.94 116.66 108.66 1nr1 n ARG 342 Ca -0.02 -4.65 -0.27 0.00 -0.92 0.00 0.00 57.85 51.99 1nr1 n ARG 342 Cb 0.31 -2.45 -0.17 0.00 0.45 0.00 0.00 32.46 30.60 1nr1 n ARG 342 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1nr1 s VAL 343 N -3.81 1.41 -0.05 5.15 -7.23 -1.21 -4.46 120.40 110.20 1nr1 s VAL 343 Ca 0.37 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1nr1 s VAL 343 Cb 0.15 -1.26 -0.25 0.00 0.56 0.00 0.00 36.38 35.58 1nr1 s VAL 343 CO -0.05 0.42 0.65 0.11 -0.31 0.00 0.00 175.10 175.91 1nr1 h LYS 344 N 6.86 0.16 -6.79 4.82 1.79 -1.59 -3.47 116.57 118.35 1nr1 h LYS 344 Ca -0.28 -0.27 -0.53 0.00 -2.18 0.00 0.00 60.65 57.39 1nr1 h LYS 344 Cb 1.20 0.10 0.08 0.00 -1.58 0.00 0.00 32.23 32.03 1nr1 h LYS 344 CO 0.47 0.92 0.88 0.00 -1.08 0.00 0.00 179.45 180.65 1nr1 s ALA 345 N -2.59 3.75 -2.08 3.86 0.00 -1.15 -4.68 121.76 118.86 1nr1 s ALA 345 Ca -0.11 1.55 0.15 0.00 0.00 0.00 0.00 51.96 53.55 1nr1 s ALA 345 Cb 0.07 -3.64 0.73 0.00 0.00 0.00 0.00 23.12 20.28 1nr1 s ALA 345 CO 0.82 -0.96 1.50 1.63 0.00 0.00 0.00 175.76 178.74 1nr1 n LYS 346 N 2.29 1.30 -3.57 0.00 4.76 -0.59 -4.72 118.16 117.63 1nr1 n LYS 346 Ca 0.08 -0.46 -0.08 0.00 -2.87 0.00 0.00 58.31 54.99 1nr1 n LYS 346 Cb 0.37 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.21 1nr1 n LYS 346 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nr1 s ILE 347 N -1.89 -0.67 -0.44 -0.18 1.01 -0.34 -2.87 121.20 115.82 1nr1 s ILE 347 Ca 0.24 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 1nr1 s ILE 347 Cb 0.12 -0.73 0.10 0.00 0.01 0.00 0.00 42.46 41.96 1nr1 s ILE 347 CO 0.19 0.02 0.29 -0.63 0.00 0.00 0.00 174.94 174.81 1nr1 s ILE 348 N 2.62 4.13 -0.49 2.92 1.01 0.13 -0.11 121.20 131.40 1nr1 s ILE 348 Ca 0.02 -1.64 -0.19 0.00 0.00 0.00 0.00 60.65 58.84 1nr1 s ILE 348 Cb -0.13 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.75 1nr1 s ILE 348 CO -0.14 -0.65 0.60 0.00 0.00 0.00 0.00 174.94 174.75 1nr1 s ALA 349 N 1.37 3.39 -1.05 9.38 0.00 -0.74 0.03 121.76 134.14 1nr1 s ALA 349 Ca 0.05 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 50.11 1nr1 s ALA 349 Cb -0.24 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1nr1 s ALA 349 CO 0.00 -1.93 1.55 -1.21 0.00 0.00 0.00 175.76 174.17 1nr1 s GLU 350 N 2.57 3.51 -0.53 0.00 2.02 -0.57 -3.35 118.70 122.35 1nr1 s GLU 350 Ca 0.15 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 1nr1 s GLU 350 Cb -0.19 -5.35 0.30 0.00 0.10 0.00 0.00 34.13 28.99 1nr1 s GLU 350 CO 0.13 -2.38 2.13 0.41 0.02 0.00 0.00 175.26 175.57 1nr1 n GLY 351 N 6.65 4.96 3.64 -1.39 0.00 -1.26 -3.90 105.19 113.89 1nr1 n GLY 351 Ca 0.36 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 1nr1 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 352 N -2.81 -2.18 0.12 4.61 0.00 -1.25 -4.49 121.76 115.77 1nr1 s ALA 352 Ca 0.50 1.91 -0.33 0.00 0.00 0.00 0.00 51.96 54.04 1nr1 s ALA 352 Cb 0.38 -1.64 -0.12 0.00 0.00 0.00 0.00 23.12 21.74 1nr1 s ALA 352 CO -0.08 -0.23 1.75 0.09 0.00 0.00 0.00 175.76 177.28 1nr1 n ASN 353 N 2.47 3.68 -3.79 0.00 3.02 -1.26 -3.52 115.26 115.87 1nr1 n ASN 353 Ca -0.14 1.03 -0.23 0.00 -0.03 0.00 0.00 54.58 55.21 1nr1 n ASN 353 Cb 0.57 -1.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.26 1nr1 n ASN 353 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nr1 n GLY 354 N 3.97 -0.30 0.13 7.41 0.00 -1.26 -4.66 105.19 110.48 1nr1 n GLY 354 Ca 0.18 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 1nr1 n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nr1 h PRO 355 N -1.88 0.00 -6.12 1.61 0.13 -1.85 0.34 132.00 124.23 1nr1 h PRO 355 Ca -0.61 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.84 1nr1 h PRO 355 Cb 1.36 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.33 1nr1 h PRO 355 CO 0.59 0.66 -0.67 0.95 -0.23 0.00 0.00 178.00 179.30 1nr1 s THR 356 N -3.45 3.93 0.30 1.56 -4.23 -1.26 0.18 115.64 112.66 1nr1 s THR 356 Ca -0.01 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 1nr1 s THR 356 Cb 0.12 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.22 1nr1 s THR 356 CO 0.77 0.54 0.71 0.42 -0.54 0.00 0.00 174.62 176.52 1nr1 s THR 357 N -0.90 4.69 0.22 3.99 -4.23 -1.16 -4.87 115.64 113.38 1nr1 s THR 357 Ca 0.14 0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 61.44 1nr1 s THR 357 Cb -0.11 -3.64 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1nr1 s THR 357 CO 0.04 -0.12 1.58 -0.65 -0.54 0.00 0.00 174.62 174.93 1nr1 h PRO 358 N 2.44 -0.05 -0.53 3.99 0.11 -1.99 0.13 132.00 136.09 1nr1 h PRO 358 Ca -0.48 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1nr1 h PRO 358 Cb 1.18 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1nr1 h PRO 358 CO 0.66 -0.04 0.10 0.93 -0.21 0.00 0.00 178.00 179.44 1nr1 h GLU 359 N -0.05 0.22 0.31 1.05 4.39 -1.96 -1.03 114.58 117.52 1nr1 h GLU 359 Ca 0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1nr1 h GLU 359 Cb 0.59 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1nr1 h GLU 359 CO -0.83 0.15 -0.48 0.00 -1.16 0.00 0.00 179.01 176.69 1nr1 h ALA 360 N 1.42 -0.99 -0.75 3.43 0.00 -1.08 -1.50 119.26 119.79 1nr1 h ALA 360 Ca 0.27 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1nr1 h ALA 360 Cb 0.38 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1nr1 h ALA 360 CO -0.36 -1.11 -0.33 -0.25 0.00 0.00 0.00 179.25 177.20 1nr1 n ASP 361 N -5.52 -0.56 -0.11 0.00 8.00 -0.41 0.20 116.55 118.15 1nr1 n ASP 361 Ca -0.10 1.32 -0.07 0.00 0.71 0.00 0.00 54.79 56.65 1nr1 n ASP 361 Cb 0.43 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1nr1 n ASP 361 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nr1 h LYS 362 N 0.00 -0.17 -0.37 -1.24 1.57 -0.36 0.14 116.57 116.14 1nr1 h LYS 362 Ca 0.23 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1nr1 h LYS 362 Cb 0.42 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1nr1 