#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr1 s PRO 11 N 0.00 1.82 -0.07 0.11 0.02 -1.26 -5.10 135.00 130.52 1nr1 s PRO 11 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 61.00 59.86 1nr1 s PRO 11 Cb 0.00 -2.38 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 1nr1 s PRO 11 CO 0.00 -1.32 -0.05 0.54 -0.33 0.00 0.00 177.00 175.84 1nr1 s ASN 12 N -4.70 4.78 0.16 2.53 4.22 -1.26 -4.96 114.94 115.71 1nr1 s ASN 12 Ca 0.65 0.01 0.01 0.00 -2.14 0.00 0.00 52.86 51.39 1nr1 s ASN 12 Cb -0.06 -1.24 0.40 0.00 1.28 0.00 0.00 41.25 41.63 1nr1 s ASN 12 CO 0.43 0.36 0.83 2.22 -2.04 0.00 0.00 177.10 178.91 1nr1 n PHE 13 N 2.22 0.33 -0.12 1.54 1.16 -1.26 0.12 117.46 121.45 1nr1 n PHE 13 Ca -0.18 0.64 -0.13 0.00 -1.87 0.00 0.00 57.45 55.91 1nr1 n PHE 13 Cb 0.53 -0.90 -0.09 0.00 -1.61 0.00 0.00 39.48 37.41 1nr1 n PHE 13 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nr1 h PHE 14 N 0.00 -1.59 0.00 2.97 3.57 -1.94 1.42 116.94 121.37 1nr1 h PHE 14 Ca 0.32 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 1nr1 h PHE 14 Cb 0.66 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1nr1 h PHE 14 CO -0.28 -0.46 -0.25 0.87 -2.23 0.00 0.00 178.31 175.96 1nr1 h LYS 15 N -0.38 0.00 0.06 1.11 1.79 -0.73 0.21 116.57 118.64 1nr1 h LYS 15 Ca 0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1nr1 h LYS 15 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1nr1 h LYS 15 CO -0.55 0.25 -0.03 0.52 -1.08 0.00 0.00 179.45 178.56 1nr1 h MET 16 N 0.00 -0.08 -0.68 3.15 2.86 0.35 -1.29 114.93 119.24 1nr1 h MET 16 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nr1 h MET 16 Cb 0.57 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1nr1 h MET 16 CO 0.03 0.35 0.42 0.28 1.06 0.00 0.00 176.91 179.05 1nr1 h VAL 17 N -0.97 1.19 0.57 -2.22 2.07 0.18 0.20 116.25 117.26 1nr1 h VAL 17 Ca -0.01 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1nr1 h VAL 17 Cb 0.47 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1nr1 h VAL 17 CO 0.01 0.19 -0.44 -0.08 0.02 0.00 0.00 177.57 177.28 1nr1 h GLU 18 N 0.93 -0.95 -0.71 1.57 4.81 -1.03 0.28 114.58 119.49 1nr1 h GLU 18 Ca 0.25 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.70 1nr1 h GLU 18 Cb -0.05 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 29.42 1nr1 h GLU 18 CO -0.05 -0.63 0.05 0.78 -0.73 0.00 0.00 179.01 178.43 1nr1 h GLY 19 N -0.98 0.84 1.47 1.92 0.00 -0.04 0.18 103.07 106.47 1nr1 h GLY 19 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1nr1 h GLY 19 CO 0.01 -0.24 0.28 0.74 0.00 0.00 0.00 176.54 177.33 1nr1 h PHE 20 N 0.15 0.67 -0.16 5.60 0.05 -0.10 0.30 116.94 123.45 1nr1 h PHE 20 Ca 0.39 -0.00 -0.15 0.00 3.82 0.00 0.00 57.97 62.03 1nr1 h PHE 20 Cb 0.67 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.40 1nr1 h PHE 20 CO -0.36 0.47 -0.47 0.35 -0.18 0.00 0.00 178.31 178.12 1nr1 h PHE 21 N 0.70 0.79 0.24 -0.55 3.57 0.14 -2.92 116.94 118.91 1nr1 h PHE 21 Ca 0.18 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1nr1 h PHE 21 Cb 0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1nr1 h PHE 21 CO 0.00 1.09 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.56 1nr1 h ASP 22 N 0.27 -0.44 0.08 0.41 3.32 -0.44 0.59 116.42 120.20 1nr1 h ASP 22 Ca -0.01 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1nr1 h ASP 22 Cb 1.09 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1nr1 h ASP 22 CO 0.10 -0.27 -0.47 -0.09 -1.72 0.00 0.00 179.24 176.79 1nr1 h ARG 23 N -0.42 -0.65 0.00 3.56 1.12 -1.04 -2.05 114.38 114.91 1nr1 h ARG 23 Ca -0.02 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 1nr1 h ARG 23 Cb 0.36 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 1nr1 h ARG 23 CO 0.00 -0.43 -0.35 0.78 -3.11 0.00 0.00 179.97 176.86 1nr1 h GLY 24 N -0.67 0.00 0.89 2.80 0.00 -1.41 -2.88 103.07 101.78 1nr1 h GLY 24 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1nr1 h GLY 24 CO -0.29 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.32 1nr1 h ALA 25 N 1.65 0.23 0.67 3.60 0.00 0.61 -1.96 119.26 124.06 1nr1 h ALA 25 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1nr1 h ALA 25 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nr1 h ALA 25 CO 0.05 -0.18 -0.49 0.66 0.00 0.00 0.00 179.25 179.29 1nr1 h SER 26 N 0.14 -1.28 -0.92 0.00 4.64 -1.31 0.11 113.55 114.92 1nr1 h SER 26 Ca 0.06 0.08 0.27 0.00 -0.47 0.00 0.00 61.79 61.73 1nr1 h SER 26 Cb 0.17 0.39 -0.16 0.00 -0.31 0.00 0.00 62.40 62.50 1nr1 h SER 26 CO -0.00 -0.71 0.23 0.40 -0.87 0.00 0.00 176.83 175.88 1nr1 h ILE 27 N -1.11 0.20 -0.48 0.95 2.04 -1.49 0.71 117.51 118.34 1nr1 h ILE 27 Ca -0.09 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1nr1 h ILE 27 Cb 0.91 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1nr1 h ILE 27 CO 0.04 0.03 0.16 0.58 0.00 0.00 0.00 178.15 178.95 1nr1 h VAL 28 N 0.14 1.22 0.00 1.67 2.07 -0.83 -3.33 116.25 117.20 1nr1 h VAL 28 Ca 0.61 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1nr1 h VAL 28 Cb 1.29 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1nr1 h VAL 28 CO -0.73 0.27 0.00 1.21 0.02 0.00 0.00 177.57 178.33 1nr1 n GLU 29 N -4.53 0.00 -0.13 1.57 2.13 0.25 -0.01 120.64 119.91 1nr1 n GLU 29 Ca 0.01 0.81 -0.05 0.00 0.66 0.00 0.00 57.16 58.59 1nr1 n GLU 29 Cb 0.18 -1.37 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 1nr1 n GLU 29 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nr1 h ASP 30 N 0.00 -0.89 0.01 4.31 3.32 -1.67 0.47 116.42 121.98 1nr1 h ASP 30 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1nr1 h ASP 30 Cb 0.00 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1nr1 h ASP 30 CO 0.00 -0.13 -0.06 0.11 -1.72 0.00 0.00 179.24 177.44 1nr1 h LYS 31 N -0.07 -0.07 -0.72 3.56 1.79 -1.64 -2.41 116.57 117.01 1nr1 h LYS 31 Ca 0.05 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.68 1nr1 h LYS 31 Cb 0.21 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 30.74 1nr1 h LYS 31 CO -0.35 -0.05 -0.15 -0.11 -1.08 0.00 0.00 179.45 177.71 1nr1 n LEU 32 N -2.79 -0.24 0.00 2.94 7.94 0.98 -1.44 117.00 124.40 1nr1 n LEU 32 Ca -0.01 1.23 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 1nr1 n LEU 32 Cb 0.04 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1nr1 n LEU 32 CO 0.02 -1.19 0.05 0.52 -1.11 0.00 0.00 177.39 175.68 1nr1 n VAL 33 N -5.14 0.00 0.00 1.96 0.31 0.13 -3.50 118.33 112.09 1nr1 n VAL 33 Ca 0.12 0.61 0.00 0.00 -0.01 0.00 0.00 64.34 65.06 1nr1 n VAL 33 Cb 0.38 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.15 1.26 0.00 5.55 0.28 -0.52 -0.62 120.64 126.45 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 -0.24 -1.84 3.85 -1.25 0.39 116.55 117.46 1nr1 n ASP 35 Ca 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 54.79 54.00 1nr1 n ASP 35 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 1nr1 n ASP 35 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1nr1 h LEU 36 N 0.00 -1.47 0.00 -2.12 3.38 -1.75 -3.37 115.31 109.98 1nr1 h LEU 36 Ca 0.00 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1nr1 h LEU 36 Cb 0.00 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nr1 h LEU 36 CO 0.00 -0.20 -1.13 -2.11 0.09 0.00 0.00 178.44 175.09 1nr1 n ARG 37 N -4.58 1.55 0.00 1.13 -4.01 -0.62 -4.68 116.66 105.44 1nr1 n ARG 37 Ca 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1nr1 n ARG 37 Cb 0.20 -1.06 0.00 0.00 -3.04 0.00 0.00 32.46 28.56 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 -1.79 0.13 0.16 8.89 -1.04 0.16 -2.63 114.28 118.16 1nr1 n THR 38 Ca -0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.03 1nr1 n THR 38 Cb 0.28 -0.37 0.20 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.09 0.00 -1.44 -2.82 3.08 -1.75 -3.23 114.38 109.32 1nr1 h ARG 39 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1nr1 h ARG 39 Cb 0.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.83 1nr1 h ARG 39 CO 0.00 0.46 -0.89 -0.85 -1.07 0.00 0.00 179.97 177.63 1nr1 n GLU 40 N -3.42 2.61 -0.54 0.04 -0.00 -1.08 -5.02 120.64 113.23 1nr1 n GLU 40 Ca 0.00 -4.10 -0.28 0.00 -0.00 0.00 0.00 57.16 52.78 1nr1 n GLU 40 Cb 0.61 -1.92 -0.06 0.00 -0.00 0.00 0.00 31.44 30.08 1nr1 n GLU 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1nr1 n SER 41 N -0.30 1.67 -4.64 -1.84 3.41 -1.22 -4.90 113.62 105.79 1nr1 n SER 41 Ca 0.29 -2.37 -0.42 0.00 -0.26 0.00 0.00 58.87 56.10 1nr1 n SER 41 Cb 0.69 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1nr1 n SER 41 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nr1 s GLU 42 N 5.44 3.90 0.00 4.33 2.02 -1.26 -1.70 118.70 131.43 1nr1 s GLU 42 Ca 0.42 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.67 1nr1 s GLU 42 Cb 0.10 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1nr1 s GLU 42 CO 0.14 -1.20 0.00 0.39 0.02 0.00 0.00 175.26 174.61 1nr1 n GLU 43 N 7.70 0.00 -2.38 1.61 -0.58 -1.26 -3.47 120.64 122.27 1nr1 n GLU 43 Ca 0.21 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.75 1nr1 n GLU 43 Cb 0.43 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 1nr1 n GLU 43 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1nr1 n GLN 44 N -1.99 -1.62 -0.45 3.49 -0.06 -0.69 -4.80 117.38 111.27 1nr1 n GLN 44 Ca 0.00 0.99 0.10 0.00 -2.00 0.00 0.00 57.00 56.08 1nr1 n GLN 44 Cb 0.00 -5.61 0.31 0.00 -4.06 0.00 0.00 30.24 20.88 1nr1 n GLN 44 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1nr1 n LYS 45 N -2.94 2.99 0.25 3.69 5.02 -1.23 -4.17 118.16 121.78 1nr1 n LYS 45 Ca -0.24 -2.48 0.17 0.00 -2.02 0.00 0.00 58.31 53.74 1nr1 n LYS 45 Cb 0.68 -1.67 0.91 0.00 -0.02 0.00 0.00 35.03 34.93 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 3.80 0.00 0.12 1.97 2.47 -1.87 0.57 114.38 121.45 1nr1 h ARG 46 Ca 0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 1nr1 h ARG 46 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1nr1 h ARG 46 CO 0.10 0.00 -1.28 -0.97 0.56 0.00 0.00 179.97 178.38 1nr1 h ASN 47 N 0.00 0.41 1.39 7.04 -1.24 -1.98 -3.27 115.58 117.92 1nr1 h ASN 47 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1nr1 h ASN 47 Cb 0.01 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1nr1 h ASN 47 CO 0.00 1.36 0.00 -0.09 -1.29 0.00 0.00 177.43 177.41 1nr1 h ARG 48 N 0.07 0.00 -0.00 6.67 2.43 -0.17 -2.44 114.38 120.94 1nr1 h ARG 48 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1nr1 h ARG 48 Cb 1.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1nr1 h ARG 48 CO 0.20 0.00 -0.00 1.55 -1.51 0.00 0.00 179.97 180.20 1nr1 n VAL 49 N -3.08 0.00 1.18 0.20 3.14 -0.84 -3.03 118.33 115.90 1nr1 n VAL 49 Ca 0.02 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1nr1 n VAL 49 Cb 0.39 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 -0.95 0.97 0.21 1.45 1.85 -0.92 -2.93 116.66 116.34 1nr1 n ARG 50 Ca 0.22 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.17 1nr1 n ARG 50 Cb 0.15 -1.38 0.37 0.00 -1.05 0.00 0.00 32.46 30.55 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 5.08 0.00 -0.44 2.89 0.00 -1.77 -3.03 103.07 105.79 1nr1 h GLY 51 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1nr1 h GLY 51 CO 0.00 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.99 1nr1 h ILE 52 N 0.00 0.17 0.00 2.60 1.08 -1.85 0.31 117.51 119.83 1nr1 h ILE 52 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1nr1 h ILE 52 Cb 0.86 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1nr1 h ILE 52 CO 0.03 0.00 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.38 1nr1 h LEU 53 N -0.15 0.00 0.00 1.44 3.38 -1.82 0.87 115.31 119.03 1nr1 h LEU 53 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1nr1 h LEU 53 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nr1 h LEU 53 CO -0.69 0.03 -0.56 0.08 0.09 0.00 0.00 178.44 177.39 1nr1 h ARG 54 N 0.00 0.00 -0.00 1.13 0.11 -0.56 -2.83 114.38 112.23 1nr1 h ARG 54 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1nr1 h ARG 54 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1nr1 h ARG 54 CO 0.00 0.18 -0.11 0.82 0.10 0.00 0.00 179.97 180.97 1nr1 h ILE 55 N 0.00 1.58 0.00 0.08 2.04 -0.14 -3.34 117.51 117.73 1nr1 h ILE 55 Ca -0.02 -1.87 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 1nr1 h ILE 55 Cb 1.19 2.80 -0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1nr1 h ILE 55 CO 0.03 0.50 -0.14 0.40 0.00 0.00 0.00 178.15 178.93 1nr1 h ILE 56 N -0.65 1.04 0.61 -0.67 2.04 -0.92 -3.29 117.51 115.67 1nr1 h ILE 56 Ca -0.01 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1nr1 h ILE 56 Cb 0.87 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1nr1 h ILE 56 CO 0.02 0.14 -0.29 0.50 0.00 0.00 0.00 178.15 178.52 1nr1 h LYS 57 N 0.00 -0.78 -6.37 2.37 3.64 -1.62 -3.45 116.57 110.36 1nr1 h LYS 57 Ca -0.00 0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.90 1nr1 h LYS 57 Cb 0.27 0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1nr1 h LYS 57 CO 0.02 -0.48 1.22 -0.35 -2.27 0.00 0.00 179.45 177.59 1nr1 n PRO 58 N -5.39 2.86 -1.66 1.90 -0.04 -1.24 -4.94 135.00 126.49 1nr1 n PRO 58 Ca -0.12 1.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 1nr1 n PRO 58 Cb 0.35 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 1nr1 n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nr1 h ASN 60 N 11.95 0.71 -3.72 0.00 4.21 -1.34 -3.45 115.58 123.94 1nr1 h ASN 60 Ca -0.47 0.01 -0.20 0.00 1.21 0.00 0.00 56.30 56.85 1nr1 h ASN 60 Cb 1.24 -0.14 -0.28 0.00 -1.12 0.00 0.00 38.32 38.02 1nr1 h ASN 60 CO 0.95 0.45 -0.58 -1.00 -1.29 0.00 0.00 177.43 175.96 1nr1 s HIS 61 N -5.71 -0.14 0.01 1.19 3.76 -0.94 -5.03 115.29 108.43 1nr1 s HIS 61 Ca -0.10 0.36 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 1nr1 s HIS 61 Cb 0.20 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.90 1nr1 s HIS 61 CO 0.78 -0.08 -0.04 0.54 -0.85 0.00 0.00 174.74 175.08 1nr1 s VAL 62 N 0.25 0.28 -0.04 -0.90 0.11 -1.26 0.46 120.40 119.29 1nr1 s VAL 62 Ca -0.01 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1nr1 s VAL 62 Cb -0.03 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1nr1 s VAL 62 CO -0.01 -0.19 0.00 -0.22 -3.33 0.00 0.00 175.10 171.36 1nr1 s LEU 63 N -0.79 0.93 -0.08 2.54 2.96 -0.10 -4.99 118.68 119.15 1nr1 s LEU 63 Ca -0.06 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1nr1 s LEU 63 Cb -0.06 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1nr1 s LEU 63 CO -0.00 -0.13 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.29 1nr1 s SER 64 N 1.37 3.81 0.35 3.68 0.01 -1.26 -1.48 113.70 120.19 1nr1 s SER 64 Ca -0.05 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 56.98 1nr1 s SER 64 Cb -0.13 -1.08 -0.07 0.00 0.21 0.00 0.00 66.02 64.95 1nr1 s SER 64 CO -0.02 0.27 -0.02 -0.76 0.41 0.00 0.00 173.24 173.12 1nr1 s LEU 65 N -0.28 2.63 -0.23 2.44 1.43 0.87 -4.98 118.68 120.57 1nr1 s LEU 65 Ca 0.01 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.77 1nr1 s LEU 65 Cb -0.13 -0.77 0.12 0.00 0.03 0.00 0.00 46.19 45.44 1nr1 s LEU 65 CO 0.03 -0.40 0.43 -0.94 0.23 0.00 0.00 176.35 175.69 1nr1 s SER 66 N -3.59 -0.18 0.15 2.29 1.04 -1.24 -2.27 113.70 109.89 1nr1 s SER 66 Ca 0.34 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1nr1 s SER 66 Cb 0.07 1.36 -0.04 0.00 0.10 0.00 0.00 66.02 67.51 1nr1 s SER 66 CO 0.16 -0.26 0.03 0.72 0.98 0.00 0.00 173.24 174.87 1nr1 s PHE 67 N 2.62 1.01 0.32 5.02 -0.12 -0.27 -4.91 117.98 121.65 1nr1 s PHE 67 Ca 0.06 -1.13 0.08 0.00 -0.05 0.00 0.00 56.93 55.89 1nr1 s PHE 67 Cb -0.14 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1nr1 s PHE 67 CO -0.15 -0.37 0.17 -1.25 -0.05 0.00 0.00 175.22 173.57 1nr1 s PRO 68 N -3.98 2.51 0.08 1.99 0.04 -1.26 0.18 135.00 134.55 1nr1 s PRO 68 Ca 0.23 -1.42 -0.10 0.00 0.04 0.00 0.00 61.00 59.76 1nr1 s PRO 68 Cb 0.07 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1nr1 s PRO 68 CO 0.02 0.16 0.22 0.96 0.04 0.00 0.00 177.00 178.40 1nr1 s ILE 69 N -2.35 0.13 -0.58 0.56 -4.36 -0.05 -4.92 121.20 109.63 1nr1 s ILE 69 Ca 0.37 -1.04 -0.08 0.00 -0.26 0.00 0.00 60.65 59.64 1nr1 s ILE 69 Cb -0.04 -1.22 0.15 0.00 1.25 0.00 0.00 42.46 42.60 1nr1 s ILE 69 CO 0.24 -0.58 0.44 -0.60 0.24 0.00 0.00 174.94 174.68 1nr1 s ARG 70 N -3.53 2.69 0.54 0.37 3.52 -1.26 -2.07 118.95 119.22 1nr1 s ARG 70 Ca 0.02 -2.11 -0.18 0.00 -0.13 0.00 0.00 55.73 53.33 1nr1 s ARG 70 Cb 0.03 -3.95 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 1nr1 s ARG 70 CO -0.09 -1.20 0.42 0.54 -0.81 0.00 0.00 175.30 174.16 1nr1 n ARG 71 N 4.32 0.44 -0.34 5.12 1.74 -0.54 -4.74 116.66 122.67 1nr1 n ARG 71 Ca 0.01 0.17 0.36 0.00 -0.77 0.00 0.00 57.85 57.61 1nr1 n ARG 71 Cb 0.41 -1.57 0.75 0.00 -1.02 0.00 0.00 32.46 31.02 1nr1 n ARG 71 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1nr1 h ASP 72 N 0.25 0.02 0.00 0.55 5.19 -1.97 0.53 116.42 120.99 1nr1 h ASP 72 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1nr1 h ASP 72 Cb 1.