#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r94 s GLU 22 N 0.00 3.54 -0.33 0.03 2.02 -0.41 -4.92 118.70 118.63 2r94 s GLU 22 Ca 0.00 -0.23 -0.11 0.00 0.02 0.00 0.00 54.97 54.65 2r94 s GLU 22 Cb 0.00 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 2r94 s GLU 22 CO 0.00 0.56 0.19 0.42 0.02 0.00 0.00 175.26 176.45 2r94 s ILE 23 N -1.53 4.86 -0.16 -1.63 1.01 -1.26 -1.44 121.20 121.06 2r94 s ILE 23 Ca 0.36 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 2r94 s ILE 23 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2r94 s ILE 23 CO 0.24 -0.00 0.03 -0.69 0.00 0.00 0.00 174.94 174.52 2r94 s VAL 24 N 1.65 4.54 -0.28 2.92 1.01 0.35 -0.15 120.40 130.43 2r94 s VAL 24 Ca 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 2r94 s VAL 24 Cb -0.17 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2r94 s VAL 24 CO 0.08 0.50 0.17 0.00 0.00 0.00 0.00 175.10 175.86 2r94 s ALA 25 N 0.07 3.47 -0.94 5.51 0.00 -0.18 -2.39 121.76 127.30 2r94 s ALA 25 Ca 0.04 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 2r94 s ALA 25 Cb -0.13 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.62 2r94 s ALA 25 CO 0.01 -0.55 1.37 -1.25 0.00 0.00 0.00 175.76 175.34 2r94 s PRO 26 N 1.74 3.48 0.34 0.00 0.04 -1.26 -0.20 135.00 139.14 2r94 s PRO 26 Ca 0.07 -0.95 -0.26 0.00 0.04 0.00 0.00 61.00 59.90 2r94 s PRO 26 Cb -0.16 -5.02 -0.10 0.00 0.04 0.00 0.00 34.50 29.27 2r94 s PRO 26 CO 0.10 -2.15 0.98 0.54 0.04 0.00 0.00 177.00 176.51 2r94 s VAL 27 N 4.96 4.03 0.60 -0.36 0.11 -0.74 -4.49 120.40 124.51 2r94 s VAL 27 Ca 0.42 1.66 -0.16 0.00 -2.93 0.00 0.00 61.98 60.96 2r94 s VAL 27 Cb -0.03 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2r94 s VAL 27 CO -0.04 0.11 1.09 0.27 -3.33 0.00 0.00 175.10 173.20 2r94 s ILE 28 N -1.61 3.49 -0.22 7.04 -4.36 -1.26 -3.37 121.20 120.92 2r94 s ILE 28 Ca 0.52 0.75 -0.10 0.00 -0.26 0.00 0.00 60.65 61.57 2r94 s ILE 28 Cb -0.20 -3.27 -0.05 0.00 1.25 0.00 0.00 42.46 40.19 2r94 s ILE 28 CO 0.26 -0.37 0.13 -0.89 0.24 0.00 0.00 174.94 174.31 2r94 s THR 29 N -2.26 5.28 -0.53 8.37 2.01 -1.26 -4.92 115.64 122.34 2r94 s THR 29 Ca 0.67 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.75 2r94 s THR 29 Cb -0.19 -3.43 0.14 0.00 0.01 0.00 0.00 72.50 69.02 2r94 s THR 29 CO 0.35 0.40 0.38 0.28 -0.69 0.00 0.00 174.62 175.34 2r94 s THR 30 N 0.68 4.02 0.16 -0.82 -1.32 -1.26 -4.62 115.64 112.47 2r94 s THR 30 Ca 0.07 -2.19 -0.05 0.00 -1.21 0.00 0.00 61.69 58.31 2r94 s THR 30 Cb -0.12 -3.64 -0.06 0.00 -1.51 0.00 0.00 72.50 67.17 2r94 s THR 30 CO 0.01 -0.81 0.40 -0.36 -2.21 0.00 0.00 174.62 171.66 2r94 s PHE 31 N 0.87 3.47 -0.05 9.09 0.40 -0.38 -1.12 117.98 130.25 2r94 s PHE 31 Ca 0.10 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 56.97 2r94 s PHE 31 Cb -0.23 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.30 2r94 s PHE 31 CO -0.03 0.41 0.13 0.50 0.70 0.00 0.00 175.22 176.93 2r94 s ARG 32 N -2.74 0.13 0.00 0.44 3.52 0.22 -0.50 118.95 120.01 2r94 s ARG 32 Ca 0.42 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 2r94 s ARG 32 Cb -0.12 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 2r94 s ARG 32 CO 0.25 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 2r94 n GLY 33 N 3.45 2.24 0.00 8.12 0.00 -1.26 -2.47 105.19 115.27 2r94 n GLY 33 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2r94 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r94 n GLY 34 N 0.00 0.00 3.52 -0.02 0.00 -1.26 -5.15 105.19 102.28 2r94 n GLY 34 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2r94 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r94 s ARG 35 N 0.00 1.87 0.21 1.61 0.52 -1.03 -5.04 118.95 117.09 2r94 s ARG 35 Ca 0.00 -1.42 -0.31 0.00 -0.52 0.00 0.00 55.73 53.47 2r94 s ARG 35 Cb 0.00 -2.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.35 2r94 s ARG 35 CO 0.00 0.40 1.62 -1.17 0.02 0.00 0.00 175.30 176.17 2r94 s LEU 36 N -2.95 4.37 -0.51 2.53 0.20 -1.26 -0.61 118.68 120.45 2r94 s LEU 36 Ca 0.25 2.77 -0.05 0.00 0.69 0.00 0.00 54.13 57.79 2r94 s LEU 36 Cb -0.08 -3.61 0.13 0.00 -0.43 0.00 0.00 46.19 42.21 2r94 s LEU 36 CO 0.14 -0.88 0.33 -0.62 -0.29 0.00 0.00 176.35 175.03 2r94 s ASP 37 N 0.97 5.42 0.14 3.68 -1.08 -0.28 -4.79 116.67 120.74 2r94 s ASP 37 Ca 0.70 -2.28 0.18 0.00 -0.52 0.00 0.00 52.55 50.62 2r94 s ASP 37 Cb -0.46 -1.90 0.77 0.00 -1.46 0.00 0.00 42.92 39.87 2r94 s ASP 37 CO 0.35 -0.53 1.55 -0.81 0.52 0.00 0.00 175.17 176.25 2r94 n PRO 38 N 4.30 0.09 -0.04 4.34 -0.04 -1.26 -2.57 135.00 139.82 2r94 n PRO 38 Ca 0.00 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2r94 n PRO 38 Cb 0.40 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 2r94 n PRO 38 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2r94 n GLU 39 N -1.88 0.66 -0.29 0.54 0.00 -1.26 -1.84 120.64 116.57 2r94 n GLU 39 Ca 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 57.16 57.23 2r94 n GLU 39 Cb 0.17 -1.65 0.07 0.00 0.00 0.00 0.00 31.44 30.02 2r94 n GLU 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2r94 h LEU 40 N 0.00 1.04 0.44 4.31 3.38 -1.85 -2.04 115.31 120.59 2r94 h LEU 40 Ca -0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2r94 h LEU 40 Cb 1.93 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2r94 h LEU 40 CO 0.04 0.88 -0.21 0.15 0.09 0.00 0.00 178.44 179.39 2r94 h PHE 41 N 1.12 -0.55 -0.35 1.13 3.57 -1.50 0.47 116.94 120.84 2r94 h PHE 41 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2r94 h PHE 41 Cb 0.11 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2r94 h PHE 41 CO 0.01 -0.30 0.20 0.00 -2.23 0.00 0.00 178.31 176.00 2r94 h ALA 42 N -0.15 0.43 -0.73 2.41 0.00 -1.42 0.24 119.26 120.04 2r94 h ALA 42 Ca -0.06 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.98 2r94 h ALA 42 Cb 0.50 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2r94 h ALA 42 CO 0.10 -0.15 0.25 -0.97 0.00 0.00 0.00 179.25 178.48 2r94 h ASN 43 N 0.41 0.19 0.05 0.00 -0.00 -1.11 0.03 115.58 115.15 2r94 h ASN 43 Ca 0.14 0.12 -0.00 0.00 -0.00 0.00 0.00 56.30 56.55 2r94 h ASN 43 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 2r94 h ASN 43 CO -0.06 0.06 -0.02 -0.74 -0.00 0.00 0.00 177.43 176.67 2r94 h HIS 44 N 0.38 -0.06 -0.96 0.67 2.76 0.07 -1.22 115.15 116.78 2r94 h HIS 44 Ca 0.40 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.67 2r94 h HIS 44 Cb 0.62 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.53 2r94 h HIS 44 CO -0.20 0.32 0.60 0.28 -1.30 0.00 0.00 177.93 177.64 2r94 h VAL 45 N -0.45 0.97 -0.39 5.26 2.07 -0.20 -2.15 116.25 121.37 2r94 h VAL 45 Ca -0.01 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2r94 h VAL 45 Cb 0.40 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2r94 h VAL 45 CO 0.01 0.18 -0.03 0.11 0.02 0.00 0.00 177.57 177.86 2r94 h LYS 46 N 1.01 0.71 0.63 1.57 1.57 -0.54 -1.08 116.57 120.43 2r94 h LYS 46 Ca 0.45 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2r94 h LYS 46 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2r94 h LYS 46 CO -0.23 0.82 -0.46 -0.97 -0.57 0.00 0.00 179.45 178.05 2r94 h ASN 47 N 0.53 -1.19 0.14 0.86 -1.24 -0.76 -2.24 115.58 111.67 2r94 h ASN 47 Ca 0.11 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 2r94 h ASN 47 Cb 0.52 0.37 -0.00 0.00 0.73 0.00 0.00 38.32 39.94 2r94 h ASN 47 CO 0.03 -0.67 -0.13 0.16 -1.29 0.00 0.00 177.43 175.53 2r94 h ILE 48 N -1.04 1.05 0.00 2.57 3.07 -1.36 0.34 117.51 122.13 2r94 h ILE 48 Ca -0.08 -0.45 -0.04 0.00 1.55 0.00 0.00 64.86 65.84 2r94 h ILE 48 Cb 0.87 1.25 -0.01 0.00 -0.27 0.00 0.00 36.82 38.66 2r94 h ILE 48 CO 0.03 0.13 -0.20 0.71 -1.05 0.00 0.00 178.15 177.76 2r94 h THR 49 N 0.00 0.45 0.00 0.16 1.35 -1.07 -1.43 112.91 112.37 2r94 h THR 49 Ca -0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2r94 h THR 49 Cb 0.24 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2r94 h THR 49 CO 0.02 0.20 -0.30 -1.54 -0.25 0.00 0.00 175.52 173.65 2r94 n SER 50 N -3.28 0.35 -1.19 5.36 3.41 0.04 -3.90 113.62 114.40 2r94 n SER 50 Ca 0.01 0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.80 2r94 n SER 50 Cb 0.47 -0.09 0.29 0.00 -0.26 0.00 0.00 64.21 64.62 2r94 n SER 50 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2r94 n LYS 51 N -1.59 3.49 0.00 4.33 5.02 -0.62 -4.94 118.16 123.84 2r94 n LYS 51 Ca 0.06 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 2r94 n LYS 51 Cb 0.35 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2r94 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r94 n GLY 52 N 0.16 1.65 3.70 0.72 0.00 -1.10 -3.42 105.19 106.90 2r94 n GLY 52 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2r94 