h LYS 362 CO -0.74 -0.11 -0.44 0.82 -0.57 0.00 0.00 179.45 178.41 1nr1 h ILE 363 N -0.18 0.00 -0.97 1.86 5.03 0.26 -0.45 117.51 123.06 1nr1 h ILE 363 Ca 0.05 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 65.05 1nr1 h ILE 363 Cb 0.31 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 33.97 1nr1 h ILE 363 CO -0.37 0.00 0.52 -0.26 -0.68 0.00 0.00 178.15 177.36 1nr1 h PHE 364 N -0.28 0.87 0.56 1.37 0.04 -0.81 0.18 116.94 118.87 1nr1 h PHE 364 Ca 0.06 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1nr1 h PHE 364 Cb 0.45 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1nr1 h PHE 364 CO -0.73 -0.03 -0.35 1.25 -0.60 0.00 0.00 178.31 177.85 1nr1 h LEU 365 N 0.46 -0.88 -0.61 1.54 6.46 0.74 0.64 115.31 123.67 1nr1 h LEU 365 Ca 0.64 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.55 1nr1 h LEU 365 Cb 1.27 0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 41.35 1nr1 h LEU 365 CO -0.53 -0.53 -0.37 -0.33 -0.62 0.00 0.00 178.44 176.06 1nr1 h GLU 366 N -0.85 -0.17 -2.28 1.25 3.07 0.66 -0.98 114.58 115.28 1nr1 h GLU 366 Ca -0.08 0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 58.19 1nr1 h GLU 366 Cb 0.68 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.48 1nr1 h GLU 366 CO 0.08 -0.11 1.29 2.89 -1.40 0.00 0.00 179.01 181.75 1nr1 n ARG 367 N -5.43 3.40 -1.30 2.33 1.85 0.37 -4.89 116.66 112.98 1nr1 n ARG 367 Ca 0.04 -2.84 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 1nr1 n ARG 367 Cb 0.36 -2.36 0.00 0.00 -1.05 0.00 0.00 32.46 29.41 1nr1 n ARG 367 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nr1 n ASN 368 N 1.27 0.00 -4.40 2.89 5.03 -0.37 -4.86 115.26 114.81 1nr1 n ASN 368 Ca 0.55 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.67 1nr1 n ASN 368 Cb 0.42 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.04 1nr1 n ASN 368 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nr1 s ILE 369 N -1.04 3.02 -0.13 2.41 -1.09 0.22 -4.88 121.20 119.71 1nr1 s ILE 369 Ca 0.00 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 1nr1 s ILE 369 Cb 0.00 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 1nr1 s ILE 369 CO 0.00 0.55 0.39 -0.32 -1.23 0.00 0.00 174.94 174.32 1nr1 s MET 370 N -0.03 4.26 -0.19 2.79 -2.45 -1.14 -4.32 119.30 118.23 1nr1 s MET 370 Ca -0.03 0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.70 1nr1 s MET 370 Cb -0.14 -3.41 0.03 0.00 1.25 0.00 0.00 34.83 32.55 1nr1 s MET 370 CO 0.04 0.24 -0.16 0.08 1.05 0.00 0.00 175.02 176.27 1nr1 s VAL 371 N 0.41 1.91 -0.27 10.11 1.01 -1.26 0.17 120.40 132.48 1nr1 s VAL 371 Ca 0.21 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1nr1 s VAL 371 Cb -0.14 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1nr1 s VAL 371 CO 0.07 0.39 1.30 -0.63 0.00 0.00 0.00 175.10 176.24 1nr1 s ILE 372 N 1.32 4.16 -0.12 2.22 1.09 0.10 -4.36 121.20 125.62 1nr1 s ILE 372 Ca 0.02 1.33 -0.30 0.00 -1.10 0.00 0.00 60.65 60.60 1nr1 s ILE 372 Cb -0.14 -4.12 -0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1nr1 s ILE 372 CO -0.11 -0.41 1.23 -2.16 -0.10 0.00 0.00 174.94 173.40 1nr1 s PRO 373 N 4.06 4.28 0.07 2.79 0.05 -1.26 -1.51 135.00 143.48 1nr1 s PRO 373 Ca 0.56 1.66 -0.13 0.00 0.05 0.00 0.00 61.00 63.15 1nr1 s PRO 373 Cb -0.18 -3.68 -0.02 0.00 0.05 0.00 0.00 34.50 30.68 1nr1 s PRO 373 CO 0.22 -0.60 0.65 -0.40 0.05 0.00 0.00 177.00 176.92 1nr1 n ASP 374 N 6.02 -0.44 -0.18 6.66 3.85 -1.25 0.19 116.55 131.40 1nr1 n ASP 374 Ca 0.13 0.75 0.18 0.00 -0.71 0.00 0.00 54.79 55.14 1nr1 n ASP 374 Cb 0.45 -0.10 0.32 0.00 -1.35 0.00 0.00 41.12 40.44 1nr1 n ASP 374 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1nr1 n LEU 375 N -4.54 0.17 -0.10 -2.12 7.94 -1.26 -1.47 117.00 115.62 1nr1 n LEU 375 Ca 0.01 0.84 -0.21 0.00 -1.11 0.00 0.00 56.01 55.54 1nr1 n LEU 375 Cb 0.12 -0.41 -0.07 0.00 0.53 0.00 0.00 43.42 43.59 1nr1 n LEU 375 CO -0.07 -0.93 -1.15 0.00 -1.11 0.00 0.00 177.39 174.13 1nr1 n TYR 376 N -4.08 0.00 -0.27 1.96 4.19 0.51 -4.47 117.16 114.99 1nr1 n TYR 376 Ca 0.20 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.51 1nr1 n TYR 376 Cb 0.70 -0.74 0.35 0.00 0.49 0.00 0.00 39.34 40.15 1nr1 n TYR 376 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nr1 h LEU 377 N -0.81 0.71 -2.65 2.98 5.85 -0.27 -1.93 115.31 119.20 1nr1 h LEU 377 Ca -0.47 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1nr1 h LEU 377 Cb 1.38 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1nr1 h LEU 377 CO -0.29 0.38 0.00 -0.46 -0.34 0.00 0.00 178.44 177.73 1nr1 n ASN 378 N -4.56 3.86 -0.14 1.25 2.04 -0.94 -2.90 115.26 113.87 1nr1 n ASN 378 Ca 0.17 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.31 1nr1 n ASN 378 Cb 0.41 -0.46 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 1nr1 n ASN 378 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nr1 n ALA 379 N 1.63 1.79 0.11 -2.53 0.00 -0.72 -3.31 120.51 117.47 1nr1 n ALA 379 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1nr1 n ALA 379 Cb 0.62 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.17 1nr1 n ALA 379 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nr1 h GLY 380 N 2.34 0.11 0.68 0.00 0.00 -1.81 -2.08 103.07 102.30 1nr1 h GLY 380 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1nr1 h GLY 380 CO 0.00 0.14 -0.33 -1.33 0.00 0.00 0.00 176.54 175.02 1nr1 h GLY 381 N 1.86 0.36 0.51 4.60 0.00 -1.82 -1.13 103.07 107.47 1nr1 h GLY 381 Ca -0.01 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1nr1 h GLY 381 CO 0.10 0.46 -0.03 -2.08 0.00 0.00 0.00 176.54 174.99 1nr1 h VAL 382 N -0.17 0.76 -0.04 4.60 2.07 -1.80 0.26 116.25 121.92 1nr1 h VAL 382 Ca -0.02 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1nr1 h VAL 382 Cb 0.99 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1nr1 h VAL 382 CO 0.07 0.01 -0.44 0.74 0.02 0.00 