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.92 1nr1 h ASP 72 CO 0.47 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.69 1nr1 n ASP 73 N -4.19 0.00 0.00 6.45 3.85 -1.26 -4.87 116.55 116.53 1nr1 n ASP 73 Ca 0.26 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.92 1nr1 n ASP 73 Cb 1.26 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.03 1nr1 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nr1 n GLY 74 N 0.65 0.87 3.94 6.12 0.00 0.18 -5.06 105.19 111.90 1nr1 n GLY 74 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.99 5.10 0.07 1.61 1.04 -1.24 -4.89 113.70 112.39 1nr1 s SER 75 Ca 0.00 0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.83 1nr1 s SER 75 Cb 0.00 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.96 1nr1 s SER 75 CO 0.00 -1.35 -0.15 0.26 0.98 0.00 0.00 173.24 172.98 1nr1 s TRP 76 N -3.03 2.64 -0.09 5.02 0.51 -1.26 -1.46 118.94 121.26 1nr1 s TRP 76 Ca 0.58 -0.21 -0.06 0.00 -2.12 0.00 0.00 56.10 54.29 1nr1 s TRP 76 Cb -0.11 -1.45 0.03 0.00 -0.81 0.00 0.00 33.47 31.14 1nr1 s TRP 76 CO 0.42 0.34 0.22 -2.00 -0.51 0.00 0.00 176.95 175.42 1nr1 s GLU 77 N -1.75 0.22 0.11 4.98 2.12 -0.88 -4.93 118.70 118.57 1nr1 s GLU 77 Ca 0.17 0.39 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 1nr1 s GLU 77 Cb -0.11 0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.23 1nr1 s GLU 77 CO 0.08 -0.09 0.46 0.14 -0.54 0.00 0.00 175.26 175.31 1nr1 s VAL 78 N 0.61 5.01 -0.04 3.70 -7.23 -1.26 -0.87 120.40 120.33 1nr1 s VAL 78 Ca -0.04 0.58 0.06 0.00 -1.81 0.00 0.00 61.98 60.77 1nr1 s VAL 78 Cb -0.05 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 1nr1 s VAL 78 CO -0.03 0.26 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.18 1nr1 s ILE 79 N -1.43 1.73 -0.05 -0.62 1.09 0.46 -4.90 121.20 117.49 1nr1 s ILE 79 Ca 0.35 -0.91 0.01 0.00 -1.10 0.00 0.00 60.65 59.01 1nr1 s ILE 79 Cb -0.14 -1.46 -0.03 0.00 -1.06 0.00 0.00 42.46 39.76 1nr1 s ILE 79 CO 0.19 0.49 -0.06 -1.83 -0.10 0.00 0.00 174.94 173.62 1nr1 s GLU 80 N -0.22 2.70 0.06 2.79 -1.05 -1.26 -1.11 118.70 120.61 1nr1 s GLU 80 Ca 0.01 -0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 53.97 1nr1 s GLU 80 Cb -0.11 -2.57 0.07 0.00 -0.44 0.00 0.00 34.13 31.07 1nr1 s GLU 80 CO 0.02 0.65 0.62 0.20 0.95 0.00 0.00 175.26 177.69 1nr1 s GLY 81 N -1.00 -0.57 0.17 -3.83 0.00 -0.96 -0.77 107.32 100.35 1nr1 s GLY 81 Ca 0.14 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.71 1nr1 s GLY 81 CO 0.03 0.48 -0.04 -0.19 0.00 0.00 0.00 173.10 173.38 1nr1 s TYR 82 N -2.57 1.27 -0.17 1.90 1.51 0.14 -0.09 117.35 119.33 1nr1 s TYR 82 Ca -0.05 -0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 55.04 1nr1 s TYR 82 Cb -0.01 -0.70 0.06 0.00 -0.11 0.00 0.00 41.96 41.21 1nr1 s TYR 82 CO -0.02 -0.06 0.39 0.50 -1.11 0.00 0.00 175.55 175.24 1nr1 s ARG 83 N -3.83 0.35 0.01 -0.62 6.06 -0.55 -0.47 118.95 119.90 1nr1 s ARG 83 Ca 0.21 0.81 0.08 0.00 -2.50 0.00 0.00 55.73 54.33 1nr1 s ARG 83 Cb 0.05 0.04 -0.02 0.00 0.06 0.00 0.00 34.95 35.07 1nr1 s ARG 83 CO 0.03 -0.18 -0.24 0.00 -2.50 0.00 0.00 175.30 172.40 1nr1 s ALA 84 N 1.69 2.06 -0.33 6.12 0.00 0.14 -0.92 121.76 130.51 1nr1 s ALA 84 Ca -0.07 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1nr1 s ALA 84 Cb -0.09 -0.48 0.09 0.00 0.00 0.00 0.00 23.12 22.64 1nr1 s ALA 84 CO -0.12 0.49 0.03 -0.65 0.00 0.00 0.00 175.76 175.51 1nr1 s GLN 85 N -0.85 1.59 0.07 0.00 -0.21 0.17 -0.30 119.66 120.14 1nr1 s GLN 85 Ca 0.10 -1.79 -0.23 0.00 0.02 0.00 0.00 55.36 53.46 1nr1 s GLN 85 Cb -0.09 -3.15 -0.15 0.00 1.00 0.00 0.00 33.01 30.62 1nr1 s GLN 85 CO 0.00 -0.88 1.62 1.25 -2.12 0.00 0.00 175.29 175.16 1nr1 h HIS 86 N 7.64 0.07 -4.08 0.91 -0.00 -1.07 -2.48 115.15 116.15 1nr1 h HIS 86 Ca -0.06 -0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.14 1nr1 h HIS 86 Cb 1.02 -0.02 -0.15 0.00 -0.00 0.00 0.00 27.41 28.26 1nr1 h HIS 86 CO 0.49 0.18 -0.69 0.45 -0.00 0.00 0.00 177.93 178.36 1nr1 s SER 87 N -5.39 0.71 -0.06 3.26 0.15 -1.21 -2.04 113.70 109.12 1nr1 s SER 87 Ca -0.14 -0.96 0.22 0.00 0.70 0.00 0.00 55.95 55.78 1nr1 s SER 87 Cb 0.05 0.15 0.43 0.00 -1.71 0.00 0.00 66.02 64.95 1nr1 s SER 87 CO 0.67 -0.53 1.18 0.00 1.20 0.00 0.00 173.24 175.77 1nr1 n GLN 88 N 0.18 0.45 0.21 5.44 6.02 -1.26 -3.98 117.38 124.45 1nr1 n GLN 88 Ca -0.14 -2.37 0.14 0.00 -0.01 0.00 0.00 57.00 54.62 1nr1 n GLN 88 Cb 0.60 -0.44 0.45 0.00 1.02 0.00 0.00 30.24 31.88 1nr1 n GLN 88 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 1nr1 h HIS 89 N 1.08 0.00 -3.74 1.08 2.07 -1.96 -3.37 115.15 110.32 1nr1 h HIS 89 Ca -0.17 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 56.70 1nr1 h HIS 89 Cb 1.68 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 31.29 1nr1 h HIS 89 CO 0.32 0.00 -0.80 0.50 -3.07 0.00 0.00 177.93 174.88 1nr1 s ARG 90 N -3.38 2.16 0.00 5.12 6.06 -1.26 -5.00 118.95 122.65 1nr1 s ARG 90 Ca 0.05 -1.21 0.00 0.00 -2.50 0.00 0.00 55.73 52.07 1nr1 s ARG 90 Cb 0.08 -2.78 0.00 0.00 0.06 0.00 0.00 34.95 32.32 1nr1 s ARG 90 CO 0.56 -0.54 0.06 0.25 -2.50 0.00 0.00 175.30 173.13 1nr1 n THR 91 N 4.51 0.00 -2.18 4.11 -2.24 -1.26 -1.94 114.28 115.27 1nr1 n THR 91 Ca -0.14 0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1nr1 n THR 91 Cb 0.43 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1nr1 n THR 91 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1nr1 s PRO 92 N -0.37 4.32 0.40 -0.78 0.02 -1.26 -4.66 135.00 132.67 1nr1 s PRO 92 Ca 0.00 2.06 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 1nr1 s PRO 92 Cb 0.00 -3.28 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 1nr1 s PRO 92 CO 0.00 -0.45 0.85 0.00 -0.33 0.00 0.00 177.00 177.08 1nr1 s LYS 94 N -3.29 1.23 0.00 0.00 2.47 0.12 -0.47 119.74 119.79 1nr1 s LYS 94 Ca 0.58 -1.11 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 1nr1 s LYS 94 Cb -0.10 -1.46 0.00 0.00 -1.46 0.00 0.00 37.83 34.81 1nr1 s LYS 94 CO 0.19 0.35 0.00 0.41 0.16 0.00 0.00 175.35 176.46 1nr1 n GLY 95 N 1.31 3.50 3.47 5.54 0.00 -1.21 -1.04 105.19 116.75 1nr1 n GLY 95 Ca -0.19 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 1.52 -0.17 -0.02 0.00 -1.26 -2.70 107.32 104.69 1nr1 s GLY 96 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1nr1 s GLY 96 CO 0.00 -0.01 -0.06 -0.42 0.00 0.00 0.00 173.10 172.62 1nr1 s ILE 97 N -2.73 1.15 -0.13 0.90 -1.09 0.26 -2.17 121.20 117.39 1nr1 s ILE 97 Ca 0.71 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 58.42 1nr1 s ILE 97 Cb -0.10 -1.32 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 1nr1 s ILE 97 CO 0.56 0.13 0.06 -0.60 -1.23 0.00 0.00 174.94 173.87 1nr1 s ARG 98 N 1.61 3.49 -0.39 2.79 3.52 0.67 -3.79 118.95 126.85 1nr1 s ARG 98 Ca 0.01 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 1nr1 s ARG 98 Cb -0.15 -3.06 0.11 0.00 -1.56 0.00 0.00 34.95 30.28 1nr1 s ARG 98 CO -0.08 0.56 0.16 0.71 -0.81 0.00 0.00 175.30 175.85 1nr1 s TYR 99 N -0.45 3.64 0.06 5.12 4.12 -1.26 -0.20 117.35 128.37 1nr1 s TYR 99 Ca 0.10 -2.60 -0.22 0.00 0.02 0.00 0.00 57.07 54.37 1nr1 s TYR 99 Cb -0.12 -3.14 0.05 0.00 -1.52 0.00 0.00 41.96 37.23 1nr1 s TYR 99 CO 0.02 -0.96 0.51 0.45 0.02 0.00 0.00 175.55 175.59 1nr1 s SER 100 N 1.52 -0.43 0.00 2.29 0.15 -0.02 -4.59 113.70 112.62 1nr1 s SER 100 Ca 0.09 0.13 0.30 0.00 0.70 0.00 0.00 55.95 57.17 1nr1 s SER 100 Cb -0.22 0.49 1.40 0.00 -1.71 0.00 0.00 66.02 65.98 1nr1 s SER 100 CO -0.05 -0.74 1.96 0.35 1.20 0.00 0.00 173.24 175.96 1nr1 n THR 101 N 0.33 0.00 -0.75 6.45 -2.24 -1.13 -1.67 114.28 115.27 1nr1 n THR 101 Ca -0.18 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1nr1 n THR 101 Cb 0.61 -0.19 0.24 0.00 -2.10 0.00 0.00 70.33 68.88 1nr1 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nr1 n ASP 102 N -0.92 3.70 -4.71 3.42 5.68 -1.26 -4.87 116.55 117.58 1nr1 n ASP 102 Ca 0.17 -2.72 -0.32 0.00 -0.50 0.00 0.00 54.79 51.42 1nr1 n ASP 102 Cb 0.24 -0.46 0.12 0.00 -1.14 0.00 0.00 41.12 39.89 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 -2.29 2.42 0.29 2.12 -7.23 -1.23 -5.01 120.40 109.47 1nr1 s VAL 103 Ca 0.37 0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.63 1nr1 s VAL 103 Cb 0.28 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 1nr1 s VAL 103 CO 0.11 -0.16 0.46 -0.94 -0.31 0.00 0.00 175.10 174.27 1nr1 s SER 104 N -2.61 0.37 0.04 4.85 1.04 -1.26 -4.95 113.70 111.18 1nr1 s SER 104 Ca 0.68 -1.23 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 1nr1 s SER 104 Cb -0.24 0.62 -0.34 0.00 0.10 0.00 0.00 66.02 66.16 1nr1 s SER 104 CO 0.53 -1.21 1.04 0.58 0.98 0.00 0.00 173.24 175.15 1nr1 h VAL 105 N 2.21 1.29 -0.16 5.02 2.07 -1.99 -2.87 116.25 121.82 1nr1 h VAL 105 Ca -0.28 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 64.58 1nr1 h VAL 105 Cb 1.25 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.96 1nr1 h VAL 105 CO 0.39 0.80 0.09 0.44 0.02 0.00 0.00 177.57 179.31 1nr1 h ASP 106 N 0.18 0.20 -0.08 0.57 5.19 -1.98 0.24 116.42 120.75 1nr1 h ASP 106 Ca -0.23 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1nr1 h ASP 106 Cb 2.10 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 41.53 1nr1 h ASP 106 CO 0.26 0.22 -0.20 -0.08 -3.12 0.00 0.00 179.24 176.32 1nr1 h GLU 107 N 0.17 -0.19 -0.16 3.56 4.81 -1.95 0.34 114.58 121.16 1nr1 h GLU 107 Ca 0.06 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1nr1 h GLU 107 Cb 0.06 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1nr1 h GLU 107 CO -0.01 -0.12 -0.33 -0.39 -0.73 0.00 0.00 179.01 177.42 1nr1 h VAL 108 N -0.19 0.26 -1.00 0.32 -1.51 -1.29 -1.35 116.25 111.48 1nr1 h VAL 108 Ca 0.02 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.80 1nr1 h VAL 108 Cb 0.24 0.26 -0.15 0.00 -2.13 0.00 0.00 31.29 29.52 1nr1 h VAL 108 CO -0.17 0.00 0.56 0.11 -1.23 0.00 0.00 177.57 176.83 1nr1 h LYS 109 N -0.39 0.33 0.16 5.19 1.57 0.02 0.32 116.57 123.77 1nr1 h LYS 109 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1nr1 h LYS 109 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1nr1 h LYS 109 CO -0.38 0.22 -0.08 0.00 -0.57 0.00 0.00 179.45 178.64 1nr1 h ALA 110 N 1.84 -0.22 -0.07 3.86 0.00 -0.07 -2.99 119.26 121.61 1nr1 h ALA 110 Ca 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1nr1 h ALA 110 Cb 1.62 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1nr1 h ALA 110 CO -0.60 -0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 178.23 1nr1 h LEU 111 N -0.91 0.09 -1.10 0.00 3.38 -0.85 0.41 115.31 116.33 1nr1 h LEU 111 Ca -0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1nr1 h LEU 111 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1nr1 h LEU 111 CO 0.04 0.19 -0.28 0.00 0.09 0.00 0.00 178.44 178.47 1nr1 h ALA 112 N 1.83 1.25 -0.19 1.53 0.00 -1.04 0.30 119.26 122.92 1nr1 h ALA 112 Ca 0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1nr1 h ALA 112 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nr1 h ALA 112 CO 0.01 0.50 -0.30 1.03 0.00 0.00 0.00 179.25 180.50 1nr1 h SER 113 N 0.25 0.60 0.14 0.00 0.87 -0.93 -2.92 113.55 111.55 1nr1 h SER 113 Ca 0.04 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1nr1 h SER 113 Cb 0.63 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1nr1 h SER 113 CO 0.05 1.00 -0.20 0.25 -0.53 0.00 0.00 176.83 177.40 1nr1 h LEU 114 N 0.21 -0.57 -0.60 2.23 5.85 -0.50 -2.88 115.31 119.05 1nr1 h LEU 114 Ca 0.02 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.96 1nr1 h LEU 114 Cb 0.88 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1nr1 h LEU 114 CO 0.07 -0.24 0.05 0.23 -0.34 0.00 0.00 178.44 178.20 1nr1 n MET 115 N -3.56 -0.05 -0.10 1.25 2.81 0.05 0.11 117.12 117.63 1nr1 n MET 115 Ca -0.04 0.89 -0.11 0.00 -1.81 0.00 0.00 57.70 56.62 1nr1 n MET 115 Cb 0.17 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1nr1 n MET 115 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nr1 h THR 116 N 0.00 1.28 -0.06 2.03 1.03 -1.32 -1.68 112.91 114.19 1nr1 h THR 116 Ca 0.38 -1.50 -0.01 0.00 -0.01 0.00 0.00 66.41 65.28 1nr1 h THR 116 Cb 0.81 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1nr1 h THR 116 CO -0.55 0.50 0.02 1.88 -0.01 0.00 0.00 175.52 177.36 1nr1 h TYR 117 N 0.72 0.10 -0.62 0.00 0.05 0.91 -1.88 116.97 116.26 1nr1 h TYR 117 Ca 0.07 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.92 1nr1 h TYR 117 Cb 0.90 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.54 1nr1 h TYR 117 CO 0.05 0.27 0.28 -0.22 -1.05 0.00 0.00 178.16 177.49 1nr1 h LYS 118 N -0.09 0.49 -0.69 4.88 3.64 -1.09 -1.28 116.57 122.42 1nr1 h LYS 118 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1nr1 h LYS 118 Cb 0.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1nr1 h LYS 118 CO -0.00 0.32 0.37 0.00 -2.27 0.00 0.00 179.45 177.87 1nr1 h ALA 120 N 1.18 0.21 -0.12 0.00 0.00 -0.42 0.16 119.26 120.28 1nr1 h ALA 120 Ca 0.24 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1nr1 h ALA 120 Cb 0.06 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1nr1 h ALA 120 CO -0.04 -0.45 -0.50 0.28 0.00 0.00 0.00 179.25 178.54 1nr1 h VAL 121 N 0.02 0.00 -0.70 0.00 2.07 -0.99 -0.59 116.25 116.05 1nr1 h VAL 121 Ca 0.14 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.27 1nr1 h VAL 121 Cb 0.22 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.83 1nr1 h VAL 121 CO -0.30 0.00 0.40 1.33 0.02 0.00 0.00 177.57 179.02 1nr1 n VAL 122 N -5.20 3.02 -2.89 2.57 0.24 -1.07 -4.80 118.33 110.20 1nr1 n VAL 122 Ca -0.06 -2.20 -0.08 0.00 -2.04 0.00 0.00 64.34 59.96 1nr1 n VAL 122 Cb 0.35 -1.45 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 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 0.57 0.17 -4.58 -1.34 8.00 -0.23 -4.90 116.55 114.24 1nr1 n ASP 123 Ca 0.38 -0.33 -0.39 0.00 0.71 0.00 0.00 54.79 55.17 1nr1 n ASP 123 Cb 0.58 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 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 -3.16 5.27 -0.06 2.53 1.01 0.52 -5.00 120.40 121.51 1nr1 s VAL 124 Ca 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1nr1 s VAL 124 Cb -0.01 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1nr1 s VAL 124 CO 0.26 0.16 0.96 -0.81 0.00 0.00 0.00 175.10 175.67 1nr1 n PRO 125 N 5.13 0.27 -4.08 2.72 -0.04 -1.26 -4.28 135.00 133.47 1nr1 n PRO 125 Ca -0.13 -0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 62.88 1nr1 n PRO 125 Cb 0.51 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 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 3.44 0.39 0.67 0.54 2.99 -1.26 -4.48 117.98 120.27 1nr1 s PHE 126 Ca 0.07 -0.07 -0.13 0.00 0.00 0.00 0.00 56.93 56.81 1nr1 s PHE 126 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 43.02 42.76 1nr1 s PHE 126 CO -0.00 -0.03 1.07 0.20 -0.00 0.00 0.00 175.22 176.45 1nr1 s GLY 127 N 0.11 1.86 0.48 4.36 0.00 -0.82 -4.73 107.32 108.58 1nr1 s GLY 127 Ca -0.01 0.25 -0.09 0.00 0.00 0.00 0.00 44.72 44.87 1nr1 s GLY 127 CO -0.00 0.57 0.84 -0.32 0.00 0.00 0.00 173.10 174.19 1nr1 s GLY 128 N -3.31 1.75 0.24 0.20 0.00 -1.26 0.11 107.32 105.06 1nr1 s GLY 128 Ca 0.61 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.87 1nr1 s GLY 128 CO 0.48 -0.04 0.77 0.00 0.00 0.00 0.00 173.10 174.31 1nr1 s ALA 129 N -2.67 -1.34 0.00 3.20 0.00 -0.21 -0.59 121.76 120.15 1nr1 s ALA 129 Ca 0.51 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1nr1 s ALA 129 Cb -0.10 0.80 0.10 0.00 0.00 0.00 0.00 23.12 23.92 1nr1 s ALA 129 CO 0.40 -1.02 1.01 0.21 0.00 0.00 0.00 175.76 176.35 1nr1 s LYS 130 N -3.76 0.78 -0.01 0.00 2.47 0.59 -4.15 119.74 115.66 1nr1 s LYS 130 Ca 0.11 -0.35 -0.29 0.00 -1.56 0.00 0.00 55.97 53.87 1nr1 s LYS 130 Cb -0.05 0.32 0.07 0.00 -1.46 0.00 0.00 37.83 36.71 1nr1 s LYS 130 CO 0.05 -0.35 0.66 0.00 0.16 0.00 0.00 175.35 175.87 1nr1 s ALA 131 N -2.96 -1.73 0.04 3.13 0.00 -0.92 0.24 121.76 119.55 1nr1 s ALA 131 Ca 0.09 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1nr1 s ALA 131 Cb -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1nr1 s ALA 131 CO -0.05 -0.45 -0.05 0.20 0.00 0.00 0.00 175.76 175.41 1nr1 s GLY 132 N -1.51 0.39 -0.21 0.00 0.00 0.38 -0.24 107.32 106.13 1nr1 s GLY 132 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 1nr1 s GLY 132 CO 0.05 -0.84 0.01 0.14 0.00 0.00 0.00 173.10 172.46 1nr1 s VAL 133 N -1.87 0.88 -0.83 1.40 1.01 0.72 0.25 120.40 121.96 1nr1 s VAL 133 Ca -0.10 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 1nr1 s VAL 133 Cb -0.07 -1.33 -0.17 0.00 0.00 0.00 0.00 36.38 34.82 1nr1 s VAL 133 CO -0.02 -0.20 2.35 1.17 0.00 0.00 0.00 175.10 178.40 1nr1 n LYS 134 N 4.91 0.46 -3.55 2.72 4.81 0.05 -2.73 118.16 124.82 1nr1 n LYS 134 Ca -0.10 -0.86 -0.15 0.00 -0.87 0.00 0.00 58.31 56.33 1nr1 n LYS 134 Cb 0.46 -3.47 -0.05 0.00 0.02 0.00 0.00 35.03 31.98 1nr1 n LYS 134 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1nr1 s ILE 135 N 13.76 0.02 -0.50 3.15 1.10 -0.67 -4.60 121.20 133.46 1nr1 s ILE 135 Ca 0.94 -0.17 -0.02 0.00 -0.51 0.00 0.00 60.65 60.90 1nr1 s ILE 135 Cb -0.18 -0.97 0.13 0.00 0.15 0.00 0.00 42.46 41.59 1nr1 s ILE 135 CO 0.13 -0.09 0.29 0.21 -2.11 0.00 0.00 174.94 173.37 1nr1 s ASN 136 N -1.83 5.10 0.65 4.50 3.84 -1.26 -0.84 114.94 125.10 1nr1 s ASN 136 Ca -0.06 -2.47 0.07 0.00 0.21 0.00 0.00 52.86 50.60 1nr1 s ASN 136 Cb -0.01 -1.80 0.36 0.00 -0.55 0.00 0.00 41.25 39.26 1nr1 s ASN 136 CO 0.00 -0.43 1.20 -0.65 -2.79 0.00 0.00 177.10 174.43 1nr1 h PRO 137 N 7.45 0.00 0.00 0.43 0.11 -1.93 0.54 132.00 138.59 1nr1 h PRO 137 Ca -0.07 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1nr1 h PRO 137 Cb 0.99 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1nr1 h PRO 137 CO 0.69 0.00 -0.20 0.87 -0.21 0.00 0.00 178.00 179.15 1nr1 h LYS 138 N 0.00 0.00 -0.10 1.05 1.79 -1.97 -3.14 116.57 114.20 1nr1 h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nr1 h LYS 138 Cb 1.