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r94 s VAL 53 N -1.98 3.86 -0.09 1.61 1.01 -0.71 -4.57 120.40 119.53 2r94 s VAL 53 Ca 0.00 1.27 0.08 0.00 0.00 0.00 0.00 61.98 63.33 2r94 s VAL 53 Cb 0.00 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 2r94 s VAL 53 CO 0.00 0.03 0.48 0.47 0.00 0.00 0.00 175.10 176.08 2r94 n ASP 54 N 4.81 1.15 -3.83 3.32 8.00 0.78 -4.51 116.55 126.27 2r94 n ASP 54 Ca 0.11 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.77 2r94 n ASP 54 Cb 0.45 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2r94 n ASP 54 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r94 s VAL 55 N -2.57 -0.02 -0.16 2.53 1.01 -1.09 -4.69 120.40 115.40 2r94 s VAL 55 Ca -0.11 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2r94 s VAL 55 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 2r94 s VAL 55 CO 0.80 0.03 0.48 -0.69 0.00 0.00 0.00 175.10 175.71 2r94 s VAL 56 N 0.33 5.16 -0.40 2.92 1.01 -0.37 -1.01 120.40 128.05 2r94 s VAL 56 Ca -0.03 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 2r94 s VAL 56 Cb -0.04 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.64 2r94 s VAL 56 CO -0.01 0.26 0.19 0.12 0.00 0.00 0.00 175.10 175.66 2r94 s PHE 57 N 1.10 3.55 0.03 5.22 5.36 0.71 -0.50 117.98 133.45 2r94 s PHE 57 Ca 0.24 -2.32 -0.15 0.00 -0.96 0.00 0.00 56.93 53.74 2r94 s PHE 57 Cb -0.15 -3.12 -0.06 0.00 -0.34 0.00 0.00 43.02 39.35 2r94 s PHE 57 CO 0.09 -0.95 0.45 0.54 -1.46 0.00 0.00 175.22 173.89 2r94 s VAL 58 N 1.17 4.96 -1.00 3.12 0.11 0.01 -1.78 120.40 126.99 2r94 s VAL 58 Ca 0.07 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2r94 s VAL 58 Cb -0.23 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2r94 s VAL 58 CO -0.04 0.54 0.00 0.00 -3.33 0.00 0.00 175.10 172.27 2r94 n ALA 59 N 1.69 -0.28 -1.00 1.54 0.00 -1.26 -0.77 120.51 120.43 2r94 n ALA 59 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2r94 n ALA 59 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2r94 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r94 n GLY 60 N -1.19 -1.84 0.11 0.00 0.00 -1.26 -3.28 105.19 97.73 2r94 n GLY 60 Ca -0.12 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 2r94 n GLY 60 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2r94 h THR 61 N -0.85 1.31 -0.58 2.61 2.02 -1.95 0.33 112.91 115.80 2r94 h THR 61 Ca 0.00 -1.08 0.10 0.00 0.77 0.00 0.00 66.41 66.20 2r94 h THR 61 Cb 0.00 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2r94 h THR 61 CO 0.00 0.31 0.39 0.74 0.37 0.00 0.00 175.52 177.33 2r94 h THR 62 N -0.08 0.88 -0.29 3.16 2.02 -1.89 0.88 112.91 117.58 2r94 h THR 62 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2r94 h THR 62 Cb 0.52 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2r94 h THR 62 CO 0.02 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.58 2r94 n GLY 63 N -1.53 0.65 2.31 2.16 0.00 -0.54 -4.36 105.19 103.88 2r94 n GLY 63 Ca 0.09 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2r94 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r94 n LEU 64 N 0.37 -1.13 -0.15 0.99 4.32 0.30 -4.27 117.00 117.42 2r94 n LEU 64 Ca 0.10 0.18 -0.04 0.00 -0.02 0.00 0.00 56.01 56.24 2r94 n LEU 64 Cb 0.31 -1.89 -0.04 0.00 -1.62 0.00 0.00 43.42 40.18 2r94 n LEU 64 CO 0.08 -0.44 0.35 0.61 -1.22 0.00 0.00 177.39 176.77 2r94 n GLY 65 N -1.31 -2.07 0.22 -0.72 0.00 1.00 0.33 105.19 102.64 2r94 n GLY 65 Ca -0.13 0.64 0.10 0.00 0.00 0.00 0.00 46.02 46.63 2r94 n GLY 65 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2r94 h PRO 66 N 0.00 0.00 -0.20 1.61 0.11 -1.82 0.21 132.00 131.91 2r94 h PRO 66 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2r94 h PRO 66 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2r94 h PRO 66 CO -0.34 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.45 2r94 n ALA 67 N -1.70 2.46 -2.83 -0.75 0.00 0.15 -4.95 120.51 112.89 2r94 n ALA 67 Ca -0.01 -0.79 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 2r94 n ALA 67 Cb 0.29 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 2r94 n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r94 s LEU 68 N -1.74 4.13 0.73 0.00 1.43 0.06 -5.10 118.68 118.19 2r94 s LEU 68 Ca 0.34 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 2r94 s LEU 68 Cb 0.21 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2r94 s LEU 68 CO 0.31 0.33 1.08 -0.94 0.23 0.00 0.00 176.35 177.35 2r94 s SER 69 N -1.45 5.12 0.26 2.29 1.04 -1.26 -4.83 113.70 114.86 2r94 s SER 69 Ca 0.20 1.41 -0.03 0.00 0.48 0.00 0.00 55.95 58.01 2r94 s SER 69 Cb -0.12 -2.24 0.40 0.00 0.10 0.00 0.00 66.02 64.16 2r94 s SER 69 CO 0.10 -1.58 1.85 0.25 0.98 0.00 0.00 173.24 174.84 2r94 h LEU 70 N -0.82 0.89 -0.20 2.42 5.85 -1.97 -0.83 115.31 120.64 2r94 h LEU 70 Ca -0.45 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2r94 h LEU 70 Cb 1.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2r94 h LEU 70 CO 0.59 0.54 0.01 -0.61 -0.34 0.00 0.00 178.44 178.64 2r94 h GLN 71 N 1.01 0.34 -0.83 1.25 -0.00 -1.99 0.63 115.11 115.52 2r94 h GLN 71 Ca 0.42 -0.10 0.13 0.00 -0.00 0.00 0.00 58.65 59.09 2r94 h GLN 71 Cb 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 27.48 27.61 2r94 h GLN 71 CO -0.20 0.52 0.44 0.93 0.00 0.00 0.00 178.83 180.53 2r94 h GLU 72 N 0.12 0.65 -0.04 1.69 5.08 -1.81 0.62 114.58 120.90 2r94 h GLU 72 Ca 0.06 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2r94 h GLU 72 Cb 0.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2r94 h GLU 72 CO 0.01 0.43 -0.51 0.87 -1.00 0.00 0.00 179.01 178.81 2r94 h LYS 73 N 0.67 0.10 -0.41 2.33 1.57 -0.56 -0.69 116.57 119.58 2r94 h LYS 73 Ca 0.44 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 2r94 h LYS 73 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2r94 h LYS 73 CO -0.32 0.59 0.17 0.52 -0.57 0.00 0.00 179.45 179.83 2r94 h MET 74 N 0.08 0.60 -0.29 3.15 2.86 0.08 0.12 114.93 121.53 2r94 h MET 74 Ca -0.00 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2r94 h MET 74 Cb 0.93 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2r94 h MET 74 CO 0.07 0.56 -0.33 1.49 1.06 0.00 0.00 176.91 179.76 2r94 h GLU 75 N 0.51 0.63 -0.33 1.72 4.81 -0.57 -1.50 114.58 119.85 2r94 h GLU 75 Ca 0.14 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.92 2r94 h GLU 75 Cb 0.18 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2r94 h GLU 75 CO -0.01 0.87 -0.44 1.25 -0.73 0.00 0.00 179.01 179.95 2r94 h LEU 76 N 0.53 0.91 -1.31 1.64 5.85 -1.08 -0.24 115.31 121.62 2r94 h LEU 76 Ca 0.06 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2r94 h LEU 76 Cb 0.83 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2r94 h LEU 76 CO 0.07 1.22 0.38 0.74 -0.34 0.00 0.00 178.44 180.50 2r94 h THR 77 N 0.68 1.18 0.04 1.05 2.02 -0.11 -1.15 112.91 116.62 2r94 h THR 77 Ca 0.04 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2r94 h THR 77 Cb 1.02 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2r94 h THR 77 CO 0.10 0.19 -0.02 0.44 0.37 0.00 0.00 175.52 176.60 2r94 h ASP 78 N 0.86 -0.05 -0.23 4.18 3.32 -0.98 -0.59 116.42 122.93 2r94 h ASP 78 Ca 0.23 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.84 2r94 h ASP 78 Cb -0.03 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2r94 h ASP 78 CO -0.04 0.44 0.11 0.00 -1.72 0.00 0.00 179.24 178.03 2r94 h ALA 79 N 0.36 0.28 -0.17 3.45 0.00 -0.74 -0.67 119.26 121.77 2r94 h ALA 79 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2r94 h ALA 79 Cb 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2r94 h ALA 79 CO 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 2r94 h ALA 80 N 1.12 0.02 0.00 0.00 0.00 -1.24 -0.03 119.26 119.13 2r94 h ALA 80 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2r94 h ALA 80 Cb 0.03 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2r94 h ALA 80 CO -0.07 -0.55 0.00 1.79 0.00 0.00 0.00 179.25 180.42 2r94 h THR 81 N -0.12 0.00 0.15 0.00 1.35 -0.76 -0.53 112.91 113.01 2r94 h THR 81 Ca 0.10 -0.35 -0.29 0.00 -0.55 0.00 0.00 66.41 65.32 2r94 h THR 81 Cb 0.27 1.19 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2r94 h THR 81 CO -0.24 0.00 -1.36 0.28 -0.25 0.00 0.00 175.52 173.95 2r94 h SER 82 N 0.00 0.51 0.88 5.36 0.02 -0.36 -3.38 113.55 116.57 2r94 h SER 82 Ca 0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2r94 h SER 82 Cb 0.52 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2r94 h SER 82 CO 0.00 1.45 -0.86 0.00 -1.14 0.00 0.00 176.83 176.28 2r94 h ALA 83 N 0.47 0.50 -2.72 3.77 0.00 -0.26 -3.48 119.26 117.55 2r94 h ALA 83 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2r94 h ALA 83 Cb 2.02 