0.00 177.57 177.96 1nr1 h THR 383 N 0.04 0.00 -0.81 2.57 2.02 -1.30 -1.74 112.91 113.69 1nr1 h THR 383 Ca 0.13 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.41 1nr1 h THR 383 Cb 0.19 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.54 1nr1 h THR 383 CO -0.25 0.00 0.53 0.58 0.37 0.00 0.00 175.52 176.75 1nr1 h VAL 384 N -0.53 0.95 -0.20 3.16 2.07 -0.96 -2.14 116.25 118.60 1nr1 h VAL 384 Ca 0.02 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1nr1 h VAL 384 Cb 0.58 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1nr1 h VAL 384 CO -0.32 0.14 -0.08 0.77 0.02 0.00 0.00 177.57 178.10 1nr1 h SER 385 N 0.75 -0.28 -0.76 0.57 4.64 -0.09 0.45 113.55 118.83 1nr1 h SER 385 Ca 0.37 0.07 0.16 0.00 -0.47 0.00 0.00 61.79 61.92 1nr1 h SER 385 Cb 0.44 0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.55 1nr1 h SER 385 CO -0.14 -0.11 -0.15 0.22 -0.87 0.00 0.00 176.83 175.77 1nr1 h TYR 386 N -0.05 -0.34 -0.45 4.77 -0.00 -0.75 0.73 116.97 120.89 1nr1 h TYR 386 Ca 0.11 0.07 0.05 0.00 -0.00 0.00 0.00 58.73 58.95 1nr1 h TYR 386 Cb 0.21 0.27 -0.04 0.00 -0.00 0.00 0.00 36.73 37.17 1nr1 h TYR 386 CO -0.25 -0.32 0.19 0.74 -0.00 0.00 0.00 178.16 178.53 1nr1 h PHE 387 N 0.02 0.35 0.05 -3.82 0.05 -0.81 0.57 116.94 113.34 1nr1 h PHE 387 Ca 0.38 0.02 0.01 0.00 3.82 0.00 0.00 57.97 62.20 1nr1 h PHE 387 Cb 0.60 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.44 1nr1 h PHE 387 CO -0.57 0.15 -0.13 1.49 -0.18 0.00 0.00 178.31 179.07 1nr1 h GLU 388 N 0.39 -0.23 -0.54 1.51 4.81 0.22 0.46 114.58 121.19 1nr1 h GLU 388 Ca 0.20 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1nr1 h GLU 388 Cb 0.16 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1nr1 h GLU 388 CO -0.18 -0.15 0.18 2.35 -0.73 0.00 0.00 179.01 180.48 1nr1 h TRP 389 N -0.24 0.30 -0.76 0.92 7.01 0.31 0.19 115.95 123.68 1nr1 h TRP 389 Ca 0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1nr1 h TRP 389 Cb 0.27 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 1nr1 h TRP 389 CO -0.16 0.07 0.39 -0.07 -2.79 0.00 0.00 178.44 175.88 1nr1 h LEU 390 N 0.34 0.96 -0.04 0.65 3.38 0.11 -1.79 115.31 118.92 1nr1 h LEU 390 Ca 0.27 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1nr1 h LEU 390 Cb 0.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1nr1 h LEU 390 CO -0.29 0.79 -0.06 0.50 0.09 0.00 0.00 178.44 179.47 1nr1 h LYS 391 N 1.07 -0.08 -0.96 1.13 3.64 0.25 -0.30 116.57 121.32 1nr1 h LYS 391 Ca 0.27 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1nr1 h LYS 391 Cb 0.07 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 1nr1 h LYS 391 CO -0.04 -0.05 0.61 -0.91 -2.27 0.00 0.00 179.45 176.79 1nr1 h ASN 392 N -0.08 0.86 0.02 4.20 2.35 -0.02 -0.72 115.58 122.19 1nr1 h ASN 392 Ca 0.04 0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1nr1 h ASN 392 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1nr1 h ASN 392 CO -0.09 0.47 -0.56 -0.07 -1.65 0.00 0.00 177.43 175.53 1nr1 h LEU 393 N 0.93 0.64 -0.18 1.61 3.38 -0.55 -3.10 115.31 118.04 1nr1 h LEU 393 Ca 0.46 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nr1 h LEU 393 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1nr1 h LEU 393 CO -0.22 1.06 0.00 0.59 0.09 0.00 0.00 178.44 179.96 1nr1 n ASN 394 N -3.96 0.37 -2.74 -0.43 3.02 -0.20 -4.91 115.26 106.42 1nr1 n ASN 394 Ca -0.03 0.56 -0.15 0.00 -0.03 0.00 0.00 54.58 54.93 1nr1 n ASN 394 Cb 0.61 -0.65 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1nr1 n ASN 394 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nr1 n HIS 395 N -1.87 -1.58 -3.54 3.10 8.25 -0.47 -4.91 115.22 114.19 1nr1 n HIS 395 Ca 0.05 0.16 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 1nr1 n HIS 395 Cb 0.29 -2.74 -0.06 0.00 1.12 0.00 0.00 29.99 28.60 1nr1 n HIS 395 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nr1 s VAL 396 N -2.68 0.00 0.20 1.59 1.01 -1.25 -5.12 120.40 114.15 1nr1 s VAL 396 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1nr1 s VAL 396 Cb -0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 1nr1 s VAL 396 CO 0.16 0.00 0.97 -0.94 0.00 0.00 0.00 175.10 175.29 1nr1 s SER 397 N -1.08 7.54 0.53 3.32 1.04 -1.26 -4.85 113.70 118.94 1nr1 s SER 397 Ca -0.08 1.95 -0.21 0.00 0.48 0.00 0.00 55.95 58.08 1nr1 s SER 397 Cb -0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 1nr1 s SER 397 CO 0.08 0.04 1.07 -1.22 0.98 0.00 0.00 173.24 174.19 1nr1 n TYR 398 N 1.89 1.28 0.00 5.02 0.53 -1.26 -2.13 117.16 122.49 1nr1 n TYR 398 Ca -0.00 0.47 0.00 0.00 -1.02 0.00 0.00 57.90 57.35 1nr1 n TYR 398 Cb 0.47 -2.22 0.00 0.00 -1.03 0.00 0.00 39.34 36.56 1nr1 n TYR 398 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nr1 n GLY 399 N 1.13 2.38 0.42 2.72 0.00 -1.26 -4.18 105.19 106.39 1nr1 n GLY 399 Ca 0.11 -0.02 0.34 0.00 0.00 0.00 0.00 46.02 46.45 1nr1 n GLY 399 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nr1 n ARG 400 N 0.00 -0.02 -0.01 1.61 3.00 -0.91 -0.80 116.66 119.54 1nr1 n ARG 400 Ca 0.00 0.89 0.07 0.00 -0.00 0.00 0.00 57.85 58.81 1nr1 n ARG 400 Cb 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 32.46 30.50 1nr1 n ARG 400 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1nr1 n LEU 401 N -3.90 0.03 -0.11 6.15 4.77 -1.26 -4.82 117.00 117.85 1nr1 n LEU 401 Ca 0.31 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 1nr1 n LEU 401 Cb 1.30 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.31 1nr1 n LEU 401 CO 0.21 0.01 -0.99 0.35 -1.33 0.00 0.00 177.39 175.64 1nr1 n THR 402 N -1.96 1.51 -0.03 -5.08 -2.24 0.02 -4.57 114.28 101.94 1nr1 n THR 402 Ca -0.02 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1nr1 n THR 402 Cb 0.36 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.51 1nr1 n THR 402 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nr1 n PHE 403 N -4.37 -0.03 -0.27 4.78 0.99 -0.92 0.19 117.46 117.83 1nr1 n PHE 403 Ca -0.37 0.09 -0.05 0.00 -0.00 0.00 0.00 57.45 57.12 1nr1 n PHE 403 Cb 0.71 -0.30 0.06 0.00 -1.00 0.00 0.00 39.48 38.94 1nr1 n PHE 403 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1nr1 h LYS 404 N 0.00 1.02 0.19 -1.08 1.63 -1.85 0.33 116.57 116.81 1nr1 h LYS 404 Ca 0.01 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1nr1 h LYS 404 Cb 0.03 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.42 1nr1 h LYS 404 CO -0.07 0.74 -0.36 -0.92 -3.45 0.00 0.00 179.45 175.39 1nr1 h TYR 405 N 1.01 -1.00 -0.53 1.91 3.20 0.18 -0.24 116.97 121.50 1nr1 h TYR 405 Ca 0.26 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.25 1nr1 h TYR 405 Cb 0.01 0.41 -0.11 0.00 1.54 0.00 0.00 36.73 38.58 1nr1 h TYR 405 CO -0.01 -0.48 -0.26 1.49 -1.64 0.00 0.00 178.16 177.27 1nr1 h GLU 406 N -0.64 -0.13 0.01 1.82 4.81 0.18 0.34 114.58 120.98 1nr1 h GLU 406 Ca 0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1nr1 h GLU 406 Cb 0.64 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1nr1 h GLU 406 CO -0.17 -0.08 -0.19 -0.09 -0.73 0.00 0.00 179.01 177.75 1nr1 h ARG 407 N -0.13 -0.23 -1.38 1.92 2.43 -0.38 0.11 114.38 116.71 1nr1 h ARG 407 Ca 0.24 0.02 0.40 0.00 -0.81 0.00 0.00 59.98 59.83 1nr1 h ARG 407 Cb 0.51 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 1nr1 h ARG 407 CO -0.61 -0.16 0.95 -0.44 -1.51 0.00 0.00 179.97 178.21 1nr1 h ASP 408 N -0.24 0.13 0.21 -3.80 3.45 -0.15 -1.31 116.42 114.70 1nr1 h ASP 408 Ca 0.00 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1nr1 h ASP 408 Cb 0.26 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1nr1 h ASP 408 CO -0.12 -0.03 -0.10 0.28 -1.57 0.00 0.00 179.24 177.70 1nr1 h SER 409 N 0.08 -0.24 -0.78 6.45 0.02 0.12 -3.06 113.55 116.15 1nr1 h SER 409 Ca 0.71 -0.26 0.17 0.00 -0.84 0.00 0.00 61.79 61.57 1nr1 h SER 409 Cb 2.56 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 65.02 1nr1 h SER 409 CO -0.15 0.28 -0.06 0.78 -1.14 0.00 0.00 176.83 176.54 1nr1 h ASN 410 N -0.92 -0.48 0.08 3.07 -0.26 0.06 0.45 115.58 117.57 1nr1 h ASN 410 Ca -0.03 0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1nr1 h ASN 410 Cb 0.49 0.40 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1nr1 h ASN 410 CO 0.05 -0.22 -0.08 1.88 -1.06 0.00 0.00 177.43 178.00 1nr1 h TYR 411 N 0.06 0.00 -0.03 1.19 0.05 -1.52 -0.61 116.97 116.11 1nr1 h TYR 411 Ca 0.41 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 59.02 1nr1 h TYR 411 Cb 0.71 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1nr1 h TYR 411 CO -0.49 0.08 -0.75 0.45 -1.05 0.00 0.00 178.16 176.40 1nr1 h HIS 412 N 0.00 0.31 0.32 4.88 3.86 -0.07 0.16 115.15 124.61 1nr1 h HIS 412 Ca -0.00 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1nr1 h HIS 412 Cb 0.14 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1nr1 h HIS 412 CO 0.00 0.89 -0.15 -0.07 0.86 0.00 0.00 177.93 179.46 1nr1 h LEU 413 N 0.15 -0.37 -0.90 2.43 -0.00 0.34 -1.73 115.31 115.24 1nr1 h LEU 413 Ca -0.03 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.11 1nr1 h LEU 413 Cb 1.32 0.09 -0.14 0.00 -0.00 0.00 0.00 40.66 41.94 1nr1 h LEU 413 CO 0.12 -0.23 0.33 -0.07 -0.00 0.00 0.00 178.44 178.58 1nr1 h LEU 414 N -0.49 0.17 -0.91 1.67 3.38 -1.23 1.25 115.31 119.14 1nr1 h LEU 414 Ca -0.04 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nr1 h LEU 414 Cb 0.33 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1nr1 h LEU 414 CO 0.07 -0.11 0.00 0.24 0.09 0.00 0.00 178.44 178.73 1nr1 h MET 415 N 0.27 0.00 0.10 1.13 2.86 -0.68 -0.89 114.93 117.73 1nr1 h MET 415 Ca 0.58 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.94 1nr1 h MET 415 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1nr1 h MET 415 CO -0.62 0.00 -1.46 0.77 1.06 0.00 0.00 176.91 176.66 1nr1 h SER 416 N 0.00 0.32 -0.22 1.22 0.02 0.24 -2.53 113.55 112.61 1nr1 h SER 416 Ca 0.00 -0.82 -0.01 0.00 -0.84 0.00 0.00 61.79 60.12 1nr1 h SER 416 Cb 0.39 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1nr1 h SER 416 CO 0.00 1.63 0.12 0.58 -1.14 0.00 0.00 176.83 178.02 1nr1 h VAL 417 N -0.36 1.09 0.24 2.27 2.07 -0.69 1.00 116.25 121.87 1nr1 h VAL 417 Ca -0.33 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1nr1 h VAL 417 Cb 1.72 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1nr1 h VAL 417 CO 0.02 0.10 -0.11 -0.61 0.02 0.00 0.00 177.57 176.99 1nr1 h GLN 418 N 0.34 -0.31 -0.94 1.57 4.15 -1.24 -2.31 115.11 116.36 1nr1 h GLN 418 Ca 0.09 0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.74 1nr1 h GLN 418 Cb 0.04 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.72 1nr1 h GLN 418 CO -0.01 -0.20 0.61 0.93 -1.93 0.00 0.00 178.83 178.22 1nr1 h GLU 419 N -0.47 0.47 0.61 1.69 5.08 -1.30 0.03 114.58 120.70 1nr1 h GLU 419 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1nr1 h GLU 419 Cb 0.24 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nr1 h GLU 419 CO 0.05 0.31 -0.29 0.77 -1.00 0.00 0.00 179.01 178.85 1nr1 h SER 420 N 0.49 -0.69 -0.63 1.42 0.02 -0.83 -3.14 113.55 110.18 1nr1 h SER 420 Ca 0.51 0.02 0.13 0.00 -0.84 0.00 0.00 61.79 61.61 1nr1 h SER 420 Cb 1.14 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.74 1nr1 h SER 420 CO -0.23 -0.49 -0.14 -0.07 -1.14 0.00 0.00 176.83 174.76 1nr1 h LEU 421 N -0.83 -0.54 0.00 5.07 4.07 -0.75 0.35 115.31 122.67 1nr1 h LEU 421 Ca -0.08 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1nr1 h LEU 421 Cb 0.63 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1nr1 h LEU 421 CO 0.14 -0.20 0.00 -0.62 -1.08 0.00 0.00 178.44 176.68 1nr1 n GLU 422 N -5.41 0.00 -0.46 1.13 1.02 -0.08 -0.15 120.64 116.68 1nr1 n GLU 422 Ca 0.08 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.32 1nr1 n GLU 422 Cb 0.33 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.56 1nr1 n GLU 422 