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 1nr1 h LYS 138 CO 0.00 0.20 0.00 0.09 -1.08 0.00 0.00 179.45 178.66 1nr1 n ASN 139 N -3.17 1.57 -4.39 0.86 4.13 0.19 -4.90 115.26 109.55 1nr1 n ASN 139 Ca 0.03 -1.61 -0.28 0.00 1.68 0.00 0.00 54.58 54.40 1nr1 n ASN 139 Cb 0.58 -0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.64 1nr1 n ASN 139 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1nr1 s TYR 140 N -1.89 2.27 0.82 3.10 2.02 -1.19 -5.10 117.35 117.39 1nr1 s TYR 140 Ca 0.35 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.55 1nr1 s TYR 140 Cb 0.19 -1.22 0.09 0.00 -0.40 0.00 0.00 41.96 40.62 1nr1 s TYR 140 CO 0.30 0.35 1.12 0.95 -1.57 0.00 0.00 175.55 176.70 1nr1 s THR 141 N -1.14 2.63 -0.18 -0.71 -4.23 -1.26 -4.87 115.64 105.88 1nr1 s THR 141 Ca 0.14 0.20 0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1nr1 s THR 141 Cb -0.10 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.05 1nr1 s THR 141 CO 0.06 -0.27 1.86 0.44 -0.54 0.00 0.00 174.62 176.17 1nr1 h ASP 142 N -1.16 0.00 0.73 3.99 3.32 -2.00 -2.16 116.42 119.15 1nr1 h ASP 142 Ca -0.48 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.32 1nr1 h ASP 142 Cb 1.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1nr1 h ASP 142 CO 0.62 0.00 -1.28 -1.13 -1.72 0.00 0.00 179.24 175.72 1nr1 h ASN 143 N 0.00 0.16 0.79 6.45 -0.73 -2.00 -3.02 115.58 117.23 1nr1 h ASN 143 Ca 0.00 -0.20 -0.10 0.00 1.87 0.00 0.00 56.30 57.87 1nr1 h ASN 143 Cb 0.48 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1nr1 h ASN 143 CO 0.00 1.16 -0.50 -0.33 -0.37 0.00 0.00 177.43 177.40 1nr1 h GLU 144 N 0.03 0.00 -0.12 6.67 5.08 -1.77 -2.23 114.58 122.23 1nr1 h GLU 144 Ca -0.13 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1nr1 h GLU 144 Cb 1.90 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.16 1nr1 h GLU 144 CO 0.14 0.50 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.00 1nr1 h LEU 145 N 0.00 0.72 -0.16 1.33 3.38 -1.47 -1.33 115.31 117.78 1nr1 h LEU 145 Ca -0.00 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1nr1 h LEU 145 Cb 1.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1nr1 h LEU 145 CO 0.06 1.24 0.09 -0.08 0.09 0.00 0.00 178.44 179.84 1nr1 h GLU 146 N 0.25 0.22 -0.02 1.13 4.81 -1.40 0.00 114.58 119.58 1nr1 h GLU 146 Ca -0.04 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1nr1 h GLU 146 Cb 1.22 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 1nr1 h GLU 146 CO 0.12 0.22 -0.29 0.87 -0.73 0.00 0.00 179.01 179.20 1nr1 h LYS 147 N 0.16 -0.41 -0.08 1.92 1.57 -1.38 0.17 116.57 118.52 1nr1 h LYS 147 Ca 0.06 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1nr1 h LYS 147 Cb 0.06 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1nr1 h LYS 147 CO -0.01 -0.27 -0.23 0.82 -0.57 0.00 0.00 179.45 179.19 1nr1 h ILE 148 N -0.42 0.45 0.00 1.86 2.04 -0.91 -1.65 117.51 118.87 1nr1 h ILE 148 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1nr1 h ILE 148 Cb 0.52 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1nr1 h ILE 148 CO -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 177.83 1nr1 h THR 149 N -0.32 0.29 0.13 -0.27 1.03 -0.61 0.92 112.91 114.08 1nr1 h THR 149 Ca 0.08 -0.43 -0.32 0.00 -0.01 0.00 0.00 66.41 65.74 1nr1 h THR 149 Cb 0.44 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1nr1 h THR 149 CO -0.26 0.06 -1.62 0.03 -0.01 0.00 0.00 175.52 173.72 1nr1 h ARG 150 N 0.00 0.28 -0.07 0.00 3.08 -0.49 -2.56 114.38 114.62 1nr1 h ARG 150 Ca -0.00 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1nr1 h ARG 150 Cb 0.32 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1nr1 h ARG 150 CO 0.01 1.15 0.00 0.00 -1.07 0.00 0.00 179.97 180.06 1nr1 h ARG 151 N 0.08 0.12 -0.89 0.04 3.08 -0.99 -1.62 114.38 114.20 1nr1 h ARG 151 Ca -0.28 -0.04 0.19 0.00 0.07 0.00 0.00 59.98 59.92 1nr1 h ARG 151 Cb 2.04 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.97 1nr1 h ARG 151 CO 0.16 0.38 0.44 0.35 -1.07 0.00 0.00 179.97 180.22 1nr1 h PHE 152 N -0.14 0.75 -0.54 3.04 3.57 -0.92 0.17 116.94 122.86 1nr1 h PHE 152 Ca 0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1nr1 h PHE 152 Cb 0.32 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1nr1 h PHE 152 CO 0.03 0.08 0.11 1.15 -2.23 0.00 0.00 178.31 177.45 1nr1 h THR 153 N 0.53 1.25 -0.32 4.41 2.02 -1.00 -2.09 112.91 117.71 1nr1 h THR 153 Ca 0.52 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1nr1 h THR 153 Cb 0.87 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1nr1 h THR 153 CO -0.44 0.33 0.14 0.24 0.37 0.00 0.00 175.52 176.16 1nr1 h MET 154 N 0.77 0.29 -0.39 6.66 2.86 0.22 0.15 114.93 125.50 1nr1 h MET 154 Ca 0.17 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1nr1 h MET 154 Cb 0.37 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1nr1 h MET 154 CO 0.01 0.19 0.18 0.93 1.06 0.00 0.00 176.91 179.28 1nr1 h GLU 155 N 0.30 0.56 0.28 1.72 3.07 -1.03 -1.25 114.58 118.23 1nr1 h GLU 155 Ca 0.13 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1nr1 h GLU 155 Cb 0.07 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 1nr1 h GLU 155 CO -0.11 0.51 -0.47 -0.07 -1.40 0.00 0.00 179.01 177.47 1nr1 h LEU 156 N 0.48 -1.36 -1.17 1.33 4.07 -1.07 -2.56 115.31 115.04 1nr1 h LEU 156 Ca 0.13 0.13 0.17 0.00 0.08 0.00 0.00 57.88 58.39 1nr1 h LEU 156 Cb 0.14 0.48 -0.09 0.00 1.08 0.00 0.00 40.66 42.28 1nr1 h LEU 156 CO -0.01 -0.57 0.61 0.00 -1.08 0.00 0.00 178.44 177.38 1nr1 h ALA 157 N -0.52 1.78 0.00 1.53 0.00 -0.54 -0.91 119.26 120.59 1nr1 h ALA 157 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nr1 h ALA 157 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nr1 h ALA 157 CO -0.18 -0.09 -0.30 0.87 0.00 0.00 0.00 179.25 179.56 1nr1 h LYS 158 N 0.73 0.00 -0.46 0.00 1.57 -0.98 -3.21 116.57 114.21 1nr1 h LYS 158 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1nr1 h LYS 158 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1nr1 h LYS 158 CO -0.28 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1nr1 n LYS 159 N -3.39 2.69 -1.27 3.15 4.76 -0.49 -4.98 118.16 118.63 1nr1 n LYS 159 Ca 0.00 -2.23 0.00 0.00 -2.87 0.00 0.00 58.31 53.21 1nr1 n LYS 159 Cb 0.50 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.96 0.90 2.37 0.72 0.00 -0.58 -5.00 105.19 104.56 1nr1 n GLY 160 Ca 0.16 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.95 2.77 -0.61 1.61 3.72 -0.47 -4.81 117.46 116.71 1nr1 n PHE 161 Ca 0.00 -2.69 0.00 0.00 -0.05 0.00 0.00 57.45 54.71 1nr1 n PHE 161 Cb 0.30 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1nr1 n PHE 161 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1nr1 n ILE 162 N -0.52 0.00 -1.09 4.37 0.00 -1.24 -4.58 119.36 116.29 1nr1 n ILE 162 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 62.75 62.80 1nr1 n ILE 162 Cb 0.80 0.00 0.13 0.00 0.00 0.00 0.00 39.64 40.57 1nr1 n ILE 162 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1nr1 s GLY 163 N 0.00 1.65 0.33 4.50 0.00 -1.19 -4.44 107.32 108.17 1nr1 s GLY 163 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.91 1nr1 s GLY 163 CO 0.00 0.61 1.95 -0.56 0.00 0.00 0.00 173.10 175.10 1nr1 h PRO 164 N -1.53 0.79 -0.49 2.90 0.13 -1.82 1.42 132.00 133.40 1nr1 h PRO 164 Ca -0.47 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1nr1 h PRO 164 Cb 1.26 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1nr1 h PRO 164 CO 0.51 0.60 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1nr1 n GLY 165 N -1.22 2.71 1.28 1.56 0.00 -1.26 -4.70 105.19 103.56 1nr1 n GLY 165 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.90 0.93 -3.40 -0.61 5.41 -0.86 -4.00 119.36 117.74 1nr1 n ILE 166 Ca 0.17 0.31 -0.03 0.00 1.00 0.00 0.00 62.75 64.19 1nr1 n ILE 166 Cb 0.52 -1.32 -0.05 0.00 -0.71 0.00 0.00 39.64 38.07 1nr1 n ILE 166 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nr1 s ASP 167 N -5.75 -0.64 -0.63 4.38 2.15 0.48 -0.83 116.67 115.83 1nr1 s ASP 167 Ca 0.00 0.84 -0.08 0.00 0.43 0.00 0.00 52.55 53.74 1nr1 s ASP 167 Cb 0.00 1.72 0.16 0.00 -0.30 0.00 0.00 42.92 44.51 1nr1 s ASP 167 CO 0.00 -0.26 0.50 -0.69 -0.17 0.00 0.00 175.17 174.55 1nr1 s VAL 168 N 2.73 4.37 0.09 1.11 1.01 0.38 -3.18 120.40 126.91 1nr1 s VAL 168 Ca 0.09 -2.48 -0.01 0.00 0.00 0.00 0.00 61.98 59.58 1nr1 s VAL 168 Cb -0.14 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1nr1 s VAL 168 CO -0.17 -0.89 0.05 -2.65 0.00 0.00 0.00 175.10 171.43 1nr1 n PRO 169 N 4.04 -0.63 -3.72 2.72 -0.02 -1.22 -3.33 135.00 132.84 1nr1 n PRO 169 Ca 0.05 -0.08 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 1nr1 n PRO 169 Cb 0.41 -0.13 -0.00 0.00 -0.02 0.00 0.00 33.50 33.76 1nr1 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nr1 s ALA 170 N -2.01 -2.17 1.05 3.55 0.00 -1.10 -2.92 121.76 118.18 1nr1 s ALA 170 Ca 0.04 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 1nr1 s ALA 170 Cb -0.01 0.51 0.25 0.00 0.00 0.00 0.00 23.12 23.87 1nr1 s ALA 170 CO 0.03 -1.07 1.30 -2.14 0.00 0.00 0.00 175.76 173.88 1nr1 s PRO 171 N -2.44 -0.10 -0.35 0.00 0.02 -1.26 -0.58 135.00 130.29 1nr1 s PRO 171 Ca 0.17 -0.46 -0.05 0.00 0.02 0.00 0.00 61.00 60.68 1nr1 s PRO 171 Cb 0.03 -1.76 0.19 0.00 0.02 0.00 0.00 34.50 32.98 1nr1 s PRO 171 CO -0.02 -2.90 0.98 0.34 -0.33 0.00 0.00 177.00 175.06 1nr1 s ASP 172 N -4.75 -0.56 0.00 2.53 -1.08 -0.63 -4.14 116.67 108.03 1nr1 s ASP 172 Ca 0.76 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.41 1nr1 s ASP 172 Cb -0.03 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1nr1 s ASP 172 CO 0.54 -0.05 0.00 0.23 0.52 0.00 0.00 175.17 176.41 1nr1 n MET 173 N 3.54 0.00 0.25 4.34 2.81 -1.26 -2.43 117.12 124.37 1nr1 n MET 173 Ca 0.08 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.12 1nr1 n MET 173 Cb 0.62 0.00 0.66 0.00 -0.71 0.00 0.00 33.22 33.79 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 0.00 -3.92 7.83 4.64 -1.88 -3.40 113.55 116.82 1nr1 h SER 174 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1nr1 h SER 174 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1nr1 h SER 174 CO 0.00 0.00 -0.77 0.42 -0.87 0.00 0.00 176.83 175.61 1nr1 s THR 175 N -4.21 0.55 0.00 2.95 -4.23 -1.02 -4.67 115.64 105.01 1nr1 s THR 175 Ca -0.03 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1nr1 s THR 175 Cb 0.09 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1nr1 s THR 175 CO 0.30 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 1nr1 n GLY 176 N 3.01 5.25 0.21 3.99 0.00 -1.26 -1.61 105.19 114.79 1nr1 n GLY 176 Ca -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 1nr1 n GLY 176 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nr1 h GLU 177 N 0.00 0.26 0.17 1.61 4.11 -1.96 -2.71 114.58 116.06 1nr1 h GLU 177 Ca 0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 1nr1 h GLU 177 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nr1 h GLU 177 CO 0.00 0.56 -0.23 0.00 0.07 0.00 0.00 179.01 179.41 1nr1 h ARG 178 N 0.23 -0.40 -1.23 1.06 3.08 -1.96 0.13 114.38 115.29 1nr1 h ARG 178 Ca 0.03 0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.46 1nr1 h ARG 178 Cb 0.70 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 1nr1 h ARG 178 CO 0.05 -0.27 0.85 0.93 -1.07 0.00 0.00 179.97 180.46 1nr1 h GLU 179 N -0.42 0.12 0.07 0.04 3.07 -1.94 0.35 114.58 115.88 1nr1 h GLU 179 Ca -0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1nr1 h GLU 179 Cb 0.38 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1nr1 h GLU 179 CO -0.06 0.08 -0.03 0.52 -1.40 0.00 0.00 179.01 178.12 1nr1 h MET 180 N 0.13 -0.09 -0.82 2.33 2.86 -1.02 -2.27 114.93 116.05 1nr1 h MET 180 Ca 0.64 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.48 1nr1 h MET 180 Cb 2.21 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 33.77 1nr1 h MET 180 CO -0.15 0.48 0.24 1.03 1.06 0.00 0.00 176.91 179.58 1nr1 h SER 181 N -0.80 0.08 0.50 1.22 0.87 0.13 0.32 113.55 115.86 1nr1 h SER 181 Ca -0.01 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1nr1 h SER 181 Cb 0.61 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1nr1 h SER 181 CO 0.02 -0.06 -0.31 -0.50 -0.53 0.00 0.00 176.83 175.44 1nr1 h TRP 182 N 0.28 -0.81 -0.98 2.24 6.55 -1.30 0.25 115.95 122.18 1nr1 h TRP 182 Ca 0.49 -0.01 0.13 0.00 0.95 0.00 0.00 58.89 60.45 1nr1 h TRP 182 Cb 0.91 0.29 -0.08 0.00 -0.86 0.00 0.00 29.16 29.41 1nr1 h TRP 182 CO -0.24 -0.47 0.62 0.82 -1.05 0.00 0.00 178.44 178.12 1nr1 h ILE 183 N -0.77 0.89 0.06 1.49 2.04 -0.33 0.16 117.51 121.06 1nr1 h ILE 183 Ca -0.06 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1nr1 h ILE 183 Cb 0.63 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nr1 h ILE 183 CO 0.06 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.35 1nr1 h ALA 184 N 1.56 -0.08 0.18 1.87 0.00 -0.11 -2.82 119.26 119.85 1nr1 h ALA 184 Ca 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1nr1 h ALA 184 Cb 0.55 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nr1 h ALA 184 CO -0.26 -0.35 -0.10 0.22 0.00 0.00 0.00 179.25 178.76 1nr1 h ASP 185 N -0.46 -0.24 -0.16 0.00 1.82 0.44 -1.29 116.42 116.53 1nr1 h ASP 185 Ca -0.01 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1nr1 h ASP 185 Cb 0.41 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1nr1 h ASP 185 CO 0.01 -0.16 0.28 0.74 -1.61 0.00 0.00 179.24 178.50 1nr1 h THR 186 N -0.26 0.24 0.12 2.25 2.02 -0.77 -0.02 112.91 116.49 1nr1 h THR 186 Ca -0.02 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.80 1nr1 h THR 186 Cb 0.21 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1nr1 h THR 186 CO 0.02 0.00 -1.95 0.22 0.37 0.00 0.00 175.52 174.18 1nr1 h TYR 187 N 0.00 0.45 -0.33 3.16 3.20 -1.18 -3.18 116.97 119.10 1nr1 h TYR 187 Ca 0.07 -0.33 -0.13 0.00 3.14 0.00 0.00 58.73 61.48 1nr1 h TYR 187 Cb 0.64 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1nr1 h TYR 187 CO 0.00 1.71 -0.34 0.00 -1.64 0.00 0.00 178.16 177.88 1nr1 h ALA 188 N 0.17 0.78 0.00 1.82 0.00 0.01 0.33 119.26 122.37 1nr1 h ALA 188 Ca -0.40 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1nr1 h ALA 188 Cb 2.