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 19.61 2r94 h ALA 83 CO 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.99 2r94 s ALA 84 N -3.27 -0.36 -0.22 0.00 0.00 -0.28 -4.59 121.76 113.05 2r94 s ALA 84 Ca 0.03 -0.12 0.20 0.00 0.00 0.00 0.00 51.96 52.07 2r94 s ALA 84 Cb 0.12 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2r94 s ALA 84 CO 0.77 -0.22 1.12 -0.09 0.00 0.00 0.00 175.76 177.33 2r94 h ARG 85 N 4.18 0.00 -4.09 0.00 2.43 -1.87 -3.41 114.38 111.63 2r94 h ARG 85 Ca -0.31 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.28 2r94 h ARG 85 Cb 1.19 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.35 2r94 h ARG 85 CO 0.41 0.17 -0.78 1.03 -1.51 0.00 0.00 179.97 179.29 2r94 s ARG 86 N -3.14 1.30 -0.04 0.20 0.52 -1.26 -4.91 118.95 111.62 2r94 s ARG 86 Ca 0.00 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2r94 s ARG 86 Cb 0.08 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 33.12 2r94 s ARG 86 CO 0.77 -0.62 -0.11 0.08 0.02 0.00 0.00 175.30 175.44 2r94 s VAL 87 N 1.54 1.00 -0.10 3.52 1.01 -1.26 -1.23 120.40 124.89 2r94 s VAL 87 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2r94 s VAL 87 Cb -0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2r94 s VAL 87 CO -0.07 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 174.49 2r94 s ILE 88 N 0.31 2.27 -0.13 2.22 1.01 0.34 -0.56 121.20 126.65 2r94 s ILE 88 Ca -0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 2r94 s ILE 88 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2r94 s ILE 88 CO 0.02 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 174.76 2r94 s VAL 89 N 0.21 3.70 -0.22 2.92 1.01 -0.92 -0.81 120.40 126.29 2r94 s VAL 89 Ca -0.14 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2r94 s VAL 89 Cb -0.17 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2r94 s VAL 89 CO 0.07 0.52 0.66 -1.58 0.00 0.00 0.00 175.10 174.77 2r94 s GLN 90 N 0.13 4.18 0.00 2.72 -0.44 0.05 -1.30 119.66 125.00 2r94 s GLN 90 Ca -0.02 0.65 0.08 0.00 -2.50 0.00 0.00 55.36 53.57 2r94 s GLN 90 Cb -0.14 -3.61 0.10 0.00 -1.64 0.00 0.00 33.01 27.72 2r94 s GLN 90 CO 0.03 -0.33 0.86 1.33 0.50 0.00 0.00 175.29 177.68 2r94 n VAL 91 N 4.91 0.24 -1.53 1.34 0.24 0.28 -4.78 118.33 119.02 2r94 n VAL 91 Ca -0.00 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 2r94 n VAL 91 Cb 0.49 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.88 2r94 n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r94 n ALA 92 N 0.40 -0.67 -3.32 2.33 0.00 -1.26 -4.25 120.51 113.75 2r94 n ALA 92 Ca 0.06 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 2r94 n ALA 92 Cb 0.24 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 2r94 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2r94 s SER 93 N -0.84 -0.34 0.00 0.00 0.15 -1.26 -4.83 113.70 106.58 2r94 s SER 93 Ca 0.63 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.75 2r94 s SER 93 Cb -0.59 0.43 0.85 0.00 -1.71 0.00 0.00 66.02 65.00 2r94 s SER 93 CO 0.57 -0.46 1.49 0.18 1.20 0.00 0.00 173.24 176.22 2r94 n LEU 94 N 1.34 0.00 -4.08 3.45 4.77 -1.26 -4.02 117.00 117.20 2r94 n LEU 94 Ca -0.20 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.45 2r94 n LEU 94 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2r94 n LEU 94 CO 0.21 0.00 -0.34 0.21 -1.33 0.00 0.00 177.39 176.14 2r94 s ASN 95 N -1.52 4.78 0.60 -1.43 3.84 -1.26 -5.01 114.94 114.94 2r94 s ASN 95 Ca 0.21 -1.78 0.33 0.00 0.21 0.00 0.00 52.86 51.83 2r94 s ASN 95 Cb 0.10 -1.65 1.94 0.00 -0.55 0.00 0.00 41.25 41.08 2r94 s ASN 95 CO 0.17 -0.33 2.27 0.00 -2.79 0.00 0.00 177.10 176.41 2r94 h ALA 96 N 7.79 1.38 -0.51 1.71 0.00 -2.00 0.39 119.26 128.01 2r94 h ALA 96 Ca -0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2r94 h ALA 96 Cb 1.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2r94 h ALA 96 CO 0.53 0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 179.35 2r94 h ASP 97 N 0.00 0.84 0.66 0.00 3.32 -1.95 -1.33 116.42 117.96 2r94 h ASP 97 Ca -0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 2r94 h ASP 97 Cb 0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2r94 h ASP 97 CO 0.00 0.91 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.94 2r94 h GLU 98 N 0.80 0.00 -0.04 3.56 5.08 -1.30 0.83 114.58 123.51 2r94 h GLU 98 Ca 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2r94 h GLU 98 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2r94 h GLU 98 CO 0.02 0.16 -0.21 0.00 -1.00 0.00 0.00 179.01 177.98 2r94 h ALA 99 N 1.84 0.08 -0.38 3.43 0.00 -1.30 -2.19 119.26 120.74 2r94 h ALA 99 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2r94 h ALA 99 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2r94 h ALA 99 CO 0.02 0.06 0.20 0.82 0.00 0.00 0.00 179.25 180.34 2r94 h ILE 100 N -0.36 1.16 -0.70 0.00 2.04 -1.10 -1.17 117.51 117.38 2r94 h ILE 100 Ca -0.01 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.43 2r94 h ILE 100 Cb 0.87 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2r94 h ILE 100 CO 0.04 0.17 0.46 0.00 0.00 0.00 0.00 178.15 178.82 2r94 h ALA 101 N 1.05 0.90 -0.22 1.87 0.00 -0.89 -1.87 119.26 120.10 2r94 h ALA 101 Ca 0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2r94 h ALA 101 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2r94 h ALA 101 CO -0.02 0.30 -0.40 1.25 0.00 0.00 0.00 179.25 180.37 2r94 h LEU 102 N 0.94 0.55 -0.25 0.00 5.85 -1.27 -0.97 115.31 120.15 2r94 h LEU 102 Ca 0.26 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2r94 h LEU 102 Cb -0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2r94 h LEU 102 CO -0.07 0.90 0.13 0.00 -0.34 0.00 0.00 178.44 179.05 2r94 h ALA 103 N 1.13 0.30 -0.62 1.25 0.00 -0.47 0.50 119.26 121.36 2r94 h ALA 103 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2r94 h ALA 103 Cb 0.89 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2r94 h ALA 103 CO 0.08 -0.27 0.29 0.87 0.00 0.00 0.00 179.25 180.22 2r94 h LYS 104 N 0.27 0.89 -0.43 0.00 1.57 -1.06 -0.70 116.57 117.11 2r94 h LYS 104 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2r94 h LYS 104 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2r94 h LYS 104 CO -0.07 0.72 0.24 -0.92 -0.57 0.00 0.00 179.45 178.85 2r94 h TYR 105 N 0.85 0.57 -0.30 -1.35 3.20 -0.55 -1.70 116.97 117.69 2r94 h TYR 105 Ca 0.21 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2r94 h TYR 105 Cb 0.12 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2r94 h TYR 105 CO 0.00 0.43 -0.04 0.00 -1.64 0.00 0.00 178.16 176.91 2r94 h ALA 106 N 1.10 0.23 -0.68 1.82 0.00 0.47 -1.50 119.26 120.70 2r94 h ALA 106 Ca 0.15 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2r94 h ALA 106 Cb 0.03 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2r94 h ALA 106 CO -0.03 -0.44 0.43 1.49 0.00 0.00 0.00 179.25 180.70 2r94 h GLU 107 N 0.04 0.81 0.00 0.00 4.81 -0.92 -1.79 114.58 117.54 2r94 h GLU 107 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2r94 h GLU 107 Cb 0.20 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2r94 h GLU 107 CO -0.27 0.54 -0.07 0.66 -0.73 0.00 0.00 179.01 179.14 2r94 h SER 108 N 0.84 0.00 -0.05 1.04 4.64 -0.46 0.16 113.55 119.72 2r94 h SER 108 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2r94 h SER 108 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2r94 h SER 108 CO -0.10 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 2r94 n ARG 109 N -3.37 1.59 -0.56 4.77 5.12 -0.65 -4.93 116.66 118.64 2r94 n ARG 109 Ca -0.01 -0.87 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2r94 n ARG 109 Cb 0.23 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 2r94 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2r94 n GLY 110 N 1.14 0.69 3.69 -0.13 0.00 0.55 -4.91 105.19 106.21 2r94 n GLY 110 Ca 0.19 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2r94 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r94 n ALA 111 N -0.32 1.11 0.13 4.61 0.00 -0.73 -4.78 120.51 120.53 2r94 n ALA 111 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2r94 n ALA 111 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 19.45 17.25 2r94 n ALA 111 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2r94 h GLU 112 N 1.88 0.00 -3.40 0.00 4.11 -1.17 -3.43 114.58 112.57 2r94 h GLU 112 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 2r94 h GLU 112 Cb 1.