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nr1 n ARG 423 N -0.97 3.26 -3.12 3.49 1.74 0.11 -3.67 116.66 117.50 1nr1 n ARG 423 Ca 0.00 -2.68 -0.23 0.00 -0.77 0.00 0.00 57.85 54.17 1nr1 n ARG 423 Cb 0.00 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.70 1nr1 n ARG 423 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nr1 n LYS 424 N 1.04 1.97 0.00 5.56 4.81 0.78 -4.87 118.16 127.45 1nr1 n LYS 424 Ca 0.23 -4.06 0.00 0.00 -0.87 0.00 0.00 58.31 53.60 1nr1 n LYS 424 Cb 0.74 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.88 1nr1 n LYS 424 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nr1 n PHE 425 N 0.27 0.00 -1.55 5.64 -0.00 -1.26 -5.03 117.46 115.54 1nr1 n PHE 425 Ca 0.27 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.50 1nr1 n PHE 425 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.92 1nr1 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 426 N 0.00 -0.09 3.32 7.13 0.00 -1.26 -4.79 105.19 109.50 1nr1 n GLY 426 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 1nr1 n GLY 426 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nr1 s LYS 427 N 8.57 1.69 -0.45 1.61 2.47 -1.24 -5.10 119.74 127.29 1nr1 s LYS 427 Ca 1.00 -1.98 0.05 0.00 -1.56 0.00 0.00 55.97 53.48 1nr1 s LYS 427 Cb -0.26 0.08 0.28 0.00 -1.46 0.00 0.00 37.83 36.47 1nr1 s LYS 427 CO 0.20 -0.56 1.04 -2.39 0.16 0.00 0.00 175.35 173.80 1nr1 n HIS 428 N -0.62 -2.71 0.00 4.03 -0.00 -1.26 -4.92 115.22 109.72 1nr1 n HIS 428 Ca 0.03 -1.70 0.00 0.00 -0.00 0.00 0.00 57.72 56.05 1nr1 n HIS 428 Cb 0.64 1.52 0.00 0.00 -0.00 0.00 0.00 29.99 32.14 1nr1 n HIS 428 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nr1 n GLY 429 N 1.12 0.69 0.00 -1.39 0.00 -1.26 -5.08 105.19 99.28 1nr1 n GLY 429 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nr1 n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr1 n GLY 430 N 0.00 -2.54 3.64 -0.02 0.00 -1.26 -4.58 105.19 100.42 1nr1 n GLY 430 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nr1 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nr1 s THR 431 N -2.60 4.73 -0.34 2.61 2.01 -1.26 -5.02 115.64 115.77 1nr1 s THR 431 Ca 0.00 1.60 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 1nr1 s THR 431 Cb 0.00 -4.22 0.07 0.00 0.01 0.00 0.00 72.50 68.36 1nr1 s THR 431 CO 0.00 -0.21 0.09 0.27 -0.69 0.00 0.00 174.62 174.07 1nr1 s ILE 432 N 3.09 3.27 -0.10 1.82 -4.36 -1.26 -4.84 121.20 118.83 1nr1 s ILE 432 Ca 0.38 -1.53 0.13 0.00 -0.26 0.00 0.00 60.65 59.37 1nr1 s ILE 432 Cb -0.14 -2.99 -0.20 0.00 1.25 0.00 0.00 42.46 40.38 1nr1 s ILE 432 CO 0.10 -0.30 0.33 -0.81 0.24 0.00 0.00 174.94 174.49 1nr1 n PRO 433 N 4.66 0.72 0.00 0.37 -0.05 -1.26 -4.46 135.00 134.98 1nr1 n PRO 433 Ca -0.10 -0.10 0.00 0.00 -0.05 0.00 0.00 63.50 63.25 1nr1 n PRO 433 Cb 0.43 -1.29 0.00 0.00 -0.05 0.00 0.00 33.50 32.59 1nr1 n PRO 433 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1nr1 n ILE 434 N -1.87 0.60 -3.36 0.52 -5.35 -1.26 -4.36 119.36 104.29 1nr1 n ILE 434 Ca -0.02 0.17 -0.39 0.00 -0.27 0.00 0.00 62.75 62.24 1nr1 n ILE 434 Cb 0.33 -1.17 -0.09 0.00 -1.74 0.00 0.00 39.64 36.97 1nr1 n ILE 434 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nr1 s VAL 435 N -2.22 5.15 0.45 7.28 0.11 -1.26 -4.94 120.40 124.96 1nr1 s VAL 435 Ca 0.00 0.57 -0.17 0.00 -2.93 0.00 0.00 61.98 59.45 1nr1 s VAL 435 Cb 0.00 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 1nr1 s VAL 435 CO 0.00 0.12 0.92 -2.84 -3.33 0.00 0.00 175.10 169.97 1nr1 s PRO 436 N 2.12 4.05 0.86 1.54 0.02 -1.26 -5.01 135.00 137.31 1nr1 s PRO 436 Ca 0.16 0.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.00 1nr1 s PRO 436 Cb -0.16 -2.21 0.10 0.00 0.02 0.00 0.00 34.50 32.25 1nr1 s PRO 436 CO 0.10 -0.11 1.08 0.25 -0.33 0.00 0.00 177.00 177.99 1nr1 n THR 437 N -1.06 1.02 0.01 0.99 -2.24 -1.26 -4.63 114.28 107.12 1nr1 n THR 437 Ca 0.06 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1nr1 n THR 437 Cb 0.54 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1nr1 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr1 h ALA 438 N -1.35 -0.62 -0.85 6.98 0.00 -1.98 0.17 119.26 121.60 1nr1 h ALA 438 Ca -0.45 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.57 1nr1 h ALA 438 Cb 1.29 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 19.58 1nr1 h ALA 438 CO 0.43 -0.67 -0.33 0.39 0.00 0.00 0.00 179.25 179.06 1nr1 n GLU 439 N -3.36 -0.20 -0.09 0.00 4.71 -1.26 0.14 120.64 120.58 1nr1 n GLU 439 Ca -0.02 1.31 -0.07 0.00 -0.01 0.00 0.00 57.16 58.37 1nr1 n GLU 439 Cb 0.11 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1nr1 n GLU 439 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1nr1 h PHE 440 N 0.00 0.25 -0.66 -0.32 -0.00 -1.70 -1.73 116.94 112.78 1nr1 h PHE 440 Ca 0.30 0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.36 1nr1 h PHE 440 Cb 0.51 -0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.35 1nr1 h PHE 440 CO -0.75 0.13 0.44 0.37 -0.00 0.00 0.00 178.31 178.50 1nr1 h GLN 441 N 0.30 0.57 0.54 1.11 5.75 0.43 0.17 115.11 123.97 1nr1 h GLN 441 Ca 0.14 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1nr1 h GLN 441 Cb 0.08 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 28.51 1nr1 h GLN 441 CO -0.12 0.38 -0.26 -0.44 -2.65 0.00 0.00 178.83 175.74 1nr1 h ASP 442 N 0.59 -0.62 -0.94 -0.69 3.45 -0.19 -2.06 116.42 115.96 1nr1 h ASP 442 Ca 0.30 0.02 0.10 0.00 0.43 0.00 0.00 57.03 57.87 1nr1 h ASP 442 Cb 0.39 0.16 -0.12 0.00 -0.56 0.00 0.00 39.33 39.20 1nr1 h ASP 442 CO -0.09 -0.40 -0.52 -1.14 -1.57 0.00 0.00 179.24 175.52 1nr1 n ARG 443 N -4.19 -0.38 -0.26 3.56 3.00 -0.73 0.26 116.66 117.92 1nr1 n ARG 443 Ca -0.09 1.42 0.18 0.00 -0.00 0.00 0.00 57.85 59.37 1nr1 n ARG 443 Cb 0.29 -2.09 0.49 0.00 0.00 0.00 0.00 32.46 31.14 1nr1 n ARG 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1nr1 