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1nr1 h ALA 188 CO 0.10 0.65 0.00 0.77 0.00 0.00 0.00 179.25 180.77 1nr1 h SER 189 N 0.61 0.00 0.00 0.00 0.02 -1.23 -2.69 113.55 110.26 1nr1 h SER 189 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1nr1 h SER 189 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1nr1 h SER 189 CO 0.08 0.00 0.00 0.41 -1.14 0.00 0.00 176.83 176.18 1nr1 n THR 190 N -2.73 0.00 0.08 -2.27 -1.04 -1.18 -4.75 114.28 102.39 1nr1 n THR 190 Ca 0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.19 1nr1 n THR 190 Cb 0.48 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.62 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 0.87 -0.58 12.58 1.08 -1.77 -2.68 117.51 127.01 1nr1 h ILE 191 Ca 0.00 -0.03 -0.19 0.00 -0.39 0.00 0.00 64.86 64.24 1nr1 h ILE 191 Cb 0.00 0.78 -0.12 0.00 -3.07 0.00 0.00 36.82 34.41 1nr1 h ILE 191 CO 0.00 0.02 0.18 0.61 -0.69 0.00 0.00 178.15 178.27 1nr1 n GLY 192 N -1.58 4.09 0.27 5.37 0.00 0.12 -4.63 105.19 108.83 1nr1 n GLY 192 Ca 0.05 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 1.97 0.00 -0.57 1.61 6.17 -1.12 -1.46 115.15 121.76 1nr1 h HIS 193 Ca 0.24 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.29 1nr1 h HIS 193 Cb 2.07 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.98 1nr1 h HIS 193 CO 1.10 0.05 0.04 0.66 0.71 0.00 0.00 177.93 180.49 1nr1 n TYR 194 N -4.01 2.03 -3.72 5.26 4.02 -1.26 -4.88 117.16 114.59 1nr1 n TYR 194 Ca -0.03 -0.82 -0.38 0.00 -0.01 0.00 0.00 57.90 56.67 1nr1 n TYR 194 Cb 0.14 -0.52 -0.12 0.00 -0.02 0.00 0.00 39.34 38.82 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 -0.95 5.39 0.00 7.72 3.68 -0.55 -4.95 116.67 127.01 1nr1 s ASP 195 Ca 0.54 -1.32 0.00 0.00 2.13 0.00 0.00 52.55 53.90 1nr1 s ASP 195 Cb 0.41 -1.89 0.00 0.00 -1.45 0.00 0.00 42.92 39.99 1nr1 s ASP 195 CO 0.15 -0.40 0.85 0.00 0.13 0.00 0.00 175.17 175.90 1nr1 n ILE 196 N 4.82 1.43 -0.20 4.11 3.06 -1.26 0.47 119.36 131.79 1nr1 n ILE 196 Ca -0.11 0.41 0.01 0.00 -2.50 0.00 0.00 62.75 60.56 1nr1 n ILE 196 Cb 0.44 -1.41 0.02 0.00 0.54 0.00 0.00 39.64 39.23 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 -1.35 1.97 -0.01 9.51 3.02 -1.26 -4.78 115.26 122.36 1nr1 n ASN 197 Ca 0.00 -2.13 0.23 0.00 -0.03 0.00 0.00 54.58 52.66 1nr1 n ASN 197 Cb 0.05 -0.06 0.65 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.00 2.40 -0.00 5.41 0.00 -0.24 0.54 119.26 127.37 1nr1 h ALA 198 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nr1 h ALA 198 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nr1 h ALA 198 CO 0.00 -1.02 -0.00 0.72 0.00 0.00 0.00 179.25 178.94 1nr1 n HIS 199 N -3.55 0.00 1.62 0.00 8.25 -1.26 -2.90 115.22 117.38 1nr1 n HIS 199 Ca 0.13 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.73 1nr1 n HIS 199 Cb 0.93 -0.47 0.69 0.00 1.12 0.00 0.00 29.99 32.26 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 -1.47 2.69 -0.02 -1.41 0.00 0.19 -3.99 120.51 116.50 1nr1 n ALA 200 Ca 0.08 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.27 1nr1 n ALA 200 Cb 0.33 -1.34 0.42 0.00 0.00 0.00 0.00 19.45 18.86 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 -5.50 0.57 0.39 0.00 0.11 -1.26 -3.42 120.40 111.29 1nr1 s VAL 202 Ca -0.08 -1.92 0.08 0.00 -2.93 0.00 0.00 61.98 57.13 1nr1 s VAL 202 Cb 0.18 -1.73 -0.07 0.00 -1.53 0.00 0.00 36.38 33.23 1nr1 s VAL 202 CO 0.74 -0.82 0.04 0.42 -3.33 0.00 0.00 175.10 172.15 1nr1 s THR 203 N -3.71 2.21 0.00 5.04 -4.23 -1.15 -4.75 115.64 109.04 1nr1 s THR 203 Ca 0.13 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1nr1 s THR 203 Cb 0.06 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1nr1 s THR 203 CO -0.04 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1nr1 n GLY 204 N -1.02 0.65 3.84 3.99 0.00 -1.26 -4.38 105.19 107.01 1nr1 n GLY 204 Ca -0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.85 3.18 0.71 1.61 1.02 -1.26 -4.13 119.74 120.01 1nr1 s LYS 205 Ca 0.00 0.84 -0.12 0.00 0.02 0.00 0.00 55.97 56.71 1nr1 s LYS 205 Cb 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1nr1 s LYS 205 CO 0.00 -0.90 1.09 -2.14 -0.92 0.00 0.00 175.35 172.48 1nr1 s PRO 206 N -5.12 2.64 0.10 -1.68 0.02 -1.26 -3.95 135.00 125.75 1nr1 s PRO 206 Ca 0.57 1.18 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 1nr1 s PRO 206 Cb -0.13 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 1nr1 s PRO 206 CO 0.54 -1.35 1.46 0.82 -0.33 0.00 0.00 177.00 178.15 1nr1 h ILE 207 N -0.60 0.00 0.00 2.83 1.08 -1.90 0.41 117.51 119.33 1nr1 h ILE 207 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1nr1 h ILE 207 Cb 1.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1nr1 h ILE 207 CO 0.54 0.00 0.57 0.77 -0.69 0.00 0.00 178.15 179.33 1nr1 h SER 208 N -0.44 0.00 -0.29 1.72 4.64 -1.92 0.77 113.55 118.03 1nr1 h SER 208 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1nr1 h SER 208 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1nr1 h SER 208 CO -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.54 1nr1 n GLN 209 N -2.33 2.18 0.00 4.77 1.13 0.48 -4.92 117.38 118.70 1nr1 n GLN 209 Ca -0.01 -1.89 0.00 0.00 -1.94 0.00 0.00 57.00 53.16 1nr1 n GLN 209 Cb 0.59 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.62 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 0.77 1.27 1.08 1.08 0.00 0.26 -4.83 105.19 104.81 1nr1 n GLY 210 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1nr1 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nr1 n GLY 211 N -1.29 -3.17 3.30 -0.02 0.00 0.12 -4.71 105.19 99.42 1nr1 n GLY 211 Ca 0.00 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 1nr1 n GLY 211 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nr1 s ILE 212 N -1.50 1.74 0.17 -0.61 2.07 -1.26 -4.77 121.20 117.04 1nr1 s ILE 212 Ca 0.22 -1.73 -0.16 0.00 -1.41 0.00 0.00 60.65 57.58 1nr1 s ILE 212 Cb -0.03 -1.69 -0.07 0.00 0.13 0.00 0.00 42.46 40.80 1nr1 s ILE 212 CO 0.18 -0.20 0.60 -1.00 -1.91 0.00 0.00 174.94 172.61 1nr1 s HIS 213 N -1.64 3.61 0.00 3.50 3.76 -1.26 -4.11 115.29 119.15 1nr1 s HIS 213 Ca 0.11 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1nr1 s HIS 213 Cb -0.08 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.17 1nr1 s HIS 213 CO 0.05 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.75 1nr1 n GLY 214 N 0.75 0.92 0.01 -2.22 0.00 -1.26 -4.15 105.19 99.23 1nr1 n GLY 214 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 -0.53 1.61 2.43 -2.00 -3.19 114.38 112.71 1nr1 h ARG 215 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1nr1 h ARG 215 Cb 0.16 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 1nr1 h ARG 215 CO 0.00 0.00 -0.25 -0.89 -1.51 0.00 0.00 179.97 177.32 1nr1 n ILE 216 N -2.47 -0.31 0.45 1.20 2.08 -1.26 -0.23 119.36 118.81 1nr1 n ILE 216 Ca -0.00 1.25 -0.19 0.00 0.56 0.00 0.00 62.75 64.37 1nr1 n ILE 216 Cb 0.01 -1.61 -0.09 0.00 -0.75 0.00 0.00 39.64 37.20 1nr1 n ILE 216 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1nr1 h SER 217 N 0.00 -0.96 0.00 4.38 4.64 -1.98 -3.40 113.55 116.24 1nr1 h SER 217 Ca 0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1nr1 h SER 217 Cb 0.27 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1nr1 h SER 217 CO -0.51 -0.66 0.00 0.00 -0.87 0.00 0.00 176.83 174.79 1nr1 n ALA 218 N -2.60 0.00 -0.25 5.18 0.00 0.68 -0.12 120.51 123.41 1nr1 n ALA 218 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1nr1 n ALA 218 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1nr1 n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nr1 h THR 219 N 0.00 0.00 -0.01 0.00 2.02 -1.77 0.36 112.91 113.51 1nr1 h THR 219 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nr1 h THR 219 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1nr1 h THR 219 CO 0.00 0.00 -0.01 1.23 0.37 0.00 0.00 175.52 177.11 1nr1 h GLY 220 N -0.07 -2.23 -0.93 2.16 0.00 -0.75 0.26 103.07 101.52 1nr1 h GLY 220 Ca 0.10 0.96 0.30 0.00 0.00 0.00 0.00 47.33 48.69 1nr1 h GLY 220 CO -0.60 -0.85 0.19 -2.13 0.00 0.00 0.00 176.54 173.15 1nr1 n ARG 221 N -2.85 -0.07 -0.15 4.80 0.63 -0.91 0.24 116.66 118.36 1nr1 n ARG 221 Ca -0.00 1.35 -0.06 0.00 -0.92 0.00 0.00 57.85 58.22 1nr1 n ARG 221 Cb 0.00 -2.24 0.03 0.00 0.45 0.00 0.00 32.46 30.70 1nr1 n ARG 221 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nr1 h GLY 222 N 0.00 0.65 0.59 5.14 0.00 0.30 -1.09 103.07 108.65 1nr1 h GLY 222 Ca 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1nr1 h GLY 222 CO -0.82 0.16 -0.48 -2.08 0.00 0.00 0.00 176.54 173.33 1nr1 h VAL 223 N 0.53 0.05 -0.70 4.60 2.07 0.51 -1.40 116.25 121.91 1nr1 h VAL 223 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1nr1 h VAL 223 Cb 0.03 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 29.76 1nr1 h VAL 223 CO -0.09 0.00 -0.48 0.15 0.02 0.00 0.00 177.57 177.16 1nr1 h PHE 224 N -1.01 -1.54 -0.96 1.57 3.04 -0.44 0.28 116.94 117.89 1nr1 h PHE 224 Ca -0.06 0.10 0.10 0.00 3.98 0.00 0.00 57.97 62.09 1nr1 h PHE 224 Cb 0.86 0.76 -0.08 0.00 2.56 0.00 0.00 35.95 40.06 1nr1 h PHE 224 CO -0.22 -0.33 0.59 0.45 -2.02 0.00 0.00 178.31 176.78 1nr1 h HIS 225 N -0.08 1.08 -0.96 0.41 3.86 -1.08 0.11 115.15 118.48 1nr1 h HIS 225 Ca 0.11 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1nr1 h HIS 225 Cb 0.38 -0.34 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 1nr1 h HIS 225 CO -0.94 0.46 0.63 0.78 0.86 0.00 0.00 177.93 179.72 1nr1 h GLY 226 N 0.98 1.41 1.77 2.45 0.00 0.61 0.45 103.07 110.73 1nr1 h GLY 226 Ca 0.46 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1nr1 h GLY 226 CO -0.24 0.40 -0.68 -2.22 0.00 0.00 0.00 176.54 173.80 1nr1 h ILE 227 N 1.20 1.42 0.40 2.60 2.04 0.79 -3.26 117.51 122.70 1nr1 h ILE 227 Ca 0.39 -2.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 1nr1 h ILE 227 Cb 0.03 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1nr1 h ILE 227 CO -0.12 0.64 -0.19 -0.08 0.00 0.00 0.00 178.15 178.39 1nr1 h GLU 228 N 0.16 -0.52 -1.19 2.37 4.81 0.10 -0.18 114.58 120.14 1nr1 h GLU 228 Ca -0.02 0.04 0.36 0.00 -0.13 0.00 0.00 59.36 59.61 1nr1 h GLU 228 Cb 1.22 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.60 1nr1 h GLU 228 CO 0.10 -0.20 0.77 -0.91 -0.73 0.00 0.00 179.01 178.04 1nr1 h ASN 229 N -0.94 0.33 0.00 1.04 2.35 -0.27 -0.61 115.58 117.48 1nr1 h ASN 229 Ca -0.05 0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1nr1 h ASN 229 Cb 0.55 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1nr1 h ASN 229 CO 0.09 -0.06 -0.32 -0.26 -1.65 0.00 0.00 177.43 175.23 1nr1 h PHE 230 N 0.22 0.00 -0.91 1.19 -1.00 -1.58 -3.31 116.94 111.54 1nr1 h PHE 230 Ca 0.71 0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.67 1nr1 h PHE 230 Cb 2.09 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 41.58 1nr1 h PHE 230 CO -0.00 1.10 0.59 0.97 -1.61 0.00 0.00 178.31 179.35 1nr1 h ILE 231 N -1.00 0.76 -0.16 -0.55 6.09 -0.19 0.33 117.51 122.79 1nr1 h ILE 231 Ca -0.09 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1nr1 h ILE 231 Cb 1.05 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1nr1 h ILE 231 CO -0.05 0.11 0.00 0.59 -3.07 0.00 0.00 178.15 175.73 1nr1 n ASN 232 N -4.58 1.23 -4.78 2.19 5.03 -0.32 -4.76 115.26 109.28 1nr1 n ASN 232 Ca 0.19 -1.73 -0.38 0.00 0.87 0.00 0.00 54.58 53.53 1nr1 n ASN 232 Cb 0.56 -0.10 -0.06 0.00 -1.02 0.00 0.00 39.78 39.16 1nr1 n ASN 232 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nr1 s GLU 233 N -1.80 4.14 -0.05 3.52 2.56 0.12 -4.98 118.70 122.21 1nr1 s GLU 233 Ca 0.27 0.40 -0.13 0.00 0.00 0.00 0.00 54.97 55.50 1nr1 s GLU 233 Cb 0.14 -3.33 -0.08 0.00 2.00 0.00 0.00 34.13 32.86 1nr1 s GLU 233 CO 0.21 0.43 0.54 0.00 -0.56 0.00 0.00 175.26 175.88 1nr1 h ALA 234 N 5.73 -0.42 -0.82 6.30 0.00 -1.85 -2.80 119.26 125.40 1nr1 h ALA 234 Ca -0.46 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.43 1nr1 h ALA 234 Cb 1.20 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1nr1 h ALA 234 CO 0.69 -0.40 -0.42 0.43 0.00 0.00 0.00 179.25 179.56 1nr1 n SER 235 N -5.05 -0.73 -0.10 0.00 7.64 -1.26 -0.92 113.62 113.19 1nr1 n SER 235 Ca -0.06 1.46 -0.12 0.00 1.01 0.00 0.00 58.87 61.16 1nr1 n SER 235 Cb 0.18 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.73 0.00 1.43 -1.99 -1.89 -3.11 116.97 112.14 1nr1 h TYR 236 Ca 0.20 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1nr1 h TYR 236 Cb 0.40 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.96 1nr1 h TYR 236 CO -0.80 0.86 -0.10 0.52 -0.00 0.00 0.00 178.16 178.64 1nr1 h MET 237 N 0.39 0.00 0.34 4.88 2.86 -0.84 -2.87 114.93 119.70 1nr1 h MET 237 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1nr1 h MET 237 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1nr1 h MET 237 CO 0.04 0.10 -0.16 0.77 1.06 0.00 0.00 176.91 178.72 1nr1 h SER 238 N 0.00 -0.39 0.00 1.22 0.02 -0.97 3.11 113.55 116.54 1nr1 h SER 238 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1nr1 h SER 238 Cb 0.24 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1nr1 h SER 238 CO 0.01 -0.22 0.00 -0.38 -1.14 0.00 0.00 176.83 175.11 1nr1 n ILE 239 N -3.58 0.00 -0.52 3.27 5.41 -1.09 0.47 119.36 123.33 1nr1 n ILE 239 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1nr1 n ILE 239 Cb 0.18 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 1nr1 n ILE 239 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1nr1 n LEU 240 N -0.43 0.11 -3.30 1.39 4.77 -1.16 -4.98 117.00 113.40 1nr1 n LEU 240 Ca 0.00 -0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 1nr1 n LEU 240 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1nr1 n LEU 240 CO 0.00 0.03 0.11 0.61 -1.33 0.00 0.00 177.39 176.81 1nr1 n GLY 241 N 0.06 -0.32 0.00 -0.72 0.00 1.70 -5.01 105.19 100.90 1nr1 n GLY 241 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.99 2.01 -3.60 1.61 2.00 1.03 -4.69 117.12 111.49 1nr1 n MET 242 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.24 1nr1 n MET 242 Cb 0.65 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.93 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 -0.30 -5.01 -1.95 2.03 5.66 -1.26 -4.56 114.28 108.88 1nr1 n THR 243 Ca 0.00 -0.49 -0.29 0.00 -3.05 0.00 0.00 64.05 60.22 1nr1 n THR 243 Cb 0.00 -4.23 0.15 0.00 -1.55 0.00 0.00 70.33 64.69 1nr1 n THR 243 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nr1 s PRO 244 N -5.75 1.16 -0.23 1.09 0.02 -1.26 -4.98 135.00 125.05 1nr1 s PRO 244 Ca 0.01 -0.25 -0.17 0.00 0.02 0.00 0.00 61.00 60.61 1nr1 s PRO 244 Cb -0.01 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 1nr1 s PRO 244 CO 0.78 -2.08 -0.11 0.41 -0.33 0.00 0.00 177.00 175.67 1nr1 n GLY 245 N -3.56 -0.66 0.09 0.52 0.00 -1.26 -3.38 105.19 96.93 1nr1 n GLY 245 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.37 0.70 0.88 1.61 7.35 -1.26 -3.93 117.46 118.44 1nr1 n PHE 246 Ca -0.38 0.20 0.10 0.00 -0.76 0.00 0.00 57.45 56.61 1nr1 n PHE 246 Cb 0.72 -0.83 0.05 0.00 0.35 0.00 0.00 39.48 39.77 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 1.21 0.39 0.00 7.13 0.00 -1.26 -4.91 105.19 107.75 1nr1 n GLY 247 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.63 0.00 -3.67 1.61 4.64 -1.22 -4.24 116.55 114.30 1nr1 n ASP 248 Ca 0.10 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.37 1nr1 n ASP 248 Cb 0.48 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.42 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 -0.02 0.12 -0.26 -0.67 1.02 -1.26 -4.42 119.74 114.25 1nr1 s LYS 249 Ca 0.00 0.70 -0.03 0.00 0.02 0.00 0.00 55.97 56.66 1nr1 s LYS 249 Cb 0.00 -0.09 0.15 0.00 -0.52 0.00 0.00 37.83 37.37 1nr1 s LYS 249 CO 0.00 -0.29 0.46 0.95 -0.92 0.00 0.00 175.35 175.56 1nr1 s THR 250 N 2.35 -0.75 0.25 2.17 -4.23 -1.26 -1.97 115.64 112.20 1nr1 s THR 250 Ca 0.01 -0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1nr1 s THR 250 Cb -0.12 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 1nr1 s THR 250 CO -0.08 -0.06 -0.20 0.72 -0.54 0.00 0.00 174.62 174.46 1nr1 s PHE 251 N 2.67 2.21 -0.14 3.99 -0.71 0.76 -0.25 117.98 126.51 1nr1 s PHE 251 Ca 0.14 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.67 1nr1 s PHE 251 Cb -0.15 -1.00 0.02 0.00 -1.21 0.00 0.00 43.02 40.68 1nr1 s PHE 251 CO -0.17 0.62 -0.17 0.08 -1.34 0.00 0.00 175.22 174.23 1nr1 s VAL 252 N -2.34 1.73 -0.14 -2.49 1.01 -0.55 -1.13 120.40 116.49 1nr1 s VAL 252 Ca 0.26 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1nr1 s VAL 252 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1nr1 s VAL 252 CO 0.13 0.49 0.02 0.54 0.00 0.00 0.00 175.10 176.27 1nr1 s VAL 253 N 1.12 4.44 -0.32 2.92 0.11 -0.61 -0.46 120.40 127.61 1nr1 s VAL 253 Ca -0.02 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.79 1nr1 s VAL 253 Cb -0.14 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.79 1nr1 s VAL 253 CO -0.06 0.53 0.09 -1.58 -3.33 0.00 0.00 175.10 170.76 1nr1 s GLN 254 N -0.14 2.87 0.00 1.54 0.74 -0.92 -1.53 119.66 122.22 1nr1 s GLN 254 Ca 0.05 -1.01 0.00 0.00 0.05 0.00 0.00 55.36 54.46 1nr1 s GLN 254 Cb -0.12 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1nr1 s GLN 254 CO 0.02 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.62 1nr1 n GLY 255 N 4.85 1.81 2.64 2.59 0.00 -0.87 0.86 105.19 117.06 1nr1 n GLY 255 Ca -0.14 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 2.32 3.31 -3.48 1.61 -0.00 -1.25 -4.07 117.46 115.91 1nr1 n PHE 256 Ca 0.00 -2.92 -0.22 0.00 -0.00 0.00 0.00 57.45 54.31 1nr1 n PHE 256 Cb 0.00 -0.46 0.01 0.00 -0.00 0.00 0.00 39.48 39.04 1nr1 n PHE 256 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1nr1 s GLY 257 N -2.76 2.08 0.00 7.13 0.00 -1.26 -4.71 107.32 107.81 1nr1 s GLY 257 Ca 0.49 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1nr1 s GLY 257 CO -0.25 -1.78 0.24 -2.01 0.00 0.00 0.00 173.10 169.29 1nr1 n ASN 258 N -1.90 0.00 -0.29 1.64 5.15 -1.26 -0.85 115.26 117.75 1nr1 n ASN 258 Ca 0.06 0.24 0.03 0.00 -0.60 0.00 0.00 54.58 54.31 1nr1 n ASN 258 Cb 0.63 -0.10 0.17 0.00 -0.53 0.00 0.00 39.78 39.95 1nr1 n ASN 258 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1nr1 h VAL 259 N 0.00 0.88 0.57 3.44 3.04 -1.92 -2.13 116.25 120.14 1nr1 h VAL 259 Ca 0.00 -0.26 -0.03 0.00 -1.01 0.00 0.00 66.70 65.40 1nr1 h VAL 259 Cb 0.00 0.06 0.01 0.00 -2.01 0.00 0.00 31.29 29.35 1nr1 h VAL 259 CO 0.00 0.14 -0.28 1.23 -1.01 0.00 0.00 