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 2r94 h GLU 112 CO 0.59 0.11 -0.02 0.00 0.07 0.00 0.00 179.01 179.76 2r94 s ALA 113 N -3.20 -0.76 0.29 1.06 0.00 -1.19 -4.09 121.76 113.87 2r94 s ALA 113 Ca 0.02 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.69 2r94 s ALA 113 Cb 0.08 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 24.02 2r94 s ALA 113 CO 0.75 -0.80 -0.11 0.14 0.00 0.00 0.00 175.76 175.74 2r94 s VAL 114 N -3.90 2.04 0.04 0.00 -7.23 -0.44 -2.16 120.40 108.74 2r94 s VAL 114 Ca 0.12 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2r94 s VAL 114 Cb -0.01 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2r94 s VAL 114 CO -0.01 -0.33 -0.04 0.00 -0.31 0.00 0.00 175.10 174.41 2r94 s ALA 115 N -2.76 0.34 -0.04 1.32 0.00 -0.42 0.06 121.76 120.25 2r94 s ALA 115 Ca 0.30 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 2r94 s ALA 115 Cb 0.01 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2r94 s ALA 115 CO 0.13 -0.19 0.10 0.45 0.00 0.00 0.00 175.76 176.26 2r94 s SER 116 N -1.91 -0.07 0.77 0.00 0.15 -0.42 -0.56 113.70 111.66 2r94 s SER 116 Ca -0.08 0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.62 2r94 s SER 116 Cb -0.05 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2r94 s SER 116 CO -0.03 -0.10 0.69 0.18 1.20 0.00 0.00 173.24 175.18 2r94 n LEU 117 N 3.74 1.68 -4.81 3.45 4.77 -1.24 -0.93 117.00 123.66 2r94 n LEU 117 Ca -0.21 0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 56.03 2r94 n LEU 117 Cb 0.54 -1.29 0.09 0.00 -2.33 0.00 0.00 43.42 40.43 2r94 n LEU 117 CO 0.21 -2.79 0.71 -2.84 -1.33 0.00 0.00 177.39 171.35 2r94 s PRO 118 N -3.19 2.11 0.13 3.23 0.02 -1.26 -4.77 135.00 131.27 2r94 s PRO 118 Ca 0.67 0.64 -0.35 0.00 0.02 0.00 0.00 61.00 61.98 2r94 s PRO 118 Cb -0.32 -1.92 -0.16 0.00 0.02 0.00 0.00 34.50 32.12 2r94 s PRO 118 CO 0.57 -1.60 1.30 -2.30 -0.33 0.00 0.00 177.00 174.64 2r94 n PRO 119 N -3.42 1.29 -3.60 5.54 -0.02 -1.26 -4.93 135.00 128.60 2r94 n PRO 119 Ca 0.07 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 2r94 n PRO 119 Cb 0.56 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 2r94 n PRO 119 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2r94 n TYR 120 N 2.21 0.50 0.00 6.00 0.18 -1.26 -4.82 117.16 119.96 2r94 n TYR 120 Ca 0.17 -1.59 0.00 0.00 1.88 0.00 0.00 57.90 58.36 2r94 n TYR 120 Cb 0.22 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 2r94 n TYR 120 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2r94 n TYR 121 N -0.71 0.00 -2.27 -3.48 9.36 -1.23 -4.88 117.16 113.94 2r94 n TYR 121 Ca -0.10 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.70 2r94 n TYR 121 Cb 0.39 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.08 2r94 n TYR 121 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2r94 s PHE 122 N 0.00 2.61 0.44 2.98 0.08 -1.26 -4.96 117.98 117.87 2r94 s PHE 122 Ca 0.00 0.75 -0.23 0.00 0.12 0.00 0.00 56.93 57.57 2r94 s PHE 122 Cb 0.00 -3.64 -0.08 0.00 -0.57 0.00 0.00 43.02 38.73 2r94 s PHE 122 CO 0.00 -2.43 1.15 -2.14 -0.10 0.00 0.00 175.22 171.70 2r94 s PRO 123 N 3.40 3.87 -1.47 0.24 0.02 -1.26 -4.24 135.00 135.56 2r94 s PRO 123 Ca 0.62 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 2r94 s PRO 123 Cb -0.27 -2.47 0.03 0.00 0.02 0.00 0.00 34.50 31.81 2r94 s PRO 123 CO 0.21 -0.45 0.74 0.54 -0.33 0.00 0.00 177.00 177.72 2r94 n ARG 124 N -0.34 -5.30 -1.22 5.54 1.74 -1.26 -4.98 116.66 110.84 2r94 n ARG 124 Ca 0.06 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.57 2r94 n ARG 124 Cb 0.48 -5.66 0.07 0.00 -1.02 0.00 0.00 32.46 26.32 2r94 n ARG 124 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2r94 n LEU 125 N -4.24 0.07 -4.89 0.55 4.77 -1.26 -5.00 117.00 106.99 2r94 n LEU 125 Ca -0.05 0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 56.20 2r94 n LEU 125 Cb 0.58 -1.16 0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2r94 n LEU 125 CO 0.55 -3.42 0.63 -0.94 -1.33 0.00 0.00 177.39 172.88 2r94 s SER 126 N -1.43 5.76 0.34 -1.43 1.04 -1.26 -4.93 113.70 111.78 2r94 s SER 126 Ca 0.63 1.03 0.03 0.00 0.48 0.00 0.00 55.95 58.11 2r94 s SER 126 Cb -0.35 -2.01 0.59 0.00 0.10 0.00 0.00 66.02 64.36 2r94 s SER 126 CO 0.60 -1.06 1.93 -0.33 0.98 0.00 0.00 173.24 175.37 2r94 h GLU 127 N -0.32 0.71 -0.93 4.02 5.08 -1.99 -1.94 114.58 119.21 2r94 h GLU 127 Ca -0.45 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 2r94 h GLU 127 Cb 1.24 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2r94 h GLU 127 CO 0.62 0.58 0.60 -0.09 -1.00 0.00 0.00 179.01 179.73 2r94 h ARG 128 N 0.70 1.15 0.63 2.33 2.43 -1.98 0.20 114.38 119.85 2r94 h ARG 128 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2r94 h ARG 128 Cb 0.13 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2r94 h ARG 128 CO -0.02 0.76 -0.30 1.96 -1.51 0.00 0.00 179.97 180.86 2r94 h GLN 129 N 1.19 -0.82 -0.92 0.20 4.20 -1.80 0.54 115.11 117.70 2r94 h GLN 129 Ca 0.36 0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.18 2r94 h GLN 129 Cb -0.04 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 2r94 h GLN 129 CO -0.11 -0.52 0.58 0.82 -0.67 0.00 0.00 178.83 178.94 2r94 h ILE 130 N -0.94 1.09 -0.37 2.54 2.04 -0.99 -0.27 117.51 120.61 2r94 h ILE 130 Ca -0.09 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 2r94 h ILE 130 Cb 0.68 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2r94 h ILE 130 CO 0.14 0.20 -0.27 0.00 0.00 0.00 0.00 178.15 178.23 2r94 h ALA 131 N 1.41 0.84 -0.48 1.87 0.00 -0.47 -2.61 119.26 119.81 2r94 h ALA 131 Ca 0.39 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2r94 h ALA 131 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2r94 h ALA 131 CO -0.16 0.64 -0.16 -0.22 0.00 0.00 0.00 179.25 179.35 2r94 h LYS 132 N 0.66 0.92 0.05 0.00 3.64 -0.15 -0.93 116.57 120.75 2r94 h LYS 132 Ca 0.08 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2r94 h LYS 132 Cb 0.79 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 2r94 h LYS 132 CO 0.06 1.01 -0.42 -0.92 -2.27 0.00 0.00 179.45 176.92 2r94 h TYR 133 N 0.81 -1.18 -0.41 1.91 3.20 -0.71 -0.67 116.97 119.91 2r94 h TYR 133 Ca 0.12 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2r94 h TYR 133 Cb 0.70 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2r94 h TYR 133 CO 0.04 -0.50 -0.06 0.74 -1.64 0.00 0.00 178.16 176.74 2r94 h PHE 134 N -0.60 0.86 -0.60 -3.82 0.04 -1.29 -2.34 116.94 109.18 2r94 h PHE 134 Ca 0.04 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 2r94 h PHE 134 Cb 0.66 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 2r94 h PHE 134 CO -0.40 0.87 0.29 0.00 -0.60 0.00 0.00 178.31 178.47 2r94 h ARG 135 N 0.59 0.84 -0.36 1.51 3.08 -1.11 -0.42 114.38 118.51 2r94 h ARG 135 Ca 0.11 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2r94 h ARG 135 Cb 0.57 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2r94 h ARG 135 CO 0.03 0.66 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.94 2r94 h ASP 136 N 0.84 0.69 -0.43 7.04 5.19 -0.94 -1.83 116.42 126.99 2r94 h ASP 136 Ca 0.21 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2r94 h ASP 136 Cb 0.09 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 2r94 h ASP 136 CO -0.03 0.89 0.25 -0.07 -3.12 0.00 0.00 179.24 177.16 2r94 h LEU 137 N 0.61 0.52 -0.43 1.55 4.07 -0.90 -2.71 115.31 118.02 2r94 h LEU 137 Ca 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2r94 h LEU 137 Cb 0.69 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2r94 h LEU 137 CO 0.05 0.44 0.19 0.00 -1.08 0.00 0.00 178.44 178.05 2r94 h SER 139 N 0.55 0.00 1.80 0.00 4.64 -1.32 -2.96 113.55 116.27 2r94 h SER 139 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2r94 h SER 139 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2r94 h SER 139 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2r94 h ALA 140 N 2.13 1.00 -2.37 5.18 0.00 -1.21 -3.47 119.26 120.52 2r94 h ALA 140 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2r94 h ALA 140 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 2r94 h ALA 140 CO 0.00 0.00 -0.65 0.14 0.00 0.00 0.00 179.25 178.74 2r94 s VAL 141 N -3.21 0.34 -0.40 0.00 -7.23 -1.12 -4.71 120.40 104.06 2r94 s VAL 141 Ca 0.07 -1.94 0.13 0.00 -1.81 0.00 0.00 61.98 58.43 2r94 s VAL 141 Cb 0.07 -2.12 -0.16 0.00 0.56 0.00 0.00 36.38 34.74 2r94 s VAL 141 CO 0.64 -0.43 0.45 -1.54 -0.31 0.00 0.00 175.10 173.91 2r94 n SER 142 N -0.17 1.06 -4.77 4.85 3.41 -1.26 -4.90 113.62 111.84 2r94 n SER 142 Ca -0.05 -0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 57.71 2r94 n SER 142 Cb 0.64 1.19 0.09 0.00 -0.26 0.00 0.00 64.21 65.86 2r94 n SER 142 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2r94 s ILE 143 N -2.41 3.40 0.44 -1.33 -4.36 -1.26 -4.97 121.20 110.72 2r94 s ILE 143 Ca 0.02 0.45 -0.25 0.00 -0.26 0.00 0.00 60.65 60.61 2r94 s ILE 143 Cb 0.09 -2.