h ILE 444 N 0.00 0.68 0.00 5.15 2.04 -0.67 -0.93 117.51 123.78 1nr1 h ILE 444 Ca 0.18 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1nr1 h ILE 444 Cb 0.42 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1nr1 h ILE 444 CO -0.89 0.08 -0.92 0.28 0.00 0.00 0.00 178.15 176.70 1nr1 h SER 445 N 0.45 0.00 -1.69 1.72 0.02 0.56 -3.35 113.55 111.25 1nr1 h SER 445 Ca 0.48 -0.08 -0.63 0.00 -0.84 0.00 0.00 61.79 60.73 1nr1 h SER 445 Cb 1.14 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.29 1nr1 h SER 445 CO -0.20 0.04 -0.38 0.61 -1.14 0.00 0.00 176.83 175.76 1nr1 n GLY 446 N 1.23 5.89 3.65 -3.77 0.00 0.44 -4.99 105.19 107.63 1nr1 n GLY 446 Ca 0.01 -2.72 -0.40 0.00 0.00 0.00 0.00 46.02 42.91 1nr1 n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr1 s ALA 447 N -3.64 3.58 0.23 4.61 0.00 -0.87 -4.82 121.76 120.85 1nr1 s ALA 447 Ca 0.49 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 1nr1 s ALA 447 Cb 0.39 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1nr1 s ALA 447 CO -0.22 -0.68 0.57 -1.54 0.00 0.00 0.00 175.76 173.89 1nr1 s SER 448 N 1.32 -0.24 0.34 0.00 1.04 -1.26 -5.07 113.70 109.82 1nr1 s SER 448 Ca 0.28 -0.58 0.11 0.00 0.48 0.00 0.00 55.95 56.24 1nr1 s SER 448 Cb -0.16 0.62 0.90 0.00 0.10 0.00 0.00 66.02 67.49 1nr1 s SER 448 CO 0.09 -1.14 1.76 -0.08 0.98 0.00 0.00 173.24 174.85 1nr1 h GLU 449 N 2.15 0.57 -0.61 4.02 4.81 -1.95 -2.15 114.58 121.42 1nr1 h GLU 449 Ca -0.26 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1nr1 h GLU 449 Cb 1.26 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1nr1 h GLU 449 CO 0.33 0.38 0.27 1.57 -0.73 0.00 0.00 179.01 180.83 1nr1 h LYS 450 N 0.59 0.48 -0.95 1.92 2.10 -1.94 -1.81 116.57 116.95 1nr1 h LYS 450 Ca 0.60 -0.03 0.13 0.00 -2.00 0.00 0.00 60.65 59.35 1nr1 h LYS 450 Cb 1.18 -0.11 -0.14 0.00 -0.90 0.00 0.00 32.23 32.26 1nr1 h LYS 450 CO -0.38 0.32 -0.46 -0.44 -2.00 0.00 0.00 179.45 176.49 1nr1 h ASP 451 N 0.50 -1.67 0.45 7.07 3.32 -1.74 0.33 116.42 124.67 1nr1 h ASP 451 Ca 0.30 0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.64 1nr1 h ASP 451 Cb 0.30 0.81 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1nr1 h ASP 451 CO -0.25 -0.28 -0.32 0.40 -1.72 0.00 0.00 179.24 177.07 1nr1 h ILE 452 N -0.02 0.34 -0.66 0.35 5.03 -1.46 -1.62 117.51 119.47 1nr1 h ILE 452 Ca 0.27 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 65.11 1nr1 h ILE 452 Cb 0.53 0.34 -0.12 0.00 -3.03 0.00 0.00 36.82 34.55 1nr1 h ILE 452 CO -0.94 0.00 -0.41 0.58 -0.68 0.00 0.00 178.15 176.69 1nr1 h VAL 453 N -0.75 0.09 -0.21 1.67 2.07 -0.09 0.16 116.25 119.19 1nr1 h VAL 453 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1nr1 h VAL 453 Cb 0.63 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1nr1 h VAL 453 CO 0.02 0.00 -0.13 0.45 0.02 0.00 0.00 177.57 177.93 1nr1 h HIS 454 N -0.17 -0.32 -0.12 1.57 3.86 -0.45 0.11 115.15 119.62 1nr1 h HIS 454 Ca 0.21 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.49 1nr1 h HIS 454 Cb 0.56 0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 1nr1 h HIS 454 CO -0.73 -0.20 -0.21 0.77 0.86 0.00 0.00 177.93 178.42 1nr1 h SER 455 N -0.12 -0.64 -0.67 2.45 0.02 -0.10 0.16 113.55 114.65 1nr1 h SER 455 Ca 0.12 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.29 1nr1 h SER 455 Cb 0.30 0.29 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 1nr1 h SER 455 CO -0.28 -0.26 0.26 1.23 -1.14 0.00 0.00 176.83 176.64 1nr1 h GLY 456 N -0.27 0.97 0.78 -3.77 0.00 -0.08 0.45 103.07 101.14 1nr1 h GLY 456 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1nr1 h GLY 456 CO -0.28 -0.04 -0.47 -2.00 0.00 0.00 0.00 176.54 173.75 1nr1 h LEU 457 N 0.44 -1.19 -0.50 3.11 6.46 0.04 -1.10 115.31 122.55 1nr1 h LEU 457 Ca 0.35 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 58.27 1nr1 h LEU 457 Cb 0.46 0.36 -0.10 0.00 -0.73 0.00 0.00 40.66 40.64 1nr1 h LEU 457 CO -0.34 -0.70 -0.34 0.00 -0.62 0.00 0.00 178.44 176.44 1nr1 h ALA 458 N -0.98 -0.12 -0.31 1.25 0.00 0.14 -0.29 119.26 118.95 1nr1 h ALA 458 Ca -0.09 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1nr1 h ALA 458 Cb 0.91 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 1nr1 h ALA 458 CO 0.07 -0.71 -0.28 -0.92 0.00 0.00 0.00 179.25 177.41 1nr1 h TYR 459 N -0.21 -0.77 0.24 0.00 5.03 0.15 0.49 116.97 121.90 1nr1 h TYR 459 Ca 0.20 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 1nr1 h TYR 459 Cb 0.55 0.39 0.00 0.00 1.55 0.00 0.00 36.73 39.21 1nr1 h TYR 459 CO -0.60 -0.35 -0.12 1.15 -1.32 0.00 0.00 178.16 176.92 1nr1 h THR 460 N -0.26 0.81 -0.71 1.81 2.02 -0.05 -1.29 112.91 115.24 1nr1 h THR 460 Ca 0.15 -0.30 0.15 0.00 0.77 0.00 0.00 66.41 67.18 1nr1 h THR 460 Cb 0.51 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 67.80 1nr1 h THR 460 CO -0.46 0.07 0.18 0.24 0.37 0.00 0.00 175.52 175.92 1nr1 h MET 461 N -0.47 0.27 0.00 6.66 2.86 -0.89 0.44 114.93 123.80 1nr1 h MET 461 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1nr1 h MET 461 Cb 0.36 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1nr1 h MET 461 CO 0.05 0.18 0.00 -1.91 1.06 0.00 0.00 176.91 176.29 1nr1 n GLU 462 N -5.14 0.00 -0.32 1.72 2.13 0.14 -0.84 120.64 118.34 1nr1 n GLU 462 Ca 0.13 0.34 0.30 0.00 0.66 0.00 0.00 57.16 58.60 1nr1 n GLU 462 Cb 0.43 -1.17 0.56 0.00 0.27 0.00 0.00 31.44 31.53 1nr1 n GLU 462 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nr1 n ALA 463 N -1.24 0.98 0.10 4.31 0.00 -0.51 0.72 120.51 124.87 1nr1 n ALA 463 Ca 0.00 1.01 -0.05 0.00 0.00 0.00 0.00 53.44 54.41 1nr1 n ALA 463 Cb 0.00 -0.99 0.09 0.00 0.00 0.00 0.00 19.45 18.55 1nr1 n ALA 463 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nr1 h SER 464 N 0.00 0.15 0.42 0.00 0.02 0.07 -1.37 113.55 112.83 1nr1 h SER 464 Ca 0.82 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.65 1nr1 h SER 464 Cb 2.