177.57 177.65 1nr1 h GLY 260 N 0.75 -0.80 -0.83 3.17 0.00 -1.14 -1.61 103.07 102.61 1nr1 h GLY 260 Ca 0.40 0.30 0.10 0.00 0.00 0.00 0.00 47.33 48.13 1nr1 h GLY 260 CO -0.26 -0.29 -0.41 -0.10 0.00 0.00 0.00 176.54 175.47 1nr1 n LEU 261 N -4.12 -0.72 0.21 3.11 7.94 -0.73 0.67 117.00 123.36 1nr1 n LEU 261 Ca -0.10 1.46 0.09 0.00 -1.11 0.00 0.00 56.01 56.35 1nr1 n LEU 261 Cb 0.30 -0.25 0.42 0.00 0.53 0.00 0.00 43.42 44.42 1nr1 n LEU 261 CO 0.23 -1.24 0.77 0.45 -1.11 0.00 0.00 177.39 176.49 1nr1 h HIS 262 N 0.00 0.00 0.24 1.96 3.86 -1.46 -2.01 115.15 117.75 1nr1 h HIS 262 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1nr1 h HIS 262 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1nr1 h HIS 262 CO -0.79 0.27 -0.12 1.03 0.86 0.00 0.00 177.93 179.18 1nr1 h SER 263 N 0.00 -0.27 -0.20 2.45 0.87 0.13 -2.49 113.55 114.04 1nr1 h SER 263 Ca -0.00 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1nr1 h SER 263 Cb 0.79 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.76 1nr1 h SER 263 CO 0.03 0.02 -0.27 -0.03 -0.53 0.00 0.00 176.83 176.06 1nr1 h MET 264 N -0.57 -0.29 -0.41 2.24 1.85 -0.45 -1.39 114.93 115.92 1nr1 h MET 264 Ca -0.03 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.11 1nr1 h MET 264 Cb 0.42 0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.46 1nr1 h MET 264 CO 0.05 -0.19 -0.28 0.00 -0.40 0.00 0.00 176.91 176.09 1nr1 h ARG 265 N -0.30 -0.05 -0.74 0.39 2.47 -1.30 0.14 114.38 115.00 1nr1 h ARG 265 Ca 0.12 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1nr1 h ARG 265 Cb 0.48 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 1nr1 h ARG 265 CO -0.37 -0.03 0.29 1.88 0.56 0.00 0.00 179.97 182.30 1nr1 h TYR 266 N -0.05 1.14 0.15 3.04 0.05 -1.33 -0.50 116.97 119.47 1nr1 h TYR 266 Ca 0.07 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.76 1nr1 h TYR 266 Cb 0.22 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 1nr1 h TYR 266 CO -0.90 0.88 -0.45 -0.07 -1.05 0.00 0.00 178.16 176.57 1nr1 h LEU 267 N 1.08 -1.34 -0.44 3.88 -0.00 -0.36 -2.80 115.31 115.33 1nr1 h LEU 267 Ca 0.25 0.14 0.06 0.00 -0.00 0.00 0.00 57.88 58.33 1nr1 h LEU 267 Cb 0.23 0.49 -0.09 0.00 -0.00 0.00 0.00 40.66 41.28 1nr1 h LEU 267 CO -0.02 -0.49 -0.49 -0.74 -0.00 0.00 0.00 178.44 176.70 1nr1 h HIS 268 N -0.67 -1.47 0.00 1.13 2.76 -0.54 -0.31 115.15 116.05 1nr1 h HIS 268 Ca -0.01 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1nr1 h HIS 268 Cb 0.66 0.70 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1nr1 h HIS 268 CO -0.40 -0.46 0.26 -2.13 -1.30 0.00 0.00 177.93 173.89 1nr1 n ARG 269 N -5.40 0.07 -0.21 5.26 0.63 -0.21 -1.16 116.66 115.63 1nr1 n ARG 269 Ca -0.01 0.50 0.06 0.00 -0.92 0.00 0.00 57.85 57.47 1nr1 n ARG 269 Cb 0.35 -1.97 0.16 0.00 0.45 0.00 0.00 32.46 31.44 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 -1.84 0.47 -0.35 -0.14 0.99 -0.13 -4.99 117.46 111.46 1nr1 n PHE 270 Ca -0.01 -0.68 0.00 0.00 -0.00 0.00 0.00 57.45 56.76 1nr1 n PHE 270 Cb 0.27 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 1nr1 n PHE 270 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nr1 n GLY 271 N -0.24 0.57 2.92 1.37 0.00 -0.31 -5.10 105.19 104.41 1nr1 n GLY 271 Ca 0.13 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.53 0.22 -0.09 4.61 0.00 -1.24 -4.63 121.76 119.10 1nr1 s ALA 272 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1nr1 s ALA 272 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1nr1 s ALA 272 CO 0.00 0.04 0.41 0.21 0.00 0.00 0.00 175.76 176.42 1nr1 s LYS 273 N -0.21 4.20 -0.44 0.00 2.20 -0.83 -4.21 119.74 120.44 1nr1 s LYS 273 Ca -0.00 0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 55.78 1nr1 s LYS 273 Cb -0.02 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1nr1 s LYS 273 CO -0.00 0.33 0.47 0.00 -0.36 0.00 0.00 175.35 175.79 1nr1 h ILE 275 N 5.76 0.71 -2.28 0.00 2.10 -1.38 0.06 117.51 122.49 1nr1 h ILE 275 Ca -0.27 -2.20 -0.07 0.00 1.08 0.00 0.00 64.86 63.40 1nr1 h ILE 275 Cb 1.11 2.23 -0.19 0.00 -1.09 0.00 0.00 36.82 38.87 1nr1 h ILE 275 CO 0.84 0.41 0.06 0.00 -1.08 0.00 0.00 178.15 178.38 1nr1 s ALA 276 N -2.91 -1.51 -0.03 0.18 0.00 -1.25 -2.11 121.76 114.13 1nr1 s ALA 276 Ca -0.01 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 1nr1 s ALA 276 Cb 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1nr1 s ALA 276 CO 0.79 -0.34 0.06 0.08 0.00 0.00 0.00 175.76 176.35 1nr1 s VAL 277 N -1.13 -0.06 0.45 0.00 1.01 -1.25 -1.57 120.40 117.85 1nr1 s VAL 277 Ca -0.11 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1nr1 s VAL 277 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1nr1 s VAL 277 CO 0.08 0.09 0.25 -0.83 0.00 0.00 0.00 175.10 174.69 1nr1 s GLY 278 N 1.13 2.36 0.29 4.51 0.00 -0.58 -0.79 107.32 114.24 1nr1 s GLY 278 Ca -0.09 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.78 1nr1 s GLY 278 CO -0.04 -1.90 0.53 -0.54 0.00 0.00 0.00 173.10 171.15 1nr1 s GLU 279 N -4.03 1.74 0.61 2.90 0.41 -0.95 -2.05 118.70 117.33 1nr1 s GLU 279 Ca 0.38 -1.39 0.32 0.00 -0.41 0.00 0.00 54.97 53.86 1nr1 s GLU 279 Cb 0.01 0.49 1.80 0.00 -1.78 0.00 0.00 34.13 34.65 1nr1 s GLU 279 CO 0.22 -0.74 2.14 0.66 -0.49 0.00 0.00 175.26 177.04 1nr1 h SER 280 N 2.17 0.00 0.00 -0.19 4.64 -2.01 -3.38 113.55 114.78 1nr1 h SER 280 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1nr1 h SER 280 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1nr1 h SER 280 CO 0.36 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.79 1nr1 n ASP 281 N -3.59 0.00 -2.08 4.97 8.00 -1.26 -5.10 116.55 117.50 1nr1 n ASP 281 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nr1 n ASP 281 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.03 3.27 0.44 0.00 -1.26 -5.14 105.19 108.52 1nr1 n GLY 282 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 1.06 0.44 1.61 0.01 -1.26 -2.24 113.70 112.32 1nr1 s SER 283 Ca 0.00 -1.60 0.06 0.00 1.31 0.00 0.00 55.95 55.72 1nr1 s SER 283 Cb 0.00 0.50 -0.05 0.00 0.21 0.00 0.00 66.02 66.67 1nr1 s SER 283 CO 0.00 -0.99 0.08 -0.63 0.41 0.00 0.00 173.24 172.11 1nr1 s ILE 284 N -3.70 1.89 -0.24 1.44 1.01 0.03 -3.52 121.20 118.11 1nr1 s ILE 284 Ca 0.39 -1.89 -0.29 0.00 0.00 0.00 0.00 60.65 58.87 1nr1 s ILE 284 Cb 0.04 -2.78 0.16 0.00 0.01 0.00 0.00 42.46 39.89 1nr1 s ILE 284 CO 0.21 0.00 1.21 0.86 0.00 0.00 0.00 174.94 177.22 1nr1 s TRP 285 N -2.72 -0.19 0.00 3.97 -0.11 -1.18 -4.11 118.94 114.61 1nr1 s TRP 285 Ca 0.31 0.34 0.00 0.00 1.22 0.00 0.00 56.10 57.96 1nr1 s TRP 285 Cb 0.06 0.47 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 1nr1 s TRP 285 CO 0.16 -0.16 0.00 -1.71 -4.62 0.00 0.00 176.95 170.62 1nr1 n ASN 286 N 0.73 0.00 0.00 5.86 2.85 -0.90 -1.40 115.26 122.40 1nr1 n ASN 286 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1nr1 n ASN 286 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 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 0.01 1.20 -0.02 -1.26 -0.98 135.00 133.95 1nr1 n PRO 287 Ca 0.00 0.03 -0.22 0.00 -2.02 0.00 0.00 63.50 61.29 1nr1 n PRO 287 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1nr1 n PRO 287 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nr1 h ASP 288 N 0.00 0.41 0.00 2.55 3.45 -1.92 -3.50 116.42 117.41 1nr1 h ASP 288 Ca 0.00 -0.89 0.00 0.00 0.43 0.00 0.00 57.03 56.57 1nr1 h ASP 288 Cb 0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1nr1 h ASP 288 CO 0.00 1.76 0.00 0.61 -1.57 0.00 0.00 179.24 180.04 1nr1 n GLY 289 N 1.86 3.86 3.75 2.75 0.00 -0.15 -4.92 105.19 112.34 1nr1 n GLY 289 Ca -0.29 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 4.50 0.08 -0.61 1.09 0.01 -4.91 121.20 121.35 1nr1 s ILE 290 Ca 0.00 1.82 -0.24 0.00 -1.10 0.00 0.00 60.65 61.13 1nr1 s ILE 290 Cb 0.00 -4.20 -0.06 0.00 -1.06 0.00 0.00 42.46 37.14 1nr1 s ILE 290 CO 0.00 0.41 0.73 -0.62 -0.10 0.00 0.00 174.94 175.36 1nr1 s ASP 291 N -0.46 7.22 0.05 3.58 2.15 -1.26 -4.51 116.67 123.44 1nr1 s ASP 291 Ca 0.40 1.45 -0.28 0.00 0.43 0.00 0.00 52.55 54.55 1nr1 s ASP 291 Cb -0.23 -2.45 -0.17 0.00 -0.30 0.00 0.00 42.92 39.77 1nr1 s ASP 291 CO 0.27 0.11 1.51 -0.65 -0.17 0.00 0.00 175.17 176.23 1nr1 h PRO 292 N 5.15 -0.53 -0.02 4.34 0.11 -1.95 -1.74 132.00 137.36 1nr1 h PRO 292 Ca -0.46 0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1nr1 h PRO 292 Cb 1.21 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1nr1 h PRO 292 CO 0.68 -0.29 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.65 1nr1 h LYS 293 N -0.68 -0.37 -0.20 1.05 1.63 -1.98 0.61 116.57 116.63 1nr1 h LYS 293 Ca -0.06 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1nr1 h LYS 293 Cb 0.49 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 1nr1 h LYS 293 CO 0.09 -0.25 -0.38 0.93 -3.45 0.00 0.00 179.45 176.39 1nr1 h GLU 294 N -0.39 -0.32 -0.87 1.90 5.08 -1.99 0.65 114.58 118.65 1nr1 h GLU 294 Ca 0.01 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1nr1 h GLU 294 Cb 0.42 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 1nr1 h GLU 294 CO -0.22 -0.21 0.44 1.25 -1.00 0.00 0.00 179.01 179.27 1nr1 h LEU 295 N -0.33 0.51 0.08 1.33 5.85 -1.06 0.14 115.31 121.81 1nr1 h LEU 295 Ca 0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nr1 h LEU 295 Cb 0.44 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1nr1 h LEU 295 CO -0.36 0.17 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.76 1nr1 h GLU 296 N 0.58 -0.14 -0.99 1.25 4.81 0.14 0.34 114.58 120.57 1nr1 h GLU 296 Ca 0.50 0.01 0.35 0.00 -0.13 0.00 0.00 59.36 60.09 1nr1 h GLU 296 Cb 0.77 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.01 1nr1 h GLU 296 CO -0.40 -0.09 0.33 -0.44 -0.73 0.00 0.00 179.01 177.68 1nr1 h ASP 297 N -0.14 0.01 0.72 1.04 3.32 -0.09 0.51 116.42 121.79 1nr1 h ASP 297 Ca -0.01 0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1nr1 h ASP 297 Cb 0.12 0.35 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1nr1 h ASP 297 CO -0.00 -0.38 -0.35 0.15 -1.72 0.00 0.00 179.24 176.94 1nr1 h PHE 298 N 0.03 -0.90 -0.97 4.55 3.57 -0.20 0.32 116.94 123.34 1nr1 h PHE 298 Ca 0.74 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 62.40 1nr1 h PHE 298 Cb 1.79 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 40.73 1nr1 h PHE 298 CO -0.21 -0.53 0.61 -0.22 -2.23 0.00 0.00 178.31 175.73 1nr1 h LYS 299 N -1.08 0.65 0.03 1.11 1.63 0.39 -3.00 116.57 116.30 1nr1 h LYS 299 Ca -0.10 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.57 1nr1 h LYS 299 Cb 0.76 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1nr1 h LYS 299 CO 0.16 0.43 -0.46 1.25 -3.45 0.00 0.00 179.45 177.38 1nr1 h LEU 300 N 0.66 0.11 -1.83 5.20 7.12 -0.53 -3.35 115.31 122.69 1nr1 h LEU 300 Ca 0.53 -0.90 0.33 0.00 0.13 0.00 0.00 57.88 57.97 1nr1 h LEU 300 Cb 0.95 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.98 1nr1 h LEU 300 CO -0.29 1.20 0.81 -0.61 -0.13 0.00 0.00 178.44 179.42 1nr1 h GLN 301 N -0.84 0.09 0.00 1.25 4.15 -0.24 -3.43 115.11 116.09 1nr1 h GLN 301 Ca -0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1nr1 h GLN 301 Cb 1.22 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1nr1 h GLN 301 CO -0.00 0.06 0.00 -2.39 -1.93 0.00 0.00 178.83 174.57 1nr1 n HIS 302 N -4.30 -0.04 0.00 3.99 1.44 -1.14 -5.10 115.22 110.06 1nr1 n HIS 302 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 1nr1 n HIS 302 Cb 1.17 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.28 1nr1 n HIS 302 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nr1 n GLY 303 N 0.00 -3.11 3.21 -1.39 0.00 -1.26 -4.74 105.19 97.90 1nr1 n GLY 303 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1nr1 n GLY 303 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nr1 s SER 304 N -2.41 0.21 0.00 1.61 0.15 -1.26 -4.83 113.70 107.18 1nr1 s SER 304 Ca 0.00 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1nr1 s SER 304 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1nr1 s SER 304 CO 0.00 -0.80 0.47 2.30 1.20 0.00 0.00 173.24 176.42 1nr1 n ILE 305 N -0.16 0.44 -1.68 6.45 -5.35 -1.26 -4.78 119.36 113.03 1nr1 n ILE 305 Ca -0.05 0.21 -0.42 0.00 -0.27 0.00 0.00 62.75 62.22 1nr1 n ILE 305 Cb 0.64 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 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 -0.97 3.41 -3.68 7.28 4.32 -1.26 -2.50 117.00 123.59 1nr1 n LEU 306 Ca 0.00 1.15 -0.23 0.00 -0.02 0.00 0.00 56.01 56.91 1nr1 n LEU 306 Cb 0.10 -1.45 0.05 0.00 -1.62 0.00 0.00 43.42 40.49 1nr1 n LEU 306 CO 0.00 -0.75 0.07 0.61 -1.22 0.00 0.00 177.39 176.10 1nr1 n GLY 307 N 0.88 -0.40 3.64 -0.72 0.00 -1.26 -4.91 105.19 102.41 1nr1 n GLY 307 Ca 0.06 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.45 3.19 -0.25 1.61 5.36 -1.04 -4.96 117.98 118.43 1nr1 s PHE 308 Ca 0.27 1.21 -0.28 0.00 -0.96 0.00 0.00 56.93 57.17 1nr1 s PHE 308 Cb -0.13 -3.57 -0.03 0.00 -0.34 0.00 0.00 43.02 38.95 1nr1 s PHE 308 CO 0.78 -0.70 1.94 -2.14 -1.46 0.00 0.00 175.22 173.64 1nr1 s PRO 309 N 3.50 3.38 0.00 10.12 0.02 -1.26 -1.30 135.00 149.46 1nr1 s PRO 309 Ca 0.44 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1nr1 s PRO 309 Cb -0.13 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1nr1 s PRO 309 CO 0.13 -1.81 0.00 1.63 -0.33 0.00 0.00 177.00 176.62 1nr1 n LYS 310 N 8.39 0.00 -3.69 5.54 5.02 -1.26 -5.08 118.16 127.08 1nr1 n LYS 310 Ca 0.25 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1nr1 n LYS 310 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.37 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 -1.28 -0.32 7.82 0.00 -0.42 -4.86 121.76 120.71 1nr1 s ALA 311 Ca 0.00 1.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1nr1 s ALA 311 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1nr1 s ALA 311 CO 0.00 -0.28 0.20 0.21 0.00 0.00 0.00 175.76 175.90 1nr1 s LYS 312 N 1.05 3.53 -0.80 0.00 2.20 -0.49 -4.56 119.74 120.67 1nr1 s LYS 312 Ca -0.06 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1nr1 s LYS 312 Cb -0.06 -3.71 -0.16 0.00 -1.51 0.00 0.00 37.83 32.39 1nr1 s LYS 312 CO -0.09 -0.39 2.59 -2.30 -0.36 0.00 0.00 175.35 174.79 1nr1 n PRO 313 N 5.06 0.40 -3.00 4.03 -0.02 -1.26 -3.08 135.00 137.13 1nr1 n PRO 313 Ca -0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.94 1nr1 n PRO 313 Cb 0.50 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 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 10.16 3.27 0.13 6.00 5.04 -1.23 -4.98 117.35 135.73 1nr1 s TYR 314 Ca 1.22 0.90 0.07 0.00 -2.44 0.00 0.00 57.07 56.82 1nr1 s TYR 314 Cb -0.86 -3.