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.75 2r94 s ILE 143 CO 0.52 -0.59 1.33 -2.84 0.24 0.00 0.00 174.94 173.59 2r94 s PRO 144 N -4.93 3.76 -0.26 0.37 0.02 -1.26 -4.80 135.00 127.91 2r94 s PRO 144 Ca 0.61 2.19 -0.10 0.00 0.02 0.00 0.00 61.00 63.72 2r94 s PRO 144 Cb -0.17 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 2r94 s PRO 144 CO 0.56 -0.68 0.15 0.08 -0.33 0.00 0.00 177.00 176.78 2r94 s VAL 145 N -1.28 5.05 -0.08 3.83 1.01 -1.26 -1.33 120.40 126.34 2r94 s VAL 145 Ca 0.61 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 2r94 s VAL 145 Cb -0.39 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2r94 s VAL 145 CO 0.49 0.31 0.36 -0.36 0.00 0.00 0.00 175.10 175.89 2r94 s PHE 146 N 1.45 3.60 0.21 5.22 0.40 0.11 -0.72 117.98 128.25 2r94 s PHE 146 Ca 0.07 0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 56.90 2r94 s PHE 146 Cb -0.15 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 40.99 2r94 s PHE 146 CO 0.07 0.46 1.13 -1.17 0.70 0.00 0.00 175.22 176.40 2r94 s LEU 147 N -0.33 4.50 -0.35 -0.37 2.96 -0.45 -1.30 118.68 123.34 2r94 s LEU 147 Ca 0.21 2.18 -0.00 0.00 -0.22 0.00 0.00 54.13 56.30 2r94 s LEU 147 Cb -0.15 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.02 2r94 s LEU 147 CO 0.09 -0.24 0.08 -0.47 -1.32 0.00 0.00 176.35 174.49 2r94 s TYR 148 N -0.46 3.52 -0.15 5.38 5.04 -0.11 -1.10 117.35 129.47 2r94 s TYR 148 Ca 0.49 -2.40 -0.12 0.00 -2.44 0.00 0.00 57.07 52.59 2r94 s TYR 148 Cb -0.31 -2.72 -0.05 0.00 0.35 0.00 0.00 41.96 39.23 2r94 s TYR 148 CO 0.37 -0.91 0.26 1.21 -1.34 0.00 0.00 175.55 175.14 2r94 s ASN 149 N 1.36 6.43 -0.46 4.32 3.04 0.90 -3.71 114.94 126.82 2r94 s ASN 149 Ca 0.04 0.50 0.07 0.00 0.04 0.00 0.00 52.86 53.51 2r94 s ASN 149 Cb -0.21 -2.16 0.23 0.00 -1.54 0.00 0.00 41.25 37.58 2r94 s ASN 149 CO -0.04 0.17 0.74 0.00 -3.04 0.00 0.00 177.10 174.93 2r94 n TYR 150 N 3.20 -2.46 -0.28 0.43 -0.00 -1.26 -1.16 117.16 115.63 2r94 n TYR 150 Ca -0.14 -2.29 0.10 0.00 -0.00 0.00 0.00 57.90 55.57 2r94 n TYR 150 Cb 0.52 0.96 0.25 0.00 -0.00 0.00 0.00 39.34 41.07 2r94 n TYR 150 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2r94 h PRO 151 N 4.20 0.33 -0.16 2.98 0.11 -1.74 0.11 132.00 137.83 2r94 h PRO 151 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2r94 h PRO 151 Cb 0.99 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2r94 h PRO 151 CO 0.33 0.22 -0.07 0.00 -0.21 0.00 0.00 178.00 178.27 2r94 h ALA 152 N 1.67 1.58 0.13 -0.75 0.00 -1.87 0.52 119.26 120.53 2r94 h ALA 152 Ca 0.49 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 2r94 h ALA 152 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2r94 h ALA 152 CO -0.53 0.31 -1.94 0.00 0.00 0.00 0.00 179.25 177.09 2r94 h ALA 153 N 1.69 0.41 0.03 0.00 0.00 -1.72 -3.40 119.26 116.27 2r94 h ALA 153 Ca 0.05 -1.36 -0.24 0.00 0.00 0.00 0.00 54.91 53.36 2r94 h ALA 153 Cb 0.29 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2r94 h ALA 153 CO 0.01 1.29 -1.20 0.28 0.00 0.00 0.00 179.25 179.63 2r94 h VAL 154 N 0.07 1.49 0.00 0.00 2.07 -0.48 -3.44 116.25 115.96 2r94 h VAL 154 Ca -0.40 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 63.92 2r94 h VAL 154 Cb 2.04 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 34.60 2r94 h VAL 154 CO 0.10 0.87 0.00 0.61 0.02 0.00 0.00 177.57 179.17 2r94 n GLY 155 N 1.44 0.72 3.34 2.17 0.00 0.18 -3.55 105.19 109.48 2r94 n GLY 155 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2r94 n GLY 155 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2r94 s ARG 156 N -0.40 1.11 -0.03 1.61 1.70 -1.24 -4.96 118.95 116.74 2r94 s ARG 156 Ca 0.00 -0.70 0.08 0.00 -0.47 0.00 0.00 55.73 54.64 2r94 s ARG 156 Cb 0.00 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.85 2r94 s ARG 156 CO 0.00 -0.44 -0.26 0.34 -1.08 0.00 0.00 175.30 173.86 2r94 s ASP 157 N -2.80 3.03 -0.40 -2.89 2.15 -1.26 -3.97 116.67 110.52 2r94 s ASP 157 Ca 0.03 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 52.55 2r94 s ASP 157 Cb 0.01 -0.42 0.11 0.00 -0.30 0.00 0.00 42.92 42.33 2r94 s ASP 157 CO -0.11 0.31 0.15 -0.69 -0.17 0.00 0.00 175.17 174.66 2r94 s VAL 158 N -0.53 2.82 0.13 1.11 1.01 -1.26 -5.09 120.40 118.60 2r94 s VAL 158 Ca 0.08 -2.33 -0.02 0.00 0.00 0.00 0.00 61.98 59.71 2r94 s VAL 158 Cb -0.11 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2r94 s VAL 158 CO -0.00 -0.67 0.18 -0.90 0.00 0.00 0.00 175.10 173.71 2r94 n ASP 159 N 4.27 0.05 -0.09 3.32 5.68 -1.26 -4.62 116.55 123.90 2r94 n ASP 159 Ca 0.02 -1.09 -0.13 0.00 -0.50 0.00 0.00 54.79 53.08 2r94 n ASP 159 Cb 0.41 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 2r94 n ASP 159 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2r94 h ALA 160 N -1.64 0.56 -0.18 2.12 0.00 -1.88 0.11 119.26 118.35 2r94 h ALA 160 Ca -0.06 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2r94 h ALA 160 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2r94 h ALA 160 CO 0.05 0.68 0.07 -0.09 0.00 0.00 0.00 179.25 179.95 2r94 h ARG 161 N 0.70 0.15 -0.81 0.00 2.43 -1.92 0.88 114.38 115.81 2r94 h ARG 161 Ca 0.04 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2r94 h ARG 161 Cb 1.04 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2r94 h ARG 161 CO 0.10 0.10 0.53 0.00 -1.51 0.00 0.00 179.97 179.20 2r94 h ALA 162 N 1.11 1.04 -0.65 2.80 0.00 -1.79 -1.66 119.26 120.11 2r94 h ALA 162 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2r94 h ALA 162 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2r94 h ALA 162 CO -0.07 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.67 2r94 h ALA 163 N 1.31 0.94 -0.51 0.00 0.00 -0.46 -1.02 119.26 119.52 2r94 h ALA 163 Ca 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2r94 h ALA 163 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2r94 h ALA 163 CO -0.08 0.66 0.21 -0.22 0.00 0.00 0.00 179.25 179.81 2r94 h LYS 164 N 1.00 0.76 0.00 0.00 3.64 -0.43 -2.80 116.57 118.75 2r94 h LYS 164 Ca 0.20 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2r94 h LYS 164 Cb 0.45 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2r94 h LYS 164 CO 0.01 0.67 -0.15 1.49 -2.27 0.00 0.00 179.45 179.21 2r94 h GLU 165 N 0.68 0.00 -0.91 1.90 4.57 -0.92 -2.04 114.58 117.87 2r94 h GLU 165 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2r94 h GLU 165 Cb 0.19 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2r94 h GLU 165 CO -0.01 0.15 0.58 -0.07 -1.18 0.00 0.00 179.01 178.47 2r94 h LEU 166 N 0.00 1.07 0.00 1.64 3.38 -0.91 -3.46 115.31 117.02 2r94 h LEU 166 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2r94 h LEU 166 Cb 0.28 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2r94 h LEU 166 CO 0.02 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2r94 n GLY 167 N -1.29 0.45 0.26 0.83 0.00 -0.77 -4.86 105.19 99.81 2r94 n GLY 167 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2r94 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r94 s ILE 169 N 0.00 4.82 -1.62 0.00 -1.09 -1.26 -4.51 121.20 117.54 2r94 s ILE 169 Ca 0.00 1.81 0.18 0.00 -2.23 0.00 0.00 60.65 60.41 2r94 s ILE 169 Cb 0.00 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2r94 s ILE 169 CO 0.00 -0.02 0.92 0.54 -1.23 0.00 0.00 174.94 175.15 2r94 n ARG 170 N 5.37 1.53 -3.56 2.79 5.12 0.11 -4.87 116.66 123.15 2r94 n ARG 170 Ca 0.07 -0.84 -0.07 0.00 -1.93 0.00 0.00 57.85 55.08 2r94 n ARG 170 Cb 0.48 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.43 2r94 n ARG 170 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2r94 s GLY 171 N -2.09 -0.40 -0.03 -0.13 0.00 -1.25 -2.52 107.32 100.90 2r94 s GLY 171 Ca 0.15 0.96 -0.01 0.00 0.00 0.00 0.00 44.72 45.82 2r94 s GLY 171 CO 0.46 0.31 0.06 0.14 0.00 0.00 0.00 173.10 174.07 2r94 s VAL 172 N -3.00 -0.05 -0.25 1.40 1.01 0.73 -1.34 120.40 118.91 2r94 s VAL 172 Ca 0.07 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 2r94 s VAL 172 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2r94 s VAL 172 CO -0.06 0.07 0.06 -0.75 0.00 0.00 0.00 175.10 174.42 2r94 s LYS 173 N 0.96 3.63 -0.32 2.72 2.20 -0.26 -0.08 119.74 128.60 2r94 s LYS 173 Ca -0.08 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2r94 s LYS 173 Cb -0.11 -3.30 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2r94 s LYS 173 CO -0.03 -0.19 0.03 0.34 -0.36 0.00 0.00 175.35 175.14 2r94 s ASP 174 N 1.60 4.90 -0.70 1.43 2.15 -0.10 -0.07 116.67 125.87 2r94 s ASP 174 Ca 0.06 -1.55 -0.21 0.00 0.43 0.00 0.00 52.55 51.28 2r94 s ASP 174 Cb -0.15 -1.71 0.09 0.00 -0.30 0.00 0.00 42.92 40.85 2r94 s ASP 174 CO 0.03 -0.32 0.95 -0.89 -0.17 0.00 0.00 175.17 174.77 2r94 s THR 175 N 1.17 4.49 -0.26 1.71 2.01 -0.31 0.06 115.64 124.51 2r94 s THR 175 Ca -0.01 