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.65 1nr1 h SER 464 CO -0.77 0.80 -0.20 0.00 -1.14 0.00 0.00 176.83 175.51 1nr1 h ALA 465 N 1.20 -0.56 -0.23 3.77 0.00 0.23 0.25 119.26 123.92 1nr1 h ALA 465 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1nr1 h ALA 465 Cb 1.24 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1nr1 h ALA 465 CO 0.10 -0.78 -0.24 0.00 0.00 0.00 0.00 179.25 178.33 1nr1 h ARG 466 N -0.64 -0.24 -0.59 0.00 2.47 -1.39 0.13 114.38 114.11 1nr1 h ARG 466 Ca -0.06 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.80 1nr1 h ARG 466 Cb 0.48 0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 1nr1 h ARG 466 CO 0.09 -0.16 0.05 1.96 0.56 0.00 0.00 179.97 182.47 1nr1 h GLN 467 N -0.25 0.16 0.15 0.04 4.20 -0.91 0.33 115.11 118.83 1nr1 h GLN 467 Ca 0.13 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1nr1 h GLN 467 Cb 0.46 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1nr1 h GLN 467 CO -0.38 0.11 -0.17 0.82 -0.67 0.00 0.00 178.83 178.54 1nr1 h ILE 468 N 0.17 0.61 0.08 2.54 1.08 0.87 -2.03 117.51 120.83 1nr1 h ILE 468 Ca 0.31 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.79 1nr1 h ILE 468 Cb 0.49 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1nr1 h ILE 468 CO -0.46 0.00 -0.32 0.24 -0.69 0.00 0.00 178.15 176.91 1nr1 h MET 469 N -0.36 -0.44 -1.17 2.37 2.86 0.84 -0.69 114.93 118.33 1nr1 h MET 469 Ca 0.01 0.03 0.38 0.00 -2.06 0.00 0.00 59.70 58.06 1nr1 h MET 469 Cb 0.35 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 31.98 1nr1 h MET 469 CO -0.06 -0.30 0.73 -0.09 1.06 0.00 0.00 176.91 178.25 1nr1 h ARG 470 N -0.46 0.19 -0.11 1.72 2.43 -0.35 0.27 114.38 118.06 1nr1 h ARG 470 Ca -0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1nr1 h ARG 470 Cb 0.46 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nr1 h ARG 470 CO -0.17 0.12 -0.37 1.15 -1.51 0.00 0.00 179.97 179.19 1nr1 h THR 471 N 0.19 1.38 -0.76 0.20 2.02 -0.59 -1.19 112.91 114.17 1nr1 h THR 471 Ca 0.76 -1.70 0.12 0.00 0.77 0.00 0.00 66.41 66.36 1nr1 h THR 471 Cb 2.14 2.16 -0.08 0.00 -1.74 0.00 0.00 68.15 70.62 1nr1 h THR 471 CO -0.47 0.50 0.37 0.00 0.37 0.00 0.00 175.52 176.30 1nr1 h ALA 472 N 0.49 1.08 -1.79 6.16 0.00 0.96 0.12 119.26 126.28 1nr1 h ALA 472 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nr1 h ALA 472 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nr1 h ALA 472 CO 0.08 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 1nr1 n MET 473 N -4.89 0.00 -0.06 0.00 2.00 -0.52 0.03 117.12 113.69 1nr1 n MET 473 Ca 0.13 0.20 0.06 0.00 0.00 0.00 0.00 57.70 58.09 1nr1 n MET 473 Cb 0.34 -1.17 0.10 0.00 0.00 0.00 0.00 33.22 32.49 1nr1 n MET 473 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1nr1 n LYS 474 N -1.10 -0.01 0.00 0.03 4.81 -0.45 0.42 118.16 121.85 1nr1 n LYS 474 Ca 0.00 0.24 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 1nr1 n LYS 474 Cb 0.00 -0.43 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 1nr1 n LYS 474 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nr1 n TYR 475 N -3.35 0.00 -2.96 5.64 4.01 0.37 -5.02 117.16 115.86 1nr1 n TYR 475 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 1nr1 n TYR 475 Cb 0.23 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 1nr1 n TYR 475 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nr1 n ASN 476 N -0.45 -3.78 -4.93 7.72 4.13 1.41 -5.06 115.26 114.30 1nr1 n ASN 476 Ca 0.06 -0.25 -0.25 0.00 1.68 0.00 0.00 54.58 55.82 1nr1 n ASN 476 Cb 0.30 -2.54 -0.02 0.00 -1.54 0.00 0.00 39.78 35.98 1nr1 n ASN 476 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1nr1 s LEU 477 N -3.85 4.06 0.00 3.41 1.43 0.10 -5.01 118.68 118.83 1nr1 s LEU 477 Ca 0.24 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1nr1 s LEU 477 Cb -0.10 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1nr1 s LEU 477 CO 0.33 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1nr1 n GLY 478 N -1.44 1.28 1.69 -3.19 0.00 -1.26 -4.57 105.19 97.70 1nr1 n GLY 478 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1nr1 n GLY 478 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nr1 n LEU 479 N 0.00 5.40 -1.76 0.99 4.32 -1.26 -4.67 117.00 120.02 1nr1 n LEU 479 Ca 0.00 -3.86 -0.15 0.00 -0.02 0.00 0.00 56.01 51.99 1nr1 n LEU 479 Cb 0.00 -0.72 0.07 0.00 -1.62 0.00 0.00 43.42 41.15 1nr1 n LEU 479 CO 0.00 1.28 1.05 -0.67 -1.22 0.00 0.00 177.39 177.83 1nr1 n ASP 480 N -1.09 4.73 -0.06 -1.43 2.03 -1.26 -4.01 116.55 115.46 1nr1 n ASP 480 Ca 0.46 -2.95 0.02 0.00 0.52 0.00 0.00 54.79 52.83 1nr1 n ASP 480 Cb 1.20 -0.83 0.04 0.00 -0.72 0.00 0.00 41.12 40.81 1nr1 n ASP 480 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nr1 n LEU 481 N -0.10 -0.04 0.01 -2.67 4.32 -1.26 -0.64 117.00 116.62 1nr1 n LEU 481 Ca 0.32 0.29 -0.11 0.00 -0.02 0.00 0.00 56.01 56.49 1nr1 n LEU 481 Cb 0.89 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 42.52 1nr1 n LEU 481 CO 0.36 -0.29 0.50 -0.09 -1.22 0.00 0.00 177.39 176.65 1nr1 h ARG 482 N 0.00 -0.42 0.00 3.23 2.43 -1.85 0.28 114.38 118.05 1nr1 h ARG 482 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1nr1 h ARG 482 Cb 0.18 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1nr1 h ARG 482 CO -0.17 -0.28 0.00 0.25 -1.51 0.00 0.00 179.97 178.26 1nr1 n THR 483 N -4.58 0.43 -0.03 0.20 -2.24 0.19 -1.82 114.28 106.43 1nr1 n THR 483 Ca -0.05 0.11 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 1nr1 n THR 483 Cb 0.27 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 1nr1 n THR 483 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nr1 h ALA 484 N 2.90 -0.02 -0.60 6.98 0.00 -1.13 -3.11 119.26 124.28 1nr1 h ALA 484 Ca 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.43 1nr1 h ALA 484 Cb 0.24 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1nr1 h ALA 484 CO 