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.41 1nr1 s TYR 314 CO 0.41 -0.42 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.13 1nr1 s GLU 315 N 2.73 2.20 0.00 4.97 2.56 -1.26 -4.17 118.70 125.73 1nr1 s GLU 315 Ca 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 54.97 54.21 1nr1 s GLU 315 Cb -0.15 -2.31 0.00 0.00 2.00 0.00 0.00 34.13 33.67 1nr1 s GLU 315 CO 0.09 0.49 0.00 0.41 -0.56 0.00 0.00 175.26 175.69 1nr1 n GLY 316 N 0.43 0.72 0.00 -1.50 0.00 -1.26 -4.98 105.19 98.61 1nr1 n GLY 316 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -0.29 1.61 3.41 -1.26 -4.63 113.62 112.46 1nr1 n SER 317 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1nr1 n SER 317 Cb 0.00 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.21 1nr1 n SER 317 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1nr1 h ILE 318 N 2.01 0.32 -0.53 -1.33 5.03 -1.93 -0.99 117.51 120.09 1nr1 h ILE 318 Ca 0.00 -0.06 0.14 0.00 -0.12 0.00 0.00 64.86 64.81 1nr1 h ILE 318 Cb 0.00 0.12 -0.10 0.00 -3.03 0.00 0.00 36.82 33.81 1nr1 h ILE 318 CO 0.00 0.03 -0.02 0.18 -0.68 0.00 0.00 178.15 177.67 1nr1 n LEU 319 N -5.25 -0.09 0.16 1.44 4.32 -1.26 0.19 117.00 116.51 1nr1 n LEU 319 Ca 0.20 0.90 -0.14 0.00 -0.02 0.00 0.00 56.01 56.95 1nr1 n LEU 319 Cb 0.63 -0.32 -0.08 0.00 -1.62 0.00 0.00 43.42 42.03 1nr1 n LEU 319 CO 0.06 -0.90 0.71 -0.33 -1.22 0.00 0.00 177.39 175.71 1nr1 h GLU 320 N 0.00 -0.35 0.00 3.23 3.07 -1.43 -3.37 114.58 115.72 1nr1 h GLU 320 Ca 0.31 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1nr1 h GLU 320 Cb 0.61 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1nr1 h GLU 320 CO -0.51 -0.15 0.00 0.00 -1.40 0.00 0.00 179.01 176.95 1nr1 n ALA 321 N -2.32 -0.30 -2.67 3.43 0.00 0.51 -2.19 120.51 116.98 1nr1 n ALA 321 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1nr1 n ALA 321 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 7.10 0.00 0.00 2.15 -1.26 -4.21 116.67 120.45 1nr1 s ASP 322 Ca 0.00 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.35 1nr1 s ASP 322 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1nr1 s ASP 322 CO 0.00 -0.58 0.00 0.00 -0.17 0.00 0.00 175.17 174.42 1nr1 n ASP 324 N 0.00 0.53 -4.12 0.00 10.43 0.65 -4.50 116.55 119.53 1nr1 n ASP 324 Ca 0.00 0.13 -0.33 0.00 2.57 0.00 0.00 54.79 57.16 1nr1 n ASP 324 Cb 0.00 -0.12 -0.16 0.00 1.84 0.00 0.00 41.12 42.69 1nr1 n ASP 324 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1nr1 s ILE 325 N -2.00 2.19 -0.22 0.53 -4.36 -1.16 0.90 121.20 117.08 1nr1 s ILE 325 Ca 0.00 -1.12 -0.09 0.00 -0.26 0.00 0.00 60.65 59.19 1nr1 s ILE 325 Cb 0.00 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1nr1 s ILE 325 CO 0.00 0.36 0.10 -0.22 0.24 0.00 0.00 174.94 175.42 1nr1 s LEU 326 N 1.25 3.86 -0.50 0.37 1.98 0.23 -1.48 118.68 124.38 1nr1 s LEU 326 Ca 0.01 0.04 0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1nr1 s LEU 326 Cb -0.15 -2.01 0.13 0.00 0.66 0.00 0.00 46.19 44.82 1nr1 s LEU 326 CO -0.10 0.09 0.24 0.27 -1.89 0.00 0.00 176.35 174.96 1nr1 s ILE 327 N 0.88 2.60 -0.44 6.68 -4.36 0.39 -1.22 121.20 125.74 1nr1 s ILE 327 Ca 0.05 -3.15 -0.27 0.00 -0.26 0.00 0.00 60.65 57.02 1nr1 s ILE 327 Cb -0.13 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1nr1 s ILE 327 CO 0.03 -0.77 2.02 -2.84 0.24 0.00 0.00 174.94 173.61 1nr1 s PRO 328 N -0.10 2.80 -0.62 0.37 0.02 -1.19 -2.16 135.00 134.13 1nr1 s PRO 328 Ca 0.16 1.25 0.06 0.00 0.02 0.00 0.00 61.00 62.49 1nr1 s PRO 328 Cb -0.25 -4.37 0.29 0.00 0.02 0.00 0.00 34.50 30.19 1nr1 s PRO 328 CO -0.01 -2.49 0.83 0.00 -0.33 0.00 0.00 177.00 175.00 1nr1 n ALA 329 N 12.55 4.33 0.00 -1.55 0.00 0.25 -2.01 120.51 134.08 1nr1 n ALA 329 Ca 0.26 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.95 1nr1 n ALA 329 Cb 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.40 0.00 -0.07 0.00 0.00 -1.25 -4.18 120.51 115.41 1nr1 n ALA 330 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nr1 n ALA 330 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1nr1 n ALA 330 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nr1 n SER 331 N 2.12 0.00 -4.78 0.00 2.88 -1.26 -4.87 113.62 107.72 1nr1 n SER 331 Ca 0.00 0.04 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 1nr1 n SER 331 Cb 0.00 -0.08 0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1nr1 n SER 331 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1nr1 s GLU 332 N -0.07 2.91 -0.45 -1.46 2.12 -1.26 -4.32 118.70 116.17 1nr1 s GLU 332 Ca 0.00 1.34 -0.00 0.00 0.36 0.00 0.00 54.97 56.67 1nr1 s GLU 332 Cb 0.00 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.42 1nr1 s GLU 332 CO 0.00 -1.16 0.32 1.63 -0.54 0.00 0.00 175.26 175.51 1nr1 n LYS 333 N -2.36 -0.84 -0.02 4.30 5.02 0.23 -4.90 118.16 119.60 1nr1 n LYS 333 Ca 0.10 0.40 -0.21 0.00 -2.02 0.00 0.00 58.31 56.58 1nr1 n LYS 333 Cb 0.52 -1.19 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 1nr1 n LYS 333 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1nr1 h GLN 334 N 0.30 0.18 -5.00 1.97 5.75 0.97 -3.43 115.11 115.86 1nr1 h GLN 334 Ca -0.35 -0.31 -0.69 0.00 -0.15 0.00 0.00 58.65 57.15 1nr1 h GLN 334 Cb 0.76 0.12 -0.18 0.00 1.07 0.00 0.00 27.48 29.25 1nr1 h GLN 334 CO 0.20 1.15 0.75 -0.51 -2.65 0.00 0.00 178.83 177.77 1nr1 s LEU 335 N -7.53 5.08 0.29 -2.39 1.43 -0.91 -4.93 118.68 109.72 1nr1 s LEU 335 Ca -0.23 -1.95 0.08 0.00 -1.03 0.00 0.00 54.13 51.01 1nr1 s LEU 335 Cb 0.05 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1nr1 s LEU 335 CO 0.72 -1.08 0.18 0.42 0.23 0.00 0.00 176.35 176.82 1nr1 s THR 336 N 2.71 3.75 0.21 5.49 -4.23 -1.26 -2.83 115.64 119.48 1nr1 s THR 336 Ca 0.30 -1.54 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1nr1 s THR 336 Cb -0.07 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.86 1nr1 s THR 336 CO -0.07 -0.27 1.00 1.17 -0.54 0.00 0.00 174.62 175.91 1nr1 n LYS 337 N -1.18 -0.05 -0.04 3.99 4.81 -1.26 -0.65 118.16 123.78 1nr1 n LYS 337 Ca -0.05 0.93 -0.12 0.00 -0.87 0.00 0.00 58.31 58.19 1nr1 n LYS 337 Cb 0.59 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 34.02 1nr1 n LYS 337 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1nr1 h SER 338 N 0.00 -1.44 -0.20 3.14 0.87 -1.97 -3.18 113.55 110.77 1nr1 h SER 338 Ca 0.44 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 1nr1 h SER 338 Cb 1.03 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 1nr1 h SER 338 CO -0.56 -0.38 0.00 -0.46 -0.53 0.00 0.00 176.83 174.90 1nr1 n ASN 339 N -4.89 2.74 -0.09 6.23 2.04 -0.16 -4.55 115.26 116.58 1nr1 n ASN 339 Ca -0.04 -1.80 -0.06 0.00 -0.44 0.00 0.00 54.58 52.23 1nr1 n ASN 339 Cb 0.30 -0.13 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 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 3.12 0.17 -0.35 -2.53 0.00 -0.86 -0.26 119.26 118.56 1nr1 h ALA 340 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1nr1 h ALA 340 Cb 0.74 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1nr1 h ALA 340 CO 0.00 -0.49 0.25 -1.35 0.00 0.00 0.00 179.25 177.66 1nr1 h PRO 341 N -0.05 0.00 0.00 0.00 0.11 -1.80 -2.61 132.00 127.66 1nr1 h PRO 341 Ca 0.16 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1nr1 h PRO 341 Cb 0.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1nr1 h PRO 341 CO -0.36 0.00 -0.24 -0.09 -0.21 0.00 0.00 178.00 177.09 1nr1 h ARG 342 N 0.00 0.00 -6.38 1.05 2.43 -1.34 -3.48 114.38 106.66 1nr1 h ARG 342 Ca 0.16 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.73 1nr1 h ARG 342 Cb 0.66 0.00 0.14 0.00 -0.42 0.00 0.00 29.97 30.35 1nr1 h ARG 342 CO -0.00 0.22 -0.24 1.33 -1.51 0.00 0.00 179.97 179.77 1nr1 n VAL 343 N -3.15 1.95 0.32 0.20 0.24 -0.98 -4.84 118.33 112.08 1nr1 n VAL 343 Ca 0.03 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.86 1nr1 n VAL 343 Cb 0.62 -0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 32.31 1nr1 n VAL 343 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1nr1 n LYS 344 N 0.56 3.17 -2.10 7.34 4.76 -0.93 -5.01 118.16 125.95 1nr1 n LYS 344 Ca 0.11 -0.32 -0.31 0.00 -2.87 0.00 0.00 58.31 54.92 1nr1 n LYS 344 Cb 0.37 -0.93 -0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1nr1 n LYS 344 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nr1 s ALA 345 N -1.30 3.14 -0.27 7.82 0.00 -1.26 -4.13 121.76 125.75 1nr1 s ALA 345 Ca 0.05 -0.08 0.22 0.00 0.00 0.00 0.00 51.96 52.14 1nr1 s ALA 345 Cb 0.06 -3.02 -0.30 0.00 0.00 0.00 0.00 23.12 19.85 1nr1 s ALA 345 CO 0.22 -0.53 0.59 1.63 0.00 0.00 0.00 175.76 177.67 1nr1 n LYS 346 N -2.40 0.50 -3.79 0.00 4.76 0.26 -4.90 118.16 112.58 1nr1 n LYS 346 Ca 0.05 -0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.11 1nr1 n LYS 346 Cb 0.54 -1.52 -0.17 0.00 -1.84 0.00 0.00 35.03 32.04 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 -3.39 0.52 -0.47 -0.18 1.01 0.71 -1.84 121.20 117.56 1nr1 s ILE 347 Ca -0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1nr1 s ILE 347 Cb 0.14 -0.69 0.07 0.00 0.01 0.00 0.00 42.46 41.99 1nr1 s ILE 347 CO 0.90 0.23 0.41 -0.63 0.00 0.00 0.00 174.94 175.85 1nr1 s ILE 348 N 1.91 5.20 -0.39 2.92 -1.09 -0.29 -0.60 121.20 128.85 1nr1 s ILE 348 Ca 0.04 -0.98 -0.17 0.00 -2.23 0.00 0.00 60.65 57.31 1nr1 s ILE 348 Cb -0.13 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1nr1 s ILE 348 CO -0.06 -0.58 0.44 0.00 -1.23 0.00 0.00 174.94 173.50 1nr1 s ALA 349 N 1.74 3.45 -0.64 9.38 0.00 -0.35 0.79 121.76 136.12 1nr1 s ALA 349 Ca 0.05 -1.36 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 1nr1 s ALA 349 Cb -0.23 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1nr1 s ALA 349 CO 0.07 -1.42 1.20 -1.21 0.00 0.00 0.00 175.76 174.41 1nr1 s GLU 350 N 2.17 3.37 -0.04 0.00 2.02 -0.52 -3.14 118.70 122.58 1nr1 s GLU 350 Ca 0.13 0.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.00 1nr1 s GLU 350 Cb -0.17 -4.08 -0.32 0.00 0.10 0.00 0.00 34.13 29.67 1nr1 s GLU 350 CO 0.13 -1.84 0.74 0.78 0.02 0.00 0.00 175.26 175.09 1nr1 h GLY 351 N 12.24 0.47 -1.04 -1.39 0.00 -1.83 -3.36 103.07 108.16 1nr1 h GLY 351 Ca -0.26 -1.21 -0.46 0.00 0.00 0.00 0.00 47.33 45.40 1nr1 h GLY 351 CO 1.21 1.06 0.29 0.00 0.00 0.00 0.00 176.54 179.11 1nr1 s ALA 352 N -2.57 2.87 0.13 3.60 0.00 -0.85 -4.47 121.76 120.46 1nr1 s ALA 352 Ca -0.15 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1nr1 s ALA 352 Cb 0.05 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1nr1 s ALA 352 CO 0.87 -1.86 0.59 -0.80 0.00 0.00 0.00 175.76 174.55 1nr1 s ASN 353 N -4.74 6.97 -0.75 0.00 0.01 -1.26 -4.49 114.94 110.68 1nr1 s ASN 353 Ca 0.68 1.22 -0.09 0.00 -0.71 0.00 0.00 52.86 53.96 1nr1 s ASN 353 Cb -0.06 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.27 1nr1 s ASN 353 CO 0.48 0.16 0.49 0.61 -1.51 0.00 0.00 177.10 177.34 1nr1 n GLY 354 N 1.17 -0.92 0.10 0.66 0.00 -1.26 -4.67 105.19 100.27 1nr1 n GLY 354 Ca -0.07 0.41 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1nr1 n GLY 354 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nr1 n PRO 355 N -2.81 0.62 -5.25 1.61 -0.04 -1.26 0.75 135.00 128.61 1nr1 n PRO 355 Ca -0.21 0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 1nr1 n PRO 355 Cb 0.52 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 32.01 1nr1 n PRO 355 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nr1 s THR 356 N -3.18 1.97 0.32 0.52 -4.23 -1.26 0.14 115.64 109.91 1nr1 s THR 356 Ca -0.02 -1.07 -0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1nr1 s THR 356 Cb 0.09 -1.64 -0.10 0.00 1.34 0.00 0.00 72.50 72.20 1nr1 s THR 356 CO 0.81 0.56 0.95 0.42 -0.54 0.00 0.00 174.62 176.81 1nr1 s THR 357 N -0.57 4.20 0.33 3.99 -4.23 -1.13 -4.89 115.64 113.33 1nr1 s THR 357 Ca 0.09 1.83 0.12 0.00 -1.18 0.00 0.00 61.69 62.55 1nr1 s THR 357 Cb -0.10 -4.02 0.33 0.00 1.34 0.00 0.00 72.50 70.05 1nr1 s THR 357 CO -0.01 0.16 1.66 -0.65 -0.54 0.00 0.00 174.62 175.24 1nr1 h PRO 358 N 3.22 0.30 -0.32 3.99 0.11 -2.00 0.23 132.00 137.52 1nr1 h PRO 358 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1nr1 h PRO 358 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1nr1 h PRO 358 CO 0.65 0.20 0.19 0.93 -0.21 0.00 0.00 178.00 179.76 1nr1 h GLU 359 N 0.30 0.38 -0.37 1.05 4.39 -1.95 -2.24 114.58 116.14 1nr1 h GLU 359 Ca 0.69 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.36 1nr1 h GLU 359 Cb 1.54 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 1nr1 h GLU 359 CO -0.62 0.25 0.18 0.00 -1.16 0.00 0.00 179.01 177.66 1nr1 h ALA 360 N 1.14 0.47 -0.91 3.43 0.00 -0.86 -2.15 119.26 120.38 1nr1 h ALA 360 Ca 0.13 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.15 1nr1 h ALA 360 Cb -0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.52 1nr1 h ALA 360 CO -0.05 0.03 0.43 -0.44 0.00 0.00 0.00 179.25 179.22 1nr1 h ASP 361 N 0.45 0.41 -0.02 0.00 3.32 -0.91 0.15 116.42 119.83 1nr1 h ASP 361 Ca 0.13 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.34 1nr1 h ASP 361 Cb 0.12 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1nr1 h ASP 361 CO -0.02 0.04 -0.09 0.11 -1.72 0.00 0.00 179.24 177.57 1nr1 h LYS 362 N 0.45 -0.13 -0.01 3.56 1.57 -0.81 -0.11 116.57 121.09 1nr1 h LYS 362 Ca 0.56 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1nr1 h LYS 362 Cb 1.05 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1nr1 h LYS 362 CO -0.50 -0.09 -0.01 0.82 -0.57 0.00 0.00 179.45 179.10 1nr1 h ILE 363 N -0.14 0.98 -0.62 1.86 5.03 -0.43 -1.95 117.51 122.25 1nr1 h ILE 363 Ca 0.04 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.80 1nr1 h ILE 363 Cb 0.19 0.98 -0.04 0.00 -3.03 0.00 0.00 36.82 34.92 1nr1 h ILE 363 CO -0.11 0.00 0.40 -0.26 -0.68 0.00 0.00 178.15 177.50 1nr1 h PHE 364 N -0.01 0.75 -0.33 1.37 0.04 -1.01 -0.83 116.94 116.93 1nr1 h PHE 364 Ca 0.01 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.87 1nr1 h PHE 364 Cb 0.02 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 37.85 1nr1 h PHE 364 CO -0.09 0.45 -0.10 1.25 -0.60 0.00 0.00 178.31 179.22 1nr1 h LEU 365 N 0.80 -0.35 0.55 1.54 5.85 -0.78 0.34 115.31 123.26 1nr1 h LEU 365 Ca 0.24 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1nr1 h LEU 365 Cb -0.04 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1nr1 h LEU 365 CO -0.07 -0.13 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.18 1nr1 h GLU 366 N -0.02 -0.87 -1.53 1.25 5.08 -0.88 -2.84 114.58 114.77 1nr1 h GLU 366 Ca 0.16 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nr1 h GLU 366 Cb 0.27 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1nr1 h GLU 366 CO -0.35 -0.58 0.00 2.89 -1.00 0.00 0.00 179.01 179.97 1nr1 n ARG 367 N -4.84 0.79 -4.40 2.33 1.85 -0.36 -4.83 116.66 107.20 1nr1 n ARG 367 Ca -0.11 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.37 1nr1 n ARG 367 Cb 0.39 -1.11 -0.08 0.00 -1.05 0.00 0.00 32.46 30.61 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 1.02 -0.86 -4.78 2.89 3.02 -0.68 -4.95 115.26 110.91 1nr1 n ASN 368 Ca 0.00 -1.22 -0.37 0.00 -0.03 0.00 0.00 54.58 52.96 1nr1 n ASN 368 Cb 0.39 -1.79 -0.07 0.00 -0.61 0.00 0.00 39.78 37.71 1nr1 n ASN 368 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nr1 s ILE 369 N -3.71 5.33 -0.41 2.41 -1.09 0.11 -4.84 121.20 119.00 1nr1 s ILE 369 Ca 0.47 0.46 -0.17 0.00 -2.23 0.00 0.00 60.65 59.18 1nr1 s ILE 369 Cb -0.27 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1nr1 s ILE 369 CO 1.00 0.49 0.44 -0.32 -1.23 0.00 0.00 174.94 175.32 1nr1 s MET 370 N -0.17 3.18 -0.21 2.79 -2.45 -0.76 -4.35 119.30 117.33 1nr1 s MET 370 Ca 0.16 -0.68 -0.11 0.00 -1.25 0.00 0.00 55.69 53.81 1nr1 s MET 370 Cb -0.13 -3.94 -0.05 0.00 1.25 0.00 0.00 34.83 31.96 1nr1 s MET 370 CO 0.04 -0.81 0.17 0.08 1.05 0.00 0.00 175.02 175.56 1nr1 s VAL 371 N 2.16 5.37 -0.43 10.11 1.01 -1.26 -1.14 120.40 136.22 1nr1 s VAL 371 Ca 0.13 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1nr1 s VAL 371 Cb -0.17 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1nr1 s VAL 371 CO 0.14 0.40 0.67 -0.63 0.00 0.00 0.00 175.10 175.67 1nr1 s ILE 372 N 0.64 4.80 0.35 2.22 1.01 0.24 -4.14 121.20 126.30 1nr1 s ILE 372 Ca 0.09 0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 1nr1 s ILE 372 Cb -0.12 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 1nr1 s ILE 372 CO 0.01 -0.58 1.40 -2.16 0.00 0.00 0.00 174.94 173.60 1nr1 s PRO 373 N 2.90 4.24 0.43 2.79 0.04 -1.26 -1.43 135.00 142.71 1nr1 s PRO 373 Ca 0.24 2.38 0.30 0.00 0.04 0.00 0.00 61.00 63.97 1nr1 s PRO 373 Cb -0.14 -3.03 1.44 0.00 0.04 0.00 0.00 34.50 32.82 1nr1 s PRO 373 CO 0.19 -0.36 1.91 0.38 0.04 0.00 0.00 177.00 179.17 1nr1 h ASP 374 N 3.31 0.00 0.88 6.66 -0.00 -1.83 0.75 116.42 126.20 1nr1 h ASP 374 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 1nr1 h ASP 374 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 1nr1 h ASP 374 CO 0.66 0.00 0.00 0.25 -0.00 0.00 0.00 179.24 180.15 1nr1 h LEU 375 N 0.00 0.00 0.00 0.15 5.85 -1.90 -3.31 115.31 116.10 1nr1 h LEU 375 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1nr1 h LEU 375 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1nr1 h LEU 375 CO 0.00 0.00 -0.69 0.00 -0.34 0.00 0.00 178.44 177.41 1nr1 n TYR 376 N -2.79 0.00 -0.32 1.25 -0.00 0.52 -4.68 117.16 111.13 1nr1 n TYR 376 Ca 0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.08 1nr1 n TYR 376 Cb 0.27 -0.15 0.42 0.00 -0.00 0.00 0.00 39.34 39.87 1nr1 n TYR 376 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 1nr1 h LEU 377 N -0.22 0.60 -3.89 2.98 5.85 0.22 -2.35 115.31 118.51 1nr1 h LEU 377 Ca -0.07 0.08 -0.60 0.00 0.84 0.00 0.00 57.88 58.14 1nr1 h LEU 377 Cb 0.60 -0.02 -0.38 0.00 0.37 0.00 0.00 40.66 41.23 1nr1 h LEU 377 CO -0.04 0.19 -0.23 -0.46 -0.34 0.00 0.00 178.44 177.56 1nr1 n ASN 378 N -4.68 5.87 -1.19 1.25 2.04 -1.24 -2.93 115.26 114.38 1nr1 n ASN 378 Ca 0.23 -3.76 0.08 0.00 -0.44 0.00 0.00 54.58 50.69 1nr1 n ASN 378 Cb 0.70 -0.57 0.26 0.00 -2.53 0.00 0.00 39.78 37.64 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 -0.77 2.79 0.15 -2.53 0.00 -0.88 -4.31 120.51 114.95 1nr1 n ALA 379 Ca 0.50 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1nr1 n ALA 379 Cb 0.84 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 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 4.63 -0.37 0.18 0.00 0.00 -1.82 -2.09 103.07 103.61 1nr1 h GLY 380 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1nr1 h GLY 380 CO 0.12 -0.13 -0.29 -1.33 0.00 0.00 0.00 176.54 174.91 1nr1 h GLY 381 N -0.55 -0.35 0.22 4.60 0.00 -1.81 0.11 103.07 105.29 1nr1 h GLY 381 Ca -0.04 0.36 0.20 0.00 0.00 0.00 0.00 47.33 47.85 1nr1 h GLY 381 CO 0.06 -0.21 0.61 -2.08 0.00 0.00 0.00 176.54 174.92 1nr1 h VAL 382 N -0.35 0.69 -0.00 4.60 2.07 -1.83 0.43 116.25 121.85 1nr1 h VAL 382 Ca 0.10 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1nr1 h VAL 382 Cb 0.51 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1nr1 h VAL 382 CO -0.35 0.10 -0.00 0.74 0.02 0.00 0.00 177.57 178.08 1nr1 h THR 383 N 0.56 1.25 0.03 2.57 2.02 -0.16 -2.73 112.91 116.45 1nr1 h THR 383 Ca 0.52 