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 2r94 s THR 175 Cb -0.20 -4.67 0.07 0.00 0.01 0.00 0.00 72.50 67.71 2r94 s THR 175 CO -0.03 -1.41 0.65 0.21 -0.69 0.00 0.00 174.62 173.35 2r94 s ASN 176 N 3.66 -0.83 0.30 3.53 3.84 -1.26 -4.27 114.94 119.92 2r94 s ASN 176 Ca 0.22 1.39 0.26 0.00 0.21 0.00 0.00 52.86 54.94 2r94 s ASN 176 Cb -0.16 1.30 0.95 0.00 -0.55 0.00 0.00 41.25 42.79 2r94 s ASN 176 CO 0.06 -0.23 1.76 -0.33 -2.79 0.00 0.00 177.10 175.57 2r94 h GLU 177 N 6.55 0.00 -5.23 0.43 4.39 -1.99 -3.42 114.58 115.32 2r94 h GLU 177 Ca -0.31 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.74 2r94 h GLU 177 Cb 1.21 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.70 2r94 h GLU 177 CO 0.16 0.00 0.53 0.45 -1.16 0.00 0.00 179.01 178.99 2r94 s SER 178 N -4.65 6.27 0.43 1.42 0.15 -1.26 -4.88 113.70 111.18 2r94 s SER 178 Ca 0.06 -1.28 0.14 0.00 0.70 0.00 0.00 55.95 55.57 2r94 s SER 178 Cb 0.10 -2.39 0.94 0.00 -1.71 0.00 0.00 66.02 62.95 2r94 s SER 178 CO 0.49 -1.31 1.95 0.25 1.20 0.00 0.00 173.24 175.82 2r94 h LEU 179 N 10.93 0.00 -0.94 3.45 5.85 -2.00 -1.43 115.31 131.16 2r94 h LEU 179 Ca -0.20 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2r94 h LEU 179 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2r94 h LEU 179 CO 1.15 0.23 -0.15 0.00 -0.34 0.00 0.00 178.44 179.33 2r94 h ALA 180 N 1.77 1.11 0.16 1.25 0.00 -1.97 0.36 119.26 121.94 2r94 h ALA 180 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2r94 h ALA 180 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2r94 h ALA 180 CO 0.03 0.55 -0.08 1.25 0.00 0.00 0.00 179.25 181.01 2r94 h HIS 181 N 0.55 -0.20 -1.01 0.00 -0.00 -1.69 -0.12 115.15 112.67 2r94 h HIS 181 Ca 0.09 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 2r94 h HIS 181 Cb 0.58 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.98 2r94 h HIS 181 CO 0.02 -0.11 0.64 1.15 -0.00 0.00 0.00 177.93 179.64 2r94 h THR 182 N -0.24 1.01 -0.01 6.26 2.02 -1.02 -2.43 112.91 118.51 2r94 h THR 182 Ca -0.02 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.66 2r94 h THR 182 Cb 0.19 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 2r94 h THR 182 CO 0.04 0.20 -0.55 -0.07 0.37 0.00 0.00 175.52 175.51 2r94 h LEU 183 N 1.10 0.03 -1.63 2.58 3.38 -0.41 -2.56 115.31 117.79 2r94 h LEU 183 Ca 0.46 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.59 2r94 h LEU 183 Cb 0.31 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2r94 h LEU 183 CO -0.21 0.58 0.52 0.00 0.09 0.00 0.00 178.44 179.41 2r94 h ALA 184 N 1.43 2.22 -0.48 1.53 0.00 -0.51 -1.21 119.26 122.25 2r94 h ALA 184 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2r94 h ALA 184 Cb 0.98 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2r94 h ALA 184 CO 0.07 -0.45 0.21 1.88 0.00 0.00 0.00 179.25 180.96 2r94 h TYR 185 N 0.34 0.66 -0.08 0.00 0.05 -1.55 0.46 116.97 116.86 2r94 h TYR 185 Ca 0.39 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 59.06 2r94 h TYR 185 Cb 1.00 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 2r94 h TYR 185 CO -0.00 0.51 -0.35 0.87 -1.05 0.00 0.00 178.16 178.14 2r94 h LYS 186 N 0.67 0.15 -0.37 4.88 1.57 -1.36 0.66 116.57 122.76 2r94 h LYS 186 Ca 0.17 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2r94 h LYS 186 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2r94 h LYS 186 CO -0.02 0.49 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.14 2r94 h ARG 187 N 0.13 0.74 0.00 3.15 2.43 -0.76 -2.96 114.38 117.12 2r94 h ARG 187 Ca 0.02 -0.30 -0.20 0.00 -0.81 0.00 0.00 59.98 58.69 2r94 h ARG 187 Cb 0.68 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2r94 h ARG 187 CO 0.05 0.90 -1.88 0.66 -1.51 0.00 0.00 179.97 178.19 2r94 n TYR 188 N -4.34 0.44 -3.20 2.20 4.01 -0.05 -4.46 117.16 111.75 2r94 n TYR 188 Ca -0.02 0.15 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 2r94 n TYR 188 Cb 0.37 -0.93 -0.06 0.00 -0.31 0.00 0.00 39.34 38.41 2r94 n TYR 188 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2r94 n LEU 189 N -2.71 2.81 0.14 7.72 4.77 0.23 -4.90 117.00 125.06 2r94 n LEU 189 Ca -0.16 -5.30 0.11 0.00 -0.03 0.00 0.00 56.01 50.63 2r94 n LEU 189 Cb 0.89 -0.16 0.51 0.00 -2.33 0.00 0.00 43.42 42.33 2r94 n LEU 189 CO 0.44 2.18 0.82 -0.81 -1.33 0.00 0.00 177.39 178.69 2r94 n PRO 190 N 0.56 0.15 0.17 3.23 -0.04 -1.12 -0.46 135.00 137.50 2r94 n PRO 190 Ca 0.28 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.36 2r94 n PRO 190 Cb 0.47 -1.88 0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2r94 n PRO 190 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2r94 h GLN 191 N 0.00 0.00 -7.18 0.54 -0.00 -1.91 -3.47 115.11 103.09 2r94 h GLN 191 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.17 2r94 h GLN 191 Cb 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 27.48 27.70 2r94 h GLN 191 CO 0.00 0.07 0.38 0.00 -0.00 0.00 0.00 178.83 179.28 2r94 s ALA 192 N -3.21 2.84 -0.10 0.06 0.00 0.39 -5.00 121.76 116.74 2r94 s ALA 192 Ca 0.04 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 2r94 s ALA 192 Cb 0.07 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2r94 s ALA 192 CO 0.72 -0.60 0.64 1.03 0.00 0.00 0.00 175.76 177.55 2r94 s ARG 193 N -3.95 4.38 -0.12 0.00 0.52 -1.05 -4.92 118.95 113.82 2r94 s ARG 193 Ca 0.63 0.75 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 2r94 s ARG 193 Cb -0.15 -3.47 0.01 0.00 0.52 0.00 0.00 34.95 31.87 2r94 s ARG 193 CO 0.33 0.03 -0.20 0.08 0.02 0.00 0.00 175.30 175.57 2r94 s VAL 194 N 0.95 1.85 0.08 3.52 1.01 -1.26 -0.19 120.40 126.35 2r94 s VAL 194 Ca 0.34 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2r94 s VAL 194 Cb -0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2r94 s VAL 194 CO 0.15 0.51 -0.24 -0.31 0.00 0.00 0.00 175.10 175.21 2r94 s TYR 195 N 0.78 2.08 -0.09 5.22 2.02 0.89 -1.26 117.35 126.99 2r94 s TYR 195 Ca -0.09 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.12 2r94 s TYR 195 Cb -0.16 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2r94 s TYR 195 CO 0.00 0.19 0.22 1.21 -1.57 0.00 0.00 175.55 175.60 2r94 s ASN 196 N -1.56 6.50 -0.13 2.29 3.84 -1.11 -0.92 114.94 123.83 2r94 s ASN 196 Ca 0.10 0.59 0.16 0.00 0.21 0.00 0.00 52.86 53.92 2r94 s ASN 196 Cb -0.10 -2.12 0.58 0.00 -0.55 0.00 0.00 41.25 39.06 2r94 s ASN 196 CO 0.03 0.36 1.50 0.61 -2.79 0.00 0.00 177.10 176.82 2r94 n GLY 197 N 2.06 3.28 3.74 1.21 0.00 0.11 -1.39 105.19 114.21 2r94 n GLY 197 Ca -0.18 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2r94 n GLY 197 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r94 s SER 198 N -1.30 6.57 0.55 1.61 0.15 -1.26 -4.73 113.70 115.29 2r94 s SER 198 Ca 0.43 0.68 0.22 0.00 0.70 0.00 0.00 55.95 57.97 2r94 s SER 198 Cb 0.31 -2.23 1.47 0.00 -1.71 0.00 0.00 66.02 63.85 2r94 s SER 198 CO 0.16 0.09 2.16 0.44 1.20 0.00 0.00 173.24 177.29 2r94 h ASP 199 N 6.44 0.00 0.71 5.45 3.32 -1.92 -2.38 116.42 128.04 2r94 h ASP 199 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2r94 h ASP 199 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2r94 h ASP 199 CO 0.74 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.72 2r94 n SER 200 N -4.27 0.00 -0.68 6.45 3.41 -1.26 -3.22 113.62 114.04 2r94 n SER 200 Ca -0.01 0.16 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 2r94 n SER 200 Cb 0.16 -0.38 0.20 0.00 -0.26 0.00 0.00 64.21 63.93 2r94 n SER 200 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r94 n LEU 201 N -1.38 3.34 0.34 1.04 4.77 -0.89 -4.72 117.00 119.49 2r94 n LEU 201 Ca 0.10 -2.67 -0.16 0.00 -0.03 0.00 0.00 56.01 53.25 2r94 n LEU 201 Cb 0.27 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2r94 n LEU 201 CO 0.23 0.68 0.56 0.58 -1.33 0.00 0.00 177.39 178.11 2r94 h VAL 202 N 1.58 0.31 -0.48 4.08 2.07 -1.63 0.43 116.25 122.60 2r94 h VAL 202 Ca 0.00 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2r94 h VAL 202 Cb 1.14 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 2r94 h VAL 202 CO 0.12 0.02 -0.32 0.15 0.02 0.00 0.00 177.57 177.56 2r94 h PHE 203 N -0.99 -0.89 -0.80 1.57 3.57 -1.87 -1.31 116.94 116.22 2r94 h PHE 203 Ca -0.09 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2r94 h PHE 203 Cb 0.69 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 2r94 h PHE 203 CO -0.01 -0.38 0.45 0.00 -2.23 0.00 0.00 178.31 176.14 2r94 h ALA 204 N 0.88 1.03 -0.57 2.41 0.00 -1.79 0.21 119.26 121.43 2r94 h ALA 204 Ca 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2r94 h ALA 204 Cb 0.54 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2r94 h ALA 204 CO -0.60 0.53 0.36 0.77 0.00 0.00 0.00 179.25 180.32 2r94 h SER 205 N 1.11 0.61 -0.35 0.00 0.02 0.92 0.30 113.55 116.16 2r94 h SER 205 Ca 0.28 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2r94 h SER 205 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2r94 h SER 205 CO -0.05 0.44 0.07 -0.26 -1.14 0.00 0.00 176.83 175.89 2r94 h PHE 206 N 0.73 0.60 -0.84 3.45 0.04 -0.76 -1.82 116.94 118.34 2r94 h PHE 206 Ca 0.22 -0.08 0.13 0.00 2.80 0.00 0.00 57.97 61.04 2r94 h PHE 206 Cb -0.04 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 37.85 2r94 h PHE 206 CO -0.04 0.61 0.44 0.00 -0.60 0.00 0.00 178.31 178.72 2r94 h ALA 207 N 0.91 1.24 -0.15 2.45 0.00 0.58 -1.35 119.26 122.95 2r94 h ALA 207 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2r94 h ALA 207 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2r94 h ALA 207 CO 0.00 -0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.55 2r94 n VAL 208 N -4.83 0.18 -3.31 0.00 0.24 0.94 -4.95 118.33 106.59 2r94 n VAL 208 Ca 0.16 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 61.93 2r94 n VAL 208 Cb 0.39 0.52 0.08 0.00 -1.47 0.00 0.00 33.84 33.35 2r94 n VAL 208 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2r94 n ARG 209 N 0.45 -6.09 -1.04 7.34 5.12 -0.51 -5.02 116.66 116.91 2r94 n ARG 209 Ca 0.17 0.77 -0.29 0.00 -1.93 0.00 0.00 57.85 56.57 2r94 n ARG 209 Cb 0.38 -5.56 0.19 0.00 -1.16 0.00 0.00 32.46 26.30 2r94 n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2r94 s LEU 210 N -6.00 1.53 0.40 0.55 1.43 -0.75 -4.94 118.68 110.90 2r94 s LEU 210 Ca 0.03 1.30 0.29 0.00 -1.03 0.00 0.00 54.13 54.71 2r94 s LEU 210 Cb -0.01 -3.45 1.21 0.00 0.03 0.00 0.00 46.19 43.97 2r94 s LEU 210 CO 0.66 -3.30 1.85 0.44 0.23 0.00 0.00 176.35 176.23 2r94 h ASP 211 N -2.01 0.00 0.00 2.29 3.32 -1.52 -3.46 116.42 115.04 2r94 h ASP 211 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2r94 h ASP 211 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2r94 h ASP 211 CO 0.56 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 2r94 n GLY 212 N -0.09 -1.12 3.26 2.75 0.00 -1.22 -1.29 105.19 107.48 2r94 n GLY 212 Ca 0.01 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2r94 n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2r94 s VAL 213 N -3.00 1.60 -0.38 1.61 -7.23 -0.52 -2.75 120.40 109.73 2r94 s VAL 213 Ca 0.00 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 2r94 s VAL 213 Cb 0.00 -1.45 0.09 0.00 0.56 0.00 0.00 36.38 35.59 2r94 s VAL 213 CO 0.00 -0.02 0.16 0.54 -0.31 0.00 0.00 175.10 175.47 2r94 s VAL 214 N -1.08 3.22 -0.11 1.32 0.11 -0.48 -0.49 120.40 122.89 2r94 s VAL 214 Ca 0.05 -1.90 0.03 0.00 -2.93 0.00 0.00 61.98 57.24 2r94 s VAL 214 Cb -0.10 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2r94 s VAL 214 CO 0.03 -0.55 -0.22 0.00 -3.33 0.00 0.00 175.10 171.02 2r94 s ALA 215 N 1.17 2.12 0.41 1.54 0.00 -1.01 -4.19 121.76 121.80 2r94 s ALA 215 Ca 0.05 -0.96 0.19 0.00 0.00 0.00 0.00 51.96 51.25 2r94 s ALA 215 Cb -0.22 -0.84 1.12 0.00 0.00 0.00 0.00 23.12 23.18 2r94 s ALA 215 CO -0.03 0.19 1.80 0.66 0.00 0.00 0.00 175.76 178.38 2r94 h SER 216 N 6.89 0.41 0.29 0.00 4.64 -1.87 -0.35 113.55 123.56 2r94 h SER 216 Ca -0.23 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2r94 h SER 216 Cb 1.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2r94 h SER 216 CO 0.49 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 2r94 n SER 217 N -4.56 0.00 0.29 4.97 3.41 -1.26 -1.32 113.62 115.14 2r94 n SER 217 Ca 0.23 0.08 0.16 0.00 -0.26 0.00 0.00 58.87 59.08 2r94 n SER 217 Cb 0.83 -0.29 0.84 0.00 -0.26 0.00 0.00 64.21 65.34 2r94 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r94 h ALA 218 N 2.71 1.14 -0.62 7.33 0.00 -1.34 0.15 119.26 128.63 2r94 h ALA 218 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2r94 h ALA 218 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2r94 h ALA 218 CO 0.00 0.07 0.08 -0.91 0.00 0.00 0.00 179.25 178.49 2r94 h ASN 219 N 0.00 1.00 0.00 0.00 2.35 -1.40 -3.31 115.58 114.22 2r94 h ASN 219 Ca -0.00 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 2r94 h ASN 219 Cb 0.30 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2r94 h ASN 219 CO 0.01 1.02 -1.17 0.00 -1.65 0.00 0.00 177.43 175.64 2r94 n TYR 220 N -4.25 0.00 -2.71 1.19 0.18 -0.91 -4.73 117.16 105.93 2r94 n TYR 220 Ca 0.03 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.70 2r94 n TYR 220 Cb 0.30 -0.09 0.02 0.00 -0.38 0.00 0.00 39.34 39.19 2r94 n TYR 220 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2r94 n LEU 221 N -1.68 1.60 0.22 -3.48 4.77 0.48 -4.38 117.00 114.52 2r94 n LEU 221 Ca -0.01 -3.97 0.15 0.00 -0.03 0.00 0.00 56.01 52.15 2r94 n LEU 221 Cb 0.15 0.40 0.79 0.00 -2.33 0.00 0.00 43.42 42.42 2r94 n LEU 221 CO 0.08 1.69 1.13 1.55 -1.33 0.00 0.00 177.39 180.50 2r94 h PRO 222 N 2.97 0.00 0.00 3.23 0.13 -1.64 -2.06 132.00 134.63 2r94 h PRO 222 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 2r94 h PRO 222 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2r94 h PRO 222 CO 0.52 0.00 -0.53 1.05 -0.23 0.00 0.00 178.00 178.81 2r94 h GLU 223 N 0.00 0.00 -0.69 0.86 9.09 -1.91 -1.72 114.58 120.21 2r94 h GLU 223 Ca 0.06 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.40 2r94 h GLU 223 Cb 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.37 2r94 h GLU 223 CO -0.00 0.39 0.16 1.25 0.05 0.00 0.00 179.01 180.86 2r94 h LEU 224 N 0.00 1.06 -0.37 3.06 5.85 -1.72 0.14 115.31 123.32 2r94 h LEU 224 Ca -0.02 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 2r94 h LEU 224 Cb 1.33 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2r94 h LEU 224 CO 0.05 1.02 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.63 2r94 h LEU 225 N 1.04 0.95 -0.86 2.25 3.38 -1.26 -0.79 115.31 120.02 2r94 h LEU 225 Ca 0.22 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2r94 h LEU 225 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2r94 h LEU 225 CO 0.00 1.26 0.22 0.00 0.09 0.00 0.00 178.44 180.02 2r94 h ALA 226 N 0.77 1.08 -0.14 1.53 0.00 -1.27 0.38 119.26 121.61 2r94 h ALA 226 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2r94 h ALA 226 Cb 1.07 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2r94 h ALA 226 CO 0.11 0.63 -0.17 0.78 0.00 0.00 0.00 179.25 180.60 2r94 h GLY 227 N 1.08 -0.10 0.71 0.00 0.00 -0.24 -0.09 103.07 104.43 2r94 h GLY 227 Ca 0.23 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.80 2r94 h GLY 227 CO -0.01 -0.16 0.22 -2.22 0.00 0.00 0.00 176.54 174.37 2r94 h ILE 228 N -0.20 0.93 -0.56 2.60 2.04 -0.68 0.34 117.51 121.98 2r94 h ILE 228 Ca 0.10 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2r94 h ILE 228 Cb 0.35 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2r94 h ILE 228 CO -0.26 0.08 0.36 -0.09 0.00 0.00 0.00 178.15 178.24 2r94 h ARG 229 N 0.44 0.75 -0.13 2.37 2.43 -0.69 0.12 114.38 119.66 2r94 h ARG 229 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2r94 h ARG 229 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2r94 h ARG 229 CO -0.16 0.51 0.08 -0.44 -1.51 0.00 0.00 179.97 178.45 2r94 h ASP 230 N 0.76 0.16 -0.44 -3.80 3.32 -0.04 -0.66 116.42 115.72 2r94 h ASP 230 Ca 0.20 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2r94 h ASP 230 Cb -0.06 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2r94 h ASP 230 CO -0.04 0.14 0.11 0.00 -1.72 0.00 0.00 179.24 177.72 2r94 h ALA 231 N 1.03 1.24 -0.32 3.45 0.00 0.06 0.11 119.26 124.82 2r94 h ALA 231 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2r94 h ALA 231 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2r94 h ALA 231 CO -0.01 0.52 -0.01 0.28 0.00 0.00 0.00 179.25 180.04 2r94 h VAL 232 N 0.75 1.26 -0.74 0.00 2.07 -0.42 -0.68 116.25 118.50 2r94 h VAL 232 Ca 0.16 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 2r94 h VAL 232 Cb 0.30 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2r94 h VAL 232 CO 0.00 0.32 0.26 0.00 0.02 0.00 0.00 177.57 178.17 2r94 h ALA 233 N 0.84 1.06 0.20 1.67 0.00 -0.63 -2.93 119.26 119.46 2r94 h ALA 233 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2r94 h ALA 233 Cb 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2r94 h ALA 233 CO 0.02 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.76 2r94 h ALA 234 N 1.19 -0.94 0.00 0.00 0.00 -0.64 -3.47 119.26 115.40 2r94 h ALA 234 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2r94 h ALA 234 Cb 0.26 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2r94 h ALA 234 CO -0.01 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.71 2r94 n GLY 235 N -1.18 -0.80 2.33 0.00 0.00 -0.64 -5.02 105.19 99.88 2r94 n GLY 235 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2r94 