0.00 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.58 1nr1 h ALA 485 N 0.02 0.76 -0.44 0.00 0.00 0.11 0.44 119.26 120.16 1nr1 h ALA 485 Ca -0.05 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1nr1 h ALA 485 Cb 1.22 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1nr1 h ALA 485 CO 0.05 -0.24 0.02 1.88 0.00 0.00 0.00 179.25 180.95 1nr1 h TYR 486 N 0.34 0.82 -0.11 0.00 0.05 -1.50 -1.27 116.97 115.30 1nr1 h TYR 486 Ca 0.31 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.98 1nr1 h TYR 486 Cb 0.42 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1nr1 h TYR 486 CO -0.20 0.81 -0.06 0.28 -1.05 0.00 0.00 178.16 177.93 1nr1 h VAL 487 N 0.60 0.80 -0.50 -2.88 2.07 -1.10 0.37 116.25 115.61 1nr1 h VAL 487 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1nr1 h VAL 487 Cb 0.47 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 1nr1 h VAL 487 CO 0.02 0.00 0.01 -1.13 0.02 0.00 0.00 177.57 176.49 1nr1 h ASN 488 N -0.06 -0.19 0.83 0.57 -1.24 0.13 0.97 115.58 116.59 1nr1 h ASN 488 Ca 0.07 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1nr1 h ASN 488 Cb 0.15 0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.42 1nr1 h ASN 488 CO -0.15 -0.07 -0.40 0.00 -1.29 0.00 0.00 177.43 175.52 1nr1 h ALA 489 N 1.44 -1.30 -1.09 1.57 0.00 -0.50 -2.49 119.26 116.89 1nr1 h ALA 489 Ca 0.25 -0.25 0.31 0.00 0.00 0.00 0.00 54.91 55.23 1nr1 h ALA 489 Cb 0.38 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1nr1 h ALA 489 CO -0.41 -1.22 0.78 0.82 0.00 0.00 0.00 179.25 179.21 1nr1 h ILE 490 N -1.12 0.46 0.27 0.00 2.04 0.19 0.23 117.51 119.57 1nr1 h ILE 490 Ca -0.11 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1nr1 h ILE 490 Cb 0.86 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1nr1 h ILE 490 CO 0.19 0.01 -0.13 -0.33 0.00 0.00 0.00 178.15 177.89 1nr1 h GLU 491 N 0.05 -0.35 -0.44 2.37 5.08 -0.66 -2.56 114.58 118.08 1nr1 h GLU 491 Ca 0.53 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1nr1 h GLU 491 Cb 2.02 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.30 1nr1 h GLU 491 CO -0.04 -0.23 -0.26 1.63 -1.00 0.00 0.00 179.01 179.11 1nr1 n LYS 492 N -3.18 -0.19 -0.13 2.33 5.02 0.70 -0.80 118.16 121.91 1nr1 n LYS 492 Ca -0.04 1.03 -0.11 0.00 -2.02 0.00 0.00 58.31 57.16 1nr1 n LYS 492 Cb 0.14 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1nr1 n LYS 492 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nr1 h VAL 493 N 0.00 0.07 -0.96 -0.18 2.07 -1.35 -1.51 116.25 114.38 1nr1 h VAL 493 Ca 0.07 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.79 1nr1 h VAL 493 Cb 0.18 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 1nr1 h VAL 493 CO -0.41 0.00 0.61 0.15 0.02 0.00 0.00 177.57 177.94 1nr1 h PHE 494 N -0.36 0.79 0.33 1.57 3.57 -0.52 -1.91 116.94 120.41 1nr1 h PHE 494 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1nr1 h PHE 494 Cb 0.59 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1nr1 h PHE 494 CO -0.66 0.19 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.23 1nr1 h LYS 495 N 0.58 -0.43 -0.89 1.11 3.64 -0.18 0.74 116.57 121.14 1nr1 h LYS 495 Ca 0.53 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 60.06 1nr1 h LYS 495 Cb 1.07 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1nr1 h LYS 495 CO -0.27 -0.20 0.57 0.28 -2.27 0.00 0.00 179.45 177.55 1nr1 h VAL 496 N -0.59 0.88 0.00 2.00 2.07 -1.08 0.39 116.25 119.93 1nr1 h VAL 496 Ca -0.05 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1nr1 h VAL 496 Cb 0.43 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1nr1 h VAL 496 CO 0.08 0.14 -0.68 1.88 0.02 0.00 0.00 177.57 179.01 1nr1 h TYR 497 N 0.76 0.00 0.04 1.57 0.05 -1.12 -3.25 116.97 115.02 1nr1 h TYR 497 Ca 0.43 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.95 1nr1 h TYR 497 Cb 0.60 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.35 1nr1 h TYR 497 CO -0.00 0.68 -1.08 -0.97 -1.05 0.00 0.00 178.16 175.74 1nr1 h ASN 498 N 0.00 0.71 -0.29 3.88 -0.00 0.39 -2.46 115.58 117.81 1nr1 h ASN 498 Ca -0.01 -0.61 -0.20 0.00 -0.00 0.00 0.00 56.30 55.48 1nr1 h ASN 498 Cb 1.23 -0.22 -0.08 0.00 -0.00 0.00 0.00 38.32 39.25 1nr1 h ASN 498 CO 0.09 1.42 0.12 -0.62 -0.00 0.00 0.00 177.43 178.43 1nr1 n GLU 499 N -3.76 1.62 0.00 6.67 4.71 0.10 -4.42 120.64 125.55 1nr1 n GLU 499 Ca -0.10 -0.99 0.00 0.00 -0.01 0.00 0.00 57.16 56.06 1nr1 n GLU 499 Cb 0.91 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 1nr1 n GLU 499 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nr1 n ALA 500 N 1.23 0.00 0.00 0.62 0.00 -1.22 -5.01 120.51 116.12 1nr1 n ALA 500 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1nr1 n ALA 500 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1nr1 n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nr1 n GLY 501 N 0.00 -1.37 2.00 0.00 0.00 -0.93 -4.07 105.19 100.82 1nr1 n GLY 501 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1nr1 n GLY 501 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nr1 n VAL 502 N 0.00 0.00 -1.26 1.61 0.24 -1.26 -4.69 118.33 112.97 1nr1 n VAL 502 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nr1 n VAL 502 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1nr1 n VAL 502 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nr1 n THR 503 N -2.77 0.00 -2.39 3.34 -2.24 -1.26 -4.40 114.28 104.56 1nr1 n THR 503 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1nr1 n THR 503 Cb 0.00 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1nr1 n THR 503 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nr1 n PHE 504 N 0.00 1.60 1.30 4.78 3.01 -1.26 -5.28 117.46 121.60 1nr1 n PHE 504 Ca 0.00 -1.96 0.13 0.00 1.01 0.00 0.00 57.45 56.64 1nr1 n PHE 504 Cb 0.38 -0.27 0.36 0.00 -0.01 0.00 0.00 39.48 39.94 1nr1 n PHE 504 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40