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1nr1 h THR 383 Cb 1.07 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1nr1 h THR 383 CO -0.26 0.19 -0.02 0.58 0.37 0.00 0.00 175.52 176.39 1nr1 h VAL 384 N -0.31 1.18 -1.18 3.16 2.07 0.13 -2.61 116.25 118.69 1nr1 h VAL 384 Ca 0.00 -0.66 0.40 0.00 0.82 0.00 0.00 66.70 67.26 1nr1 h VAL 384 Cb 0.32 1.61 -0.14 0.00 -1.52 0.00 0.00 31.29 31.56 1nr1 h VAL 384 CO 0.00 0.17 0.72 0.77 0.02 0.00 0.00 177.57 179.25 1nr1 h SER 385 N -0.33 0.33 -0.37 0.57 4.64 -0.21 2.92 113.55 121.10 1nr1 h SER 385 Ca -0.00 0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1nr1 h SER 385 Cb 0.31 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1nr1 h SER 385 CO 0.01 -0.21 -0.04 0.22 -0.87 0.00 0.00 176.83 175.94 1nr1 h TYR 386 N 0.14 0.83 -0.13 4.77 -0.00 -1.15 -0.88 116.97 120.55 1nr1 h TYR 386 Ca 0.80 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.73 59.38 1nr1 h TYR 386 Cb 2.27 -0.22 -0.00 0.00 -0.00 0.00 0.00 36.73 38.77 1nr1 h TYR 386 CO -0.01 0.79 0.00 0.74 -0.00 0.00 0.00 178.16 179.69 1nr1 h PHE 387 N 0.72 0.26 0.19 -3.82 0.05 0.54 -0.34 116.94 114.53 1nr1 h PHE 387 Ca 0.13 -0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.89 1nr1 h PHE 387 Cb 0.50 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.34 1nr1 h PHE 387 CO 0.03 0.47 -0.39 1.49 -0.18 0.00 0.00 178.31 179.72 1nr1 h GLU 388 N -0.03 -0.64 -0.98 1.51 4.81 -0.67 1.14 114.58 119.73 1nr1 h GLU 388 Ca 0.04 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.56 1nr1 h GLU 388 Cb 0.36 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1nr1 h GLU 388 CO 0.01 -0.43 0.65 2.35 -0.73 0.00 0.00 179.01 180.86 1nr1 h TRP 389 N -0.66 0.45 -0.03 0.92 7.01 -1.08 0.53 115.95 123.09 1nr1 h TRP 389 Ca 0.01 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 1nr1 h TRP 389 Cb 0.66 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1nr1 h TRP 389 CO -0.31 0.08 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.03 1nr1 h LEU 390 N 0.31 0.33 -0.57 0.65 3.38 0.92 -2.78 115.31 117.55 1nr1 h LEU 390 Ca 0.52 -0.71 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1nr1 h LEU 390 Cb 1.47 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1nr1 h LEU 390 CO -0.18 1.00 0.00 0.50 0.09 0.00 0.00 178.44 179.85 1nr1 h LYS 391 N -0.31 0.12 -1.00 1.13 3.64 0.61 0.11 116.57 120.87 1nr1 h LYS 391 Ca -0.03 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1nr1 h LYS 391 Cb 1.02 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1nr1 h LYS 391 CO 0.06 0.08 0.65 -0.91 -2.27 0.00 0.00 179.45 177.06 1nr1 h ASN 392 N 0.12 1.04 1.41 4.20 2.35 -0.78 0.19 115.58 124.12 1nr1 h ASN 392 Ca 0.29 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1nr1 h ASN 392 Cb 0.46 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1nr1 h ASN 392 CO -0.48 0.67 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.83 1nr1 h LEU 393 N 1.18 0.00 0.00 1.61 3.38 -0.61 -3.07 115.31 117.81 1nr1 h LEU 393 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1nr1 h LEU 393 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1nr1 h LEU 393 CO -0.16 0.07 -1.00 0.59 0.09 0.00 0.00 178.44 178.03 1nr1 n ASN 394 N -3.15 0.83 -3.63 -0.43 3.02 0.13 -4.97 115.26 107.06 1nr1 n ASN 394 Ca 0.02 0.31 -0.22 0.00 -0.03 0.00 0.00 54.58 54.65 1nr1 n ASN 394 Cb 0.44 0.46 0.06 0.00 -0.61 0.00 0.00 39.78 40.14 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 -2.64 -2.34 -3.64 3.10 8.25 0.47 -4.98 115.22 113.45 1nr1 n HIS 395 Ca 0.00 0.93 -0.03 0.00 -0.26 0.00 0.00 57.72 58.37 1nr1 n HIS 395 Cb 0.54 -4.72 -0.06 0.00 1.12 0.00 0.00 29.99 26.87 1nr1 n HIS 395 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1nr1 s VAL 396 N -3.41 -0.03 0.37 1.59 -7.23 -1.24 -5.10 120.40 105.35 1nr1 s VAL 396 Ca 0.28 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.17 1nr1 s VAL 396 Cb -0.13 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.70 1nr1 s VAL 396 CO 0.77 0.00 1.47 -0.94 -0.31 0.00 0.00 175.10 176.09 1nr1 s SER 397 N 1.43 6.39 0.33 4.85 1.04 -1.26 -4.90 113.70 121.57 1nr1 s SER 397 Ca -0.09 3.01 -0.29 0.00 0.48 0.00 0.00 55.95 59.06 1nr1 s SER 397 Cb -0.04 -2.67 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 1nr1 s SER 397 CO -0.16 -0.84 1.40 -0.31 0.98 0.00 0.00 173.24 174.31 1nr1 s TYR 398 N -1.09 2.88 0.00 5.02 1.51 -1.26 -2.59 117.35 121.83 1nr1 s TYR 398 Ca 0.53 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1nr1 s TYR 398 Cb -0.46 -3.83 0.00 0.00 -0.11 0.00 0.00 41.96 37.56 1nr1 s TYR 398 CO 0.62 -2.42 0.00 0.41 -1.11 0.00 0.00 175.55 173.04 1nr1 n GLY 399 N 0.98 2.91 0.46 0.71 0.00 -1.26 -4.12 105.19 104.86 1nr1 n GLY 399 Ca 0.02 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.24 1.61 3.00 -1.07 -0.20 116.66 119.78 1nr1 n ARG 400 Ca 0.00 0.94 0.04 0.00 -0.00 0.00 0.00 57.85 58.84 1nr1 n ARG 400 Cb 0.00 -2.39 0.06 0.00 0.00 0.00 0.00 32.46 30.13 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 -2.95 1.15 0.00 6.15 4.77 -1.26 -4.86 117.00 120.00 1nr1 n LEU 401 Ca 0.17 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 1nr1 n LEU 401 Cb 1.33 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 1nr1 n LEU 401 CO 0.17 0.45 -0.16 0.35 -1.33 0.00 0.00 177.39 176.87 1nr1 n THR 402 N -0.66 0.00 -0.32 -5.08 -2.24 0.72 -4.79 114.28 101.92 1nr1 n THR 402 Ca 0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1nr1 n THR 402 Cb 0.63 -0.19 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.65 0.41 0.13 4.78 0.99 -0.73 0.89 117.46 122.28 1nr1 n PHE 403 Ca 0.00 1.08 -0.06 0.00 -0.00 0.00 0.00 57.45 58.47 1nr1 n PHE 403 Cb 0.16 -1.07 -0.03 0.00 -1.00 0.00 0.00 39.48 37.54 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 -0.37 -0.98 -1.08 1.63 -1.90 -1.56 116.57 112.30 1nr1 h LYS 404 Ca 0.47 0.03 0.36 0.00 -0.85 0.00 0.00 60.65 60.65 1nr1 h LYS 404 Cb 0.81 0.08 -0.18 0.00 -0.60 0.00 0.00 32.23 32.34 1nr1 h LYS 404 CO -0.89 -0.25 0.33 0.98 -3.45 0.00 0.00 179.45 176.17 1nr1 n TYR 405 N -4.54 0.94 0.36 1.91 9.36 -0.49 0.30 117.16 125.00 1nr1 n TYR 405 Ca -0.05 1.17 -0.15 0.00 3.32 0.00 0.00 57.90 62.20 1nr1 n TYR 405 Cb 0.15 -1.43 -0.07 0.00 -0.63 0.00 0.00 39.34 37.36 1nr1 n TYR 405 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1nr1 h GLU 406 N 0.00 -0.91 -0.84 2.98 4.81 0.53 -1.89 114.58 119.26 1nr1 h GLU 406 Ca 0.74 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 60.11 1nr1 h GLU 406 Cb 1.82 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 31.30 1nr1 h GLU 406 CO -0.83 -0.60 -0.55 -0.09 -0.73 0.00 0.00 179.01 176.22 1nr1 h ARG 407 N -0.94 -0.06 -0.69 1.92 2.43 0.91 0.30 114.38 118.24 1nr1 h ARG 407 Ca -0.09 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1nr1 h ARG 407 Cb 0.73 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.20 1nr1 h ARG 407 CO 0.13 -0.04 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.58 1nr1 h ASP 408 N -0.06 -1.88 -0.60 -3.80 3.45 -1.09 -0.09 116.42 112.35 1nr1 h ASP 408 Ca 0.14 0.27 0.12 0.00 0.43 0.00 0.00 57.03 57.99 1nr1 h ASP 408 Cb 0.41 0.81 -0.10 0.00 -0.56 0.00 0.00 39.33 39.89 1nr1 h ASP 408 CO -0.82 -0.28 0.02 0.28 -1.57 0.00 0.00 179.24 176.87 1nr1 h SER 409 N -0.15 -0.22 -0.06 6.45 0.02 0.31 -1.62 113.55 118.28 1nr1 h SER 409 Ca 0.11 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1nr1 h SER 409 Cb 0.45 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1nr1 h SER 409 CO -0.73 -0.09 -0.25 0.78 -1.14 0.00 0.00 176.83 175.40 1nr1 h ASN 410 N 0.14 -0.80 -1.15 3.07 -0.26 0.10 -0.72 115.58 115.96 1nr1 h ASN 410 Ca 0.31 0.09 0.33 0.00 -0.56 0.00 0.00 56.30 56.47 1nr1 h ASN 410 Cb 0.49 0.31 -0.06 0.00 -1.06 0.00 0.00 38.32 38.00 1nr1 h ASN 410 CO -0.49 -0.23 0.80 1.88 -1.06 0.00 0.00 177.43 178.33 1nr1 h TYR 411 N -0.28 0.21 -0.32 1.19 0.05 -0.52 0.59 116.97 117.90 1nr1 h TYR 411 Ca 0.01 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1nr1 h TYR 411 Cb 0.32 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1nr1 h TYR 411 CO -0.50 0.01 -0.30 0.45 -1.05 0.00 0.00 178.16 176.77 1nr1 h HIS 412 N 0.12 0.91 0.00 4.88 3.86 -0.47 0.37 115.15 124.82 1nr1 h HIS 412 Ca 0.58 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1nr1 h HIS 412 Cb 2.06 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.34 1nr1 h HIS 412 CO -0.00 1.03 0.00 1.28 0.86 0.00 0.00 177.93 181.10 1nr1 n LEU 413 N -4.22 0.00 -0.31 2.43 7.99 0.19 -0.75 117.00 122.33 1nr1 n LEU 413 Ca -0.03 0.95 0.16 0.00 -0.01 0.00 0.00 56.01 57.08 1nr1 n LEU 413 Cb 0.48 -0.45 0.33 0.00 -0.11 0.00 0.00 43.42 43.67 1nr1 n LEU 413 CO 0.46 -0.45 0.92 -0.07 -1.51 0.00 0.00 177.39 176.73 1nr1 h LEU 414 N 0.00 -0.09 -0.95 2.23 3.38 -1.23 0.89 115.31 119.53 1nr1 h LEU 414 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1nr1 h LEU 414 Cb 0.00 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nr1 h LEU 414 CO 0.00 -0.25 0.00 0.24 0.09 0.00 0.00 178.44 178.52 1nr1 h MET 415 N 0.13 0.00 0.00 1.13 2.86 0.20 -1.15 114.93 118.10 1nr1 h MET 415 Ca 0.60 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 58.07 1nr1 h MET 415 Cb 1.29 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1nr1 h MET 415 CO -0.75 0.00 -1.49 0.43 1.06 0.00 0.00 176.91 176.16 1nr1 n SER 416 N -2.30 0.78 0.11 1.22 7.64 0.30 -2.00 113.62 119.37 1nr1 n SER 416 Ca 0.01 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.12 1nr1 n SER 416 Cb 0.18 0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1nr1 n SER 416 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1nr1 h VAL 417 N 0.00 0.68 0.12 0.44 2.07 -0.23 -2.81 116.25 116.53 1nr1 h VAL 417 Ca -0.18 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1nr1 h VAL 417 Cb 1.61 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1nr1 h VAL 417 CO 0.04 0.15 -0.52 -0.61 0.02 0.00 0.00 177.57 176.66 1nr1 h GLN 418 N -0.86 -0.71 0.00 1.57 4.15 -1.36 0.15 115.11 118.05 1nr1 h GLN 418 Ca -0.03 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1nr1 h GLN 418 Cb 0.51 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1nr1 h GLN 418 CO 0.06 -0.48 0.00 0.93 -1.93 0.00 0.00 178.83 177.41 1nr1 h GLU 419 N -0.74 0.00 0.02 1.69 5.08 -1.54 -0.94 114.58 118.14 1nr1 h GLU 419 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1nr1 h GLU 419 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1nr1 h GLU 419 CO -0.28 0.00 -0.42 0.77 -1.00 0.00 0.00 179.01 178.08 1nr1 h SER 420 N 0.00 0.07 -0.16 1.42 0.02 -0.89 -3.34 113.55 110.67 1nr1 h SER 420 Ca 0.00 -0.89 0.02 0.00 -0.84 0.00 0.00 61.79 60.08 1nr1 h SER 420 Cb 0.06 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1nr1 h SER 420 CO 0.00 1.17 0.05 -0.07 -1.14 0.00 0.00 176.83 176.84 1nr1 h LEU 421 N -0.90 0.05 -0.72 5.07 4.07 -0.40 -1.98 115.31 120.49 1nr1 h LEU 421 Ca -0.10 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1nr1 h LEU 421 Cb 1.17 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1nr1 h LEU 421 CO -0.02 0.05 0.00 -0.62 -1.08 0.00 0.00 178.44 176.77 1nr1 n GLU 422 N -5.06 0.15 -0.15 1.13 1.02 -0.39 0.86 120.64 118.20 1nr1 n GLU 422 Ca -0.04 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.19 1nr1 n GLU 422 Cb 0.07 -1.05 0.15 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.17 1.85 -2.62 3.49 1.74 -0.75 -4.01 116.66 116.54 1nr1 n ARG 423 Ca 0.00 -2.52 -0.12 0.00 -0.77 0.00 0.00 57.85 54.43 1nr1 n ARG 423 Cb 0.03 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.09 1.82 0.00 5.56 4.81 0.25 -4.92 118.16 124.59 1nr1 n LYS 424 Ca 0.16 -3.60 0.00 0.00 -0.87 0.00 0.00 58.31 54.00 1nr1 n LYS 424 Cb 0.65 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.25 0.00 -1.52 5.64 -0.00 -1.26 -5.06 117.46 115.01 1nr1 n PHE 425 Ca 0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.32 1nr1 n PHE 425 Cb 0.79 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 40.14 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 -0.29 3.63 7.13 0.00 -1.26 -4.76 105.19 109.65 1nr1 n GLY 426 Ca 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 8.30 0.74 -0.68 1.61 2.47 -1.26 -5.09 119.74 125.83 1nr1 s LYS 427 Ca 1.19 1.02 0.05 0.00 -1.56 0.00 0.00 55.97 56.67 1nr1 s LYS 427 Cb -0.72 0.29 0.19 0.00 -1.46 0.00 0.00 37.83 36.13 1nr1 s LYS 427 CO 0.39 -0.11 0.57 -2.39 0.16 0.00 0.00 175.35 173.97 1nr1 n HIS 428 N 3.24 3.29 0.00 4.03 1.44 -1.26 -4.59 115.22 121.37 1nr1 n HIS 428 Ca -0.16 -4.25 0.00 0.00 -2.01 0.00 0.00 57.72 51.30 1nr1 n HIS 428 Cb 0.57 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1nr1 n HIS 428 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nr1 n GLY 429 N 1.63 0.02 0.07 -1.39 0.00 -1.26 -5.08 105.19 99.18 1nr1 n GLY 429 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 1nr1 n GLY 429 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nr1 h GLY 430 N 0.00 0.00 -7.75 -0.02 0.00 -1.98 -3.45 103.07 89.87 1nr1 h GLY 430 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1nr1 h GLY 430 CO 0.00 0.00 -0.47 -1.59 0.00 0.00 0.00 176.54 174.48 1nr1 s THR 431 N -2.03 5.28 -0.94 4.70 2.01 -1.26 -5.04 115.64 118.35 1nr1 s THR 431 Ca -0.14 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 1nr1 s THR 431 Cb 0.00 -3.65 0.24 0.00 0.01 0.00 0.00 72.50 69.10 1nr1 s THR 431 CO 0.37 0.09 0.87 -0.63 -0.69 0.00 0.00 174.62 174.63 1nr1 s ILE 432 N 1.77 5.15 -0.10 1.82 -1.09 -1.26 -4.84 121.20 122.65 1nr1 s ILE 432 Ca 0.07 -3.38 -0.15 0.00 -2.23 0.00 0.00 60.65 54.97 1nr1 s ILE 432 Cb -0.17 -4.16 -0.12 0.00 -1.58 0.00 0.00 42.46 36.43 1nr1 s ILE 432 CO 0.11 -1.10 0.45 -0.65 -1.23 0.00 0.00 174.94 172.53 1nr1 h PRO 433 N 6.66 -0.05 0.00 2.79 0.11 -1.94 -3.34 132.00 136.23 1nr1 h PRO 433 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1nr1 h PRO 433 Cb 0.89 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1nr1 h PRO 433 CO 0.89 0.39 0.00 0.44 -0.21 0.00 0.00 178.00 179.51 1nr1 n ILE 434 N -4.75 0.00 -1.59 4.15 -5.35 -1.26 -4.14 119.36 106.42 1nr1 n ILE 434 Ca -0.05 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 61.98 1nr1 n ILE 434 Cb 0.23 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.09 1nr1 n ILE 434 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1nr1 n VAL 435 N -1.61 0.39 -1.70 7.28 3.14 -1.26 -4.92 118.33 119.66 1nr1 n VAL 435 Ca 0.00 -0.36 -0.30 0.00 -2.96 0.00 0.00 64.34 60.72 1nr1 n VAL 435 Cb 0.00 -2.33 0.09 0.00 -1.06 0.00 0.00 33.84 30.54 1nr1 n VAL 435 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1nr1 s PRO 436 N 5.92 2.08 0.73 1.45 0.02 -1.26 -5.01 135.00 138.93 1nr1 s PRO 436 Ca 1.00 0.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 1nr1 s PRO 436 Cb -0.46 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.15 1nr1 s PRO 436 CO 0.40 -1.58 1.08 0.95 -0.33 0.00 0.00 177.00 177.52 1nr1 s THR 437 N -3.31 3.51 0.11 0.99 -4.23 -1.26 -4.79 115.64 106.66 1nr1 s THR 437 Ca 0.61 0.53 -0.32 0.00 -1.18 0.00 0.00 61.69 61.33 1nr1 s THR 437 Cb -0.13 -3.08 -0.11 0.00 1.34 0.00 0.00 72.50 70.52 1nr1 s THR 437 CO 0.52 -0.60 1.58 0.00 -0.54 0.00 0.00 174.62 175.58 1nr1 h ALA 438 N -0.77 -0.81 -0.55 3.99 0.00 -1.99 -0.30 119.26 118.83 1nr1 h ALA 438 Ca -0.44 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1nr1 h ALA 438 Cb 1.23 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 1nr1 h ALA 438 CO 0.53 -1.03 -0.32 0.39 0.00 0.00 0.00 179.25 178.82 1nr1 n GLU 439 N -5.47 -0.24 -0.27 0.00 4.71 -1.26 0.73 120.64 118.85 1nr1 n GLU 439 Ca -0.07 1.17 0.17 0.00 -0.01 0.00 0.00 57.16 58.42 1nr1 n GLU 439 Cb 0.39 -1.74 0.46 0.00 -1.01 0.00 0.00 31.44 29.54 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 0.67 -0.03 -0.32 -0.00 -1.82 -0.87 116.94 114.57 1nr1 h PHE 440 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1nr1 h PHE 440 Cb 0.22 -0.21 -0.00 0.00 -0.00 0.00 0.00 35.95 35.97 1nr1 h PHE 440 CO -0.89 0.19 0.01 0.37 -0.00 0.00 0.00 178.31 177.98 1nr1 h GLN 441 N 0.51 0.05 -0.59 1.11 5.75 0.21 -1.37 115.11 120.79 1nr1 h GLN 441 Ca 0.48 -0.01 0.12 0.00 -0.15 0.00 0.00 58.65 59.09 1nr1 h GLN 441 Cb 1.05 -0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.49 1nr1 h GLN 441 CO -0.21 0.28 -0.00 -0.44 -2.65 0.00 0.00 178.83 175.81 1nr1 h ASP 442 N -0.19 -0.26 0.48 -0.69 3.45 0.51 -0.35 116.42 119.37 1nr1 h ASP 442 Ca 0.01 0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 1nr1 h ASP 442 Cb 0.26 0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1nr1 h ASP 442 CO 0.00 -0.10 -0.23 -0.09 -1.57 0.00 0.00 179.24 177.25 1nr1 h ARG 443 N 0.11 0.00 0.02 3.56 2.43 -1.37 0.34 114.38 119.48 1nr1 h ARG 443 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1nr1 h ARG 443 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1nr1 h ARG 443 CO -0.50 0.23 -0.01 0.82 -1.51 0.00 0.00 179.97 178.99 1nr1 h ILE 444 N 0.00 1.46 0.34 1.20 1.08 0.05 -3.00 117.51 118.64 1nr1 h ILE 444 Ca -0.00 -1.62 -0.02 0.00 -0.39 0.00 0.00 64.86 62.83 1nr1 h ILE 444 Cb 0.53 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1nr1 h ILE 444 CO 0.03 0.41 -0.16 0.28 -0.69 0.00 0.00 178.15 178.01 1nr1 h SER 445 N -0.75 -0.39 -0.16 1.72 0.02 -0.96 -3.09 113.55 109.95 1nr1 h SER 445 Ca -0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1nr1 h SER 445 Cb 0.69 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1nr1 h SER 445 CO 0.00 -0.22 0.10 0.61 -1.14 0.00 0.00 176.83 176.19 1nr1 n GLY 446 N -1.08 2.38 3.69 -3.77 0.00 0.12 -4.90 105.19 101.64 1nr1 n GLY 446 Ca -0.10 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.55 3.70 0.29 4.61 0.00 -1.13 -4.93 121.76 123.75 1nr1 s ALA 447 Ca 0.09 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1nr1 s ALA 447 Cb 0.08 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1nr1 s ALA 447 CO 0.02 -1.03 0.53 -1.54 0.00 0.00 0.00 175.76 173.74 1nr1 s SER 448 N 2.13 0.11 0.10 0.00 1.04 -1.26 -5.07 113.70 110.75 1nr1 s SER 448 Ca 0.73 -1.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 1nr1 s SER 448 Cb -0.40 0.65 -0.10 0.00 0.10 0.00 0.00 66.02 66.26 1nr1 s SER 448 CO 0.32 -1.26 1.70 -0.08 0.98 0.00 0.00 173.24 174.90 1nr1 h GLU 449 N 2.17 -0.16 -0.99 4.02 4.81 -1.92 -2.56 114.58 119.96 1nr1 h GLU 449 Ca -0.27 0.01 0.33 0.00 -0.13 0.00 0.00 59.36 59.30 1nr1 h GLU 449 Cb 1.25 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 30.49 1nr1 h GLU 449 CO 0.36 -0.11 0.26 1.57 -0.73 0.00 0.00 179.01 180.36 1nr1 h LYS 450 N -0.17 0.03 -0.31 1.92 2.10 -1.92 0.77 116.57 119.00 1nr1 h LYS 450 Ca 0.03 -0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.74 1nr1 h LYS 450 Cb 0.20 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.44 1nr1 h LYS 450 CO -0.07 0.02 -0.40 -0.44 -2.00 0.00 0.00 179.45 176.55 1nr1 h ASP 451 N 0.03 -1.31 0.04 7.07 3.32 -1.81 0.84 116.42 124.59 1nr1 h ASP 451 Ca 0.70 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.94 1nr1 h ASP 451 Cb 1.64 0.57 -0.00 0.00 0.22 0.00 0.00 39.33 41.75 1nr1 h ASP 451 CO -0.84 -0.38 -0.02 0.40 -1.72 0.00 0.00 179.24 176.68 1nr1 h ILE 452 N -0.37 0.83 0.10 0.35 2.04 0.42 0.14 117.51 121.02 1nr1 h ILE 452 Ca 0.12 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1nr1 h ILE 452 Cb 0.59 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1nr1 h ILE 452 CO -0.50 0.02 -0.05 0.58 0.00 0.00 0.00 178.15 178.20 1nr1 h VAL 453 N 0.00 0.00 -0.94 1.67 2.07 0.04 -2.60 116.25 116.49 1nr1 h VAL 453 Ca -0.00 -0.52 0.27 0.00 0.82 0.00 0.00 66.70 67.27 1nr1 h VAL 453 Cb 0.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1nr1 h VAL 453 CO 0.00 0.00 0.98 0.45 0.02 0.00 0.00 177.57 179.03 1nr1 h HIS 454 N -0.66 0.00 0.24 1.57 3.86 0.95 0.54 115.15 121.64 1nr1 h HIS 454 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1nr1 h HIS 454 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1nr1 h HIS 454 CO 0.01 0.00 -0.11 1.03 0.86 0.00 0.00 177.93 179.72 1nr1 h SER 455 N 0.00 -0.27 -0.96 2.45 0.87 -1.01 -2.85 113.55 111.78 1nr1 h SER 455 Ca 0.45 0.01 0.29 0.00 -1.23 0.00 0.00 61.79 61.30 1nr1 h SER 455 Cb 2.41 0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 64.29 1nr1 h SER 455 CO -0.00 0.08 0.44 1.23 -0.53 0.00 0.00 176.83 178.04 1nr1 h GLY 456 N -0.86 1.79 0.92 5.77 0.00 0.32 0.33 103.07 111.35 1nr1 h GLY 456 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1nr1 h GLY 456 CO 0.05 -0.44 -0.44 -2.00 0.00 0.00 0.00 176.54 173.71 1nr1 h LEU 457 N 0.28 -1.08 -0.32 3.11 6.46 -0.76 -1.51 115.31 121.50 1nr1 h LEU 457 Ca 0.66 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.54 1nr1 h LEU 457 Cb 1.45 0.30 -0.08 0.00 -0.73 0.00 0.00 40.66 41.60 1nr1 h LEU 457 CO -0.63 -0.71 -0.23 0.00 -0.62 0.00 0.00 178.44 176.25 1nr1 h ALA 458 N -1.02 -0.04 -0.52 1.25 0.00 -0.53 0.23 119.26 118.63 1nr1 h ALA 458 Ca -0.11 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1nr1 h ALA 458 Cb 0.91 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1nr1 h ALA 458 CO 0.15 -0.63 0.14 -0.92 0.00 0.00 0.00 179.25 178.00 1nr1 h TYR 459 N -0.19 0.24 0.83 0.00 5.03 -0.36 -0.97 116.97 121.56 1nr1 h TYR 459 Ca 0.16 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.46 1nr1 h TYR 459 Cb 0.45 -0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.71 1nr1 h TYR 459 CO -0.42 0.04 -0.40 1.15 -1.32 0.00 0.00 178.16 177.21 1nr1 h THR 460 N 0.30 0.00 -0.94 1.81 2.02 -0.24 -1.68 112.91 114.17 1nr1 h THR 460 Ca 0.26 -0.11 0.29 0.00 0.77 0.00 0.00 66.41 67.62 1nr1 h THR 460 Cb 0.33 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.58 1nr1 h THR 460 CO -0.30 0.00 0.28 0.24 0.37 0.00 0.00 175.52 176.10 1nr1 h MET 461 N -1.23 0.13 0.00 6.66 2.86 -0.49 -1.29 114.93 121.56 1nr1 h MET 461 Ca -0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1nr1 h MET 461 Cb 0.86 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1nr1 h MET 461 CO 0.19 0.09 0.00 -1.91 1.06 0.00 0.00 176.91 176.33 1nr1 n GLU 462 N -5.28 0.00 0.19 1.72 2.13 -0.38 -1.64 120.64 117.39 1nr1 n GLU 462 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1nr1 n GLU 462 Cb 0.85 -0.76 0.00 0.00 0.27 0.00 0.00 31.44 31.80 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 -1.62 0.00 -0.09 4.31 0.00 -0.65 0.16 120.51 122.62 1nr1 n ALA 463 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1nr1 n ALA 463 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.04 -0.46 0.00 0.02 -1.20 -2.91 113.55 109.04 1nr1 h SER 464 Ca 0.00 -0.56 0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1nr1 h SER 464 Cb 1.37 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.83 1nr1 h SER 464 CO 0.00 1.51 -0.39 0.00 -1.14 0.00 0.00 176.83 176.81 1nr1 h ALA 465 N -0.43 -0.51 -0.70 3.77 0.00 0.25 0.52 119.26 122.16 1nr1 h ALA 465 Ca -0.35 0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1nr1 h ALA 465 Cb 1.36 1.12 -0.13 0.00 0.00 0.00 0.00 17.79 20.14 1nr1 h ALA 465 CO -0.18 -0.74 -0.28 0.00 0.00 0.00 0.00 179.25 178.04 1nr1 h ARG 466 N -0.15 -0.08 -0.99 0.00 2.47 -1.66 0.24 114.38 114.21 1nr1 h ARG 466 Ca 0.08 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 1nr1 h ARG 466 Cb 0.35 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 1nr1 h ARG 466 CO -0.51 -0.05 0.63 1.96 0.56 0.00 0.00 179.97 182.55 1nr1 h GLN 467 N -0.08 1.04 -0.34 0.04 4.20 -0.14 0.43 115.11 120.26 1nr1 h GLN 467 Ca 0.30 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 1nr1 h GLN 467 Cb 0.56 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1nr1 h GLN 467 CO -0.75 0.69 -0.07 0.82 -0.67 0.00 0.00 178.83 178.84 1nr1 h ILE 468 N 1.07 1.28 0.01 2.54 2.04 0.28 -1.59 117.51 123.15 1nr1 h ILE 468 Ca 0.46 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1nr1 h ILE 468 Cb 0.31 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1nr1 h ILE 468 CO -0.22 0.37 -0.01 0.24 0.00 0.00 0.00 178.15 178.53 1nr1 h MET 469 N 0.43 -0.01 -0.75 2.37 2.86 -0.02 -0.07 114.93 119.73 1nr1 h MET 469 Ca 0.09 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 58.03 1nr1 h MET 469 Cb 0.57 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.10 1nr1 h MET 469 CO 0.03 -0.01 0.35 -2.13 1.06 0.00 0.00 176.91 176.22 1nr1 n ARG 470 N -2.11 -0.05 0.15 1.72 0.63 0.14 -0.13 116.66 117.02 1nr1 n ARG 470 Ca -0.00 1.05 -0.11 0.00 -0.92 0.00 0.00 57.85 57.87 1nr1 n ARG 470 Cb 0.01 -1.85 -0.07 0.00 0.45 0.00 0.00 32.46 31.00 1nr1 n ARG 470 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1nr1 h THR 471 N 0.00 0.48 -1.59 5.15 2.02 -0.79 -1.75 112.91 116.43 1nr1 h THR 471 Ca 0.61 -0.75 0.46 0.00 0.77 0.00 0.00 66.41 67.50 1nr1 h THR 471 Cb 1.59 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1nr1 h THR 471 CO -0.60 0.11 1.22 0.00 0.37 0.00 0.00 175.52 176.62 1nr1 h ALA 472 N -0.62 3.49 0.00 6.16 0.00 0.14 1.32 119.26 129.76 1nr1 h ALA 472 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nr1 h ALA 472 Cb 0.51 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nr1 h ALA 472 CO 0.07 -2.03 -1.02 -1.33 0.00 0.00 0.00 179.25 174.94 1nr1 n MET 473 N -3.88 0.57 0.09 0.00 2.00 -0.84 0.20 117.12 115.26 1nr1 n MET 473 Ca 0.35 0.10 -0.15 0.00 0.00 0.00 0.00 57.70 58.00 1nr1 n MET 473 Cb 1.70 -1.80 -0.14 0.00 0.00 0.00 0.00 33.22 32.99 1nr1 n MET 473 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1nr1 h LYS 474 N 0.00 0.24 -0.41 0.03 3.64 0.25 -3.28 116.57 117.05 1nr1 h LYS 474 Ca 0.00 -0.40 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 1nr1 h LYS 474 Cb 0.97 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1nr1 h LYS 474 CO 0.00 1.16 0.05 0.66 -2.27 0.00 0.00 179.45 179.05 1nr1 n TYR 475 N -3.49 1.39 -3.89 1.91 4.01 0.06 -5.00 117.16 112.14 1nr1 n TYR 475 Ca -0.10 -1.10 -0.34 0.00 -0.16 0.00 0.00 57.90 56.21 1nr1 n TYR 475 Cb 1.02 -0.45 0.01 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.51 -3.58 -4.84 7.72 4.13 -0.78 -4.97 115.26 112.44 1nr1 n ASN 476 Ca 0.29 -1.01 -0.21 0.00 1.68 0.00 0.00 54.58 55.33 1nr1 n ASN 476 Cb 1.06 -1.31 -0.04 0.00 -1.54 0.00 0.00 39.78 37.94 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 -6.25 3.44 0.00 3.41 1.43 0.54 -4.99 118.68 116.26 1nr1 s LEU 477 Ca 0.28 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1nr1 s LEU 477 Cb -0.16 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1nr1 s LEU 477 CO 0.79 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1nr1 n GLY 478 N -1.40 0.27 2.27 -3.19 0.00 -1.26 -4.60 105.19 97.28 1nr1 n GLY 478 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 7.23 -3.66 0.99 4.32 -1.26 -4.61 117.00 120.01 1nr1 n LEU 479 Ca 0.00 -4.35 -0.35 0.00 -0.02 0.00 0.00 56.01 51.29 1nr1 n LEU 479 Cb 0.00 -0.87 -0.03 0.00 -1.62 0.00 0.00 43.42 40.90 1nr1 n LEU 479 CO 0.00 1.57 0.65 -0.67 -1.22 0.00 0.00 177.39 177.72 1nr1 n ASP 480 N -0.89 5.26 0.15 -1.43 2.03 -1.26 -4.07 116.55 116.35 1nr1 n ASP 480 Ca 0.60 -3.47 0.01 0.00 0.52 0.00 0.00 54.79 52.45 1nr1 n ASP 480 Cb 0.73 -0.96 0.31 0.00 -0.72 0.00 0.00 41.12 40.47 1nr1 n ASP 480 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nr1 h LEU 481 N 4.64 0.08 -0.15 -2.67 4.07 -1.82 -3.09 115.31 116.37 1nr1 h LEU 481 Ca 0.22 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.17 1nr1 h LEU 481 Cb 0.60 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1nr1 h LEU 481 CO 1.08 0.46 0.04 -0.09 -1.08 0.00 0.00 178.44 178.86 1nr1 h ARG 482 N 0.06 0.11 -0.01 1.13 2.43 -1.89 0.83 114.38 117.04 1nr1 h ARG 482 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nr1 h ARG 482 Cb 0.72 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1nr1 h ARG 482 CO 0.05 0.07 -0.07 0.25 -1.51 0.00 0.00 179.97 178.76 1nr1 n THR 483 N -5.07 0.00 0.03 0.20 -2.24 -1.22 -2.28 114.28 103.70 1nr1 n THR 483 Ca -0.04 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1nr1 n THR 483 Cb 0.07 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 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 4.01 0.64 0.48 6.98 0.00 -1.30 -2.99 119.26 127.08 1nr1 h ALA 484 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1nr1 h ALA 484 Cb 0.39 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nr1 h ALA 484 CO 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 179.25 180.21 1nr1 h ALA 485 N 1.19 -0.69 -0.04 0.00 0.00 -0.74 -2.30 119.26 116.68 1nr1 h ALA 485 Ca -0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1nr1 h ALA 485 Cb 1.75 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1nr1 h ALA 485 CO 0.08 -0.64 0.05 1.88 0.00 0.00 0.00 179.25 180.62 1nr1 h TYR 486 N -1.09 0.00 0.22 0.00 0.05 -1.59 0.99 116.97 115.55 1nr1 h TYR 486 Ca -0.07 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.39 1nr1 h TYR 486 Cb 0.50 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.27 1nr1 h TYR 486 CO 0.01 0.00 -1.41 0.28 -1.05 0.00 0.00 178.16 175.99 1nr1 h VAL 487 N 0.00 1.34 -0.96 -2.88 2.07 -1.57 -1.83 116.25 112.42 1nr1 h VAL 487 Ca 0.02 -2.79 0.03 0.00 0.82 0.00 0.00 66.70 64.78 1nr1 h VAL 487 Cb 0.13 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1nr1 h VAL 487 CO -0.00 0.83 0.63 -1.13 0.02 0.00 0.00 177.57 177.92 1nr1 h ASN 488 N 0.13 1.06 0.25 0.57 -1.24 -0.53 0.18 115.58 116.01 1nr1 h ASN 488 Ca -0.22 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 1nr1 h ASN 488 Cb 2.11 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.92 1nr1 h ASN 488 CO 0.26 0.74 -0.12 0.00 -1.29 0.00 0.00 177.43 177.01 1nr1 h ALA 489 N 1.38 -0.82 -0.96 1.57 0.00 -0.89 -2.94 119.26 116.60 1nr1 h ALA 489 Ca 0.37 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.48 1nr1 h ALA 489 Cb -0.04 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1nr1 h ALA 489 CO -0.11 -0.80 0.48 0.82 0.00 0.00 0.00 179.25 179.65 1nr1 h ILE 490 N -0.43 0.37 -0.95 0.00 1.08 -1.15 0.51 117.51 116.94 1nr1 h ILE 490 Ca -0.03 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1nr1 h ILE 490 Cb 0.26 -0.02 -0.07 0.00 -3.07 0.00 0.00 36.82 33.92 1nr1 h ILE 490 CO 0.06 0.07 0.60 -0.33 -0.69 0.00 0.00 178.15 177.86 1nr1 h GLU 491 N 0.36 1.06 0.37 2.37 5.08 -0.69 -0.14 114.58 122.98 1nr1 h GLU 491 Ca 0.66 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.94 1nr1 h GLU 491 Cb 1.39 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1nr1 h GLU 491 CO -0.58 0.70 -0.18 0.87 -1.00 0.00 0.00 179.01 178.82 1nr1 h LYS 492 N 1.09 -0.48 -0.93 2.33 1.57 0.17 -2.33 116.57 117.99 1nr1 h LYS 492 Ca 0.42 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.37 1nr1 h LYS 492 Cb 0.19 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.46 1nr1 h LYS 492 CO -0.18 -0.32 -0.40 0.28 -0.57 0.00 0.00 179.45 178.26 1nr1 h VAL 493 N -0.72 0.03 -0.49 0.50 2.07 -1.21 0.13 116.25 116.56 1nr1 h VAL 493 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1nr1 h VAL 493 Cb 0.38 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 1nr1 h VAL 493 CO 0.08 0.00 -0.10 0.15 0.02 0.00 0.00 177.57 177.73 1nr1 h PHE 494 N -0.03 -0.21 -0.44 1.57 3.57 -1.08 -2.11 116.94 118.22 1nr1 h PHE 494 Ca 0.31 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.94 1nr1 h PHE 494 Cb 0.58 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1nr1 h PHE 494 CO -0.85 -0.19 0.03 -0.22 -2.23 0.00 0.00 178.31 174.86 1nr1 h LYS 495 N 0.02 0.15 0.06 1.11 3.64 -0.39 0.85 116.57 122.01 1nr1 h LYS 495 Ca 0.24 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1nr1 h LYS 495 Cb 0.37 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1nr1 h LYS 495 CO -0.49 0.10 -0.52 0.28 -2.27 0.00 0.00 179.45 176.55 1nr1 h VAL 496 N 0.15 0.00 -0.54 2.00 2.07 -1.01 0.81 116.25 119.73 1nr1 h VAL 496 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1nr1 h VAL 496 Cb 0.30 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 1nr1 h VAL 496 CO -0.33 0.00 0.20 1.88 0.02 0.00 0.00 177.57 179.33 1nr1 h TYR 497 N -0.69 0.34 -0.26 1.57 0.05 -0.93 -2.90 116.97 114.15 1nr1 h TYR 497 Ca 0.00 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1nr1 h TYR 497 Cb 0.72 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1nr1 h TYR 497 CO -0.48 0.10 0.05 -0.97 -1.05 0.00 0.00 178.16 175.81 1nr1 h ASN 498 N 0.38 0.01 0.00 3.88 -0.00 0.14 0.25 115.58 120.24 1nr1 h ASN 498 Ca 0.26 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 1nr1 h ASN 498 Cb 0.30 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.67 1nr1 h ASN 498 CO -0.27 0.04 0.00 -0.62 -0.00 0.00 0.00 177.43 176.58 1nr1 n GLU 499 N -5.09 0.59 0.00 6.67 4.71 0.21 -4.13 120.64 123.61 1nr1 n GLU 499 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1nr1 n GLU 499 Cb 0.11 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 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 0.42 1.12 0.00 0.62 0.00 -0.94 -5.06 120.51 116.67 1nr1 n ALA 500 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nr1 n ALA 500 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.02 -0.69 0.00 0.00 0.00 0.04 -3.63 105.19 100.88 1nr1 n GLY 501 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.02 1.61 0.24 -1.26 -4.69 118.33 114.25 1nr1 n VAL 502 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1nr1 n VAL 502 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.65 0.00 -1.69 3.34 -2.24 -1.26 -4.09 114.28 107.69 1nr1 n THR 503 Ca 0.00 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1nr1 n THR 503 Cb 0.00 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.55 3.09 1.28 4.78 0.99 -1.26 -5.25 117.46 119.55 1nr1 n PHE 504 Ca -0.00 -2.73 0.13 0.00 -0.00 0.00 0.00 57.45 54.85 1nr1 n PHE 504 Cb 0.08 -1.04 0.34 0.00 -1.00 0.00 0.00 39.48 37.86 1nr1 n PHE 504 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39