n GLY 235 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2r94 n ASP 236 N 0.00 7.64 -0.33 1.61 -0.08 -0.36 -4.60 116.55 120.42 2r94 n ASP 236 Ca 0.00 -2.82 0.16 0.00 -1.51 0.00 0.00 54.79 50.62 2r94 n ASP 236 Cb 0.00 -1.43 0.39 0.00 2.34 0.00 0.00 41.12 42.42 2r94 n ASP 236 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2r94 h ILE 237 N 2.57 0.64 -0.28 5.18 1.08 -1.88 1.01 117.51 125.84 2r94 h ILE 237 Ca 0.64 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.86 2r94 h ILE 237 Cb 0.56 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2r94 h ILE 237 CO 1.30 0.11 0.03 -0.33 -0.69 0.00 0.00 178.15 178.58 2r94 h GLU 238 N 0.62 0.41 -0.08 2.37 4.39 -1.94 0.13 114.58 120.48 2r94 h GLU 238 Ca 0.58 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 60.10 2r94 h GLU 238 Cb 1.10 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2r94 h GLU 238 CO -0.35 0.41 -0.38 -0.09 -1.16 0.00 0.00 179.01 177.43 2r94 h ARG 239 N 0.40 0.39 -0.41 2.33 2.43 0.59 -2.53 114.38 117.58 2r94 h ARG 239 Ca 0.09 -0.32 0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2r94 h ARG 239 Cb 0.22 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 2r94 h ARG 239 CO 0.00 0.96 -0.15 0.00 -1.51 0.00 0.00 179.97 179.27 2r94 h ALA 240 N 0.44 0.18 -0.66 2.80 0.00 -0.57 0.17 119.26 121.62 2r94 h ALA 240 Ca -0.03 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2r94 h ALA 240 Cb 1.04 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2r94 h ALA 240 CO 0.08 -0.51 0.18 -0.09 0.00 0.00 0.00 179.25 178.91 2r94 h ARG 241 N -0.07 1.04 -0.40 0.00 2.43 -0.79 0.96 114.38 117.55 2r94 h ARG 241 Ca 0.20 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2r94 h ARG 241 Cb 0.37 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2r94 h ARG 241 CO -0.46 0.92 -0.18 1.03 -1.51 0.00 0.00 179.97 179.77 2r94 h SER 242 N 0.97 0.77 -0.52 -3.80 0.87 -0.91 -0.12 113.55 110.81 2r94 h SER 242 Ca 0.21 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2r94 h SER 242 Cb 0.34 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2r94 h SER 242 CO -0.00 0.95 0.19 -0.07 -0.53 0.00 0.00 176.83 177.37 2r94 h LEU 243 N 0.68 0.73 -1.00 2.23 3.38 0.23 -1.86 115.31 119.70 2r94 h LEU 243 Ca 0.10 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2r94 h LEU 243 Cb 0.68 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2r94 h LEU 243 CO 0.05 0.71 0.65 -0.61 0.09 0.00 0.00 178.44 179.33 2r94 h GLN 244 N 0.70 1.17 -0.30 1.13 5.75 -0.40 0.02 115.11 123.18 2r94 h GLN 244 Ca 0.17 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.47 2r94 h GLN 244 Cb 0.22 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2r94 h GLN 244 CO -0.01 0.78 -0.33 0.74 -2.65 0.00 0.00 178.83 177.35 2r94 h PHE 245 N 1.21 0.78 -0.27 3.99 0.04 -0.74 0.16 116.94 122.12 2r94 h PHE 245 Ca 0.41 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 61.01 2r94 h PHE 245 Cb 0.09 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 2r94 h PHE 245 CO -0.00 0.91 0.08 1.25 -0.60 0.00 0.00 178.31 179.95 2r94 h LEU 246 N 0.56 0.08 -0.84 1.54 6.46 -0.50 -1.71 115.31 120.91 2r94 h LEU 246 Ca 0.06 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2r94 h LEU 246 Cb 0.84 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 2r94 h LEU 246 CO 0.07 0.08 0.53 0.25 -0.62 0.00 0.00 178.44 178.75 2r94 h LEU 247 N 0.20 0.98 -1.50 2.25 5.85 -0.57 -2.32 115.31 120.21 2r94 h LEU 247 Ca 0.12 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2r94 h LEU 247 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2r94 h LEU 247 CO -0.13 0.74 0.18 0.44 -0.34 0.00 0.00 178.44 179.32 2r94 h ASP 248 N 1.14 0.46 -0.15 1.25 3.32 -0.21 -1.69 116.42 120.54 2r94 h ASP 248 Ca 0.30 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 2r94 h ASP 248 Cb -0.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2r94 h ASP 248 CO -0.06 0.40 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.36 2r94 h GLU 249 N 0.52 0.55 -0.05 3.56 5.08 -0.76 -1.22 114.58 122.25 2r94 h GLU 249 Ca 0.13 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2r94 h GLU 249 Cb 0.06 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2r94 h GLU 249 CO -0.02 0.70 -0.54 0.82 -1.00 0.00 0.00 179.01 178.97 2r94 h ILE 250 N 0.50 1.39 -0.70 3.13 2.04 -1.15 -2.99 117.51 119.73 2r94 h ILE 250 Ca 0.08 -1.93 0.04 0.00 1.00 0.00 0.00 64.86 64.05 2r94 h ILE 250 Cb 0.58 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 2r94 h ILE 250 CO 0.04 0.57 0.43 0.58 0.00 0.00 0.00 178.15 179.77 2r94 h VAL 251 N 0.01 1.05 -0.79 1.67 2.07 -1.14 -2.36 116.25 116.75 2r94 h VAL 251 Ca -0.05 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.28 2r94 h VAL 251 Cb 1.22 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2r94 h VAL 251 CO 0.11 0.15 0.45 -0.33 0.02 0.00 0.00 177.57 177.97 2r94 h GLU 252 N 0.82 0.74 -0.43 1.57 5.08 -1.22 0.55 114.58 121.68 2r94 h GLU 252 Ca 0.29 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2r94 h GLU 252 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2r94 h GLU 252 CO -0.13 0.49 0.04 0.77 -1.00 0.00 0.00 179.01 179.17 2r94 h SER 253 N 0.76 0.72 -0.34 1.42 0.02 -1.30 -1.66 113.55 113.16 2r94 h SER 253 Ca 0.38 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2r94 h SER 253 Cb 0.34 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2r94 h SER 253 CO -0.24 0.82 0.03 0.00 -1.14 0.00 0.00 176.83 176.30 2r94 h ALA 254 N 0.92 1.25 -0.24 3.77 0.00 -0.84 -2.22 119.26 121.90 2r94 h ALA 254 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2r94 h ALA 254 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r94 h ALA 254 CO 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2r94 h ARG 255 N 0.65 0.36 -0.67 0.00 3.08 0.58 -2.71 114.38 115.67 2r94 h ARG 255 Ca 0.14 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2r94 h ARG 255 Cb 0.36 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2r94 h ARG 255 CO 0.01 0.41 0.44 1.25 -1.07 0.00 0.00 179.97 181.02 2r94 h HIS 256 N 0.35 0.74 -0.02 3.04 2.76 -0.66 -2.90 115.15 118.45 2r94 h HIS 256 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2r94 h HIS 256 Cb 0.28 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2r94 h HIS 256 CO 0.01 0.41 -0.02 0.44 -1.30 0.00 0.00 177.93 177.48 2r94 n ILE 257 N -4.47 0.00 0.00 6.26 -5.35 -1.06 -4.99 119.36 109.76 2r94 n ILE 257 Ca 0.09 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2r94 n ILE 257 Cb 0.17 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 2r94 n ILE 257 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r94 n GLY 258 N 0.78 1.47 0.32 3.28 0.00 -1.05 -4.93 105.19 105.05 2r94 n GLY 258 Ca 0.08 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.55 2r94 n GLY 258 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2r94 h TYR 259 N 0.00 0.85 -0.32 1.61 3.20 -1.66 -1.42 116.97 119.23 2r94 h TYR 259 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2r94 h TYR 259 Cb 0.00 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2r94 h TYR 259 CO 0.00 0.25 0.18 0.00 -1.64 0.00 0.00 178.16 176.95 2r94 h ALA 260 N 1.54 0.41 0.00 1.82 0.00 -1.95 -0.13 119.26 120.95 2r94 h ALA 260 Ca 0.46 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 2r94 h ALA 260 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2r94 h ALA 260 CO -0.33 -0.07 -0.39 0.00 0.00 0.00 0.00 179.25 178.46 2r94 h ALA 261 N 1.05 1.25 -0.00 0.00 0.00 -1.81 -3.31 119.26 116.44 2r94 h ALA 261 Ca 0.11 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2r94 h ALA 261 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r94 h ALA 261 CO -0.02 0.49 -0.91 0.00 0.00 0.00 0.00 179.25 178.81 2r94 h ALA 262 N 1.61 0.44 -0.90 0.00 0.00 -0.06 -2.68 119.26 117.67 2r94 h ALA 262 Ca -0.00 -0.71 0.25 0.00 0.00 0.00 0.00 54.91 54.44 2r94 h ALA 262 Cb 0.74 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 2r94 h ALA 262 CO 0.05 0.86 0.18 0.28 0.00 0.00 0.00 179.25 180.62 2r94 h VAL 263 N 0.18 0.22 -0.75 0.00 2.07 -1.17 0.18 116.25 116.98 2r94 h VAL 263 Ca -0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2r94 h VAL 263 Cb 1.54 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2r94 h VAL 263 CO 0.15 0.02 0.48 1.88 0.02 0.00 0.00 177.57 180.12 2r94 h TYR 264 N 0.13 0.96 0.07 1.57 0.05 -1.67 -1.82 116.97 116.26 2r94 h TYR 264 Ca 0.57 0.01 -0.26 0.00 0.05 0.00 0.00 58.73 59.10 2r94 h TYR 264 Cb 1.18 -0.32 0.02 0.00 1.01 0.00 0.00 36.73 38.62 2r94 h TYR 264 CO -0.32 0.62 -1.07 1.49 -1.05 0.00 0.00 178.16 177.83 2r94 h GLU 265 N 1.02 0.60 -0.73 4.88 4.57 -0.92 -3.07 114.58 120.93 2r94 h GLU 265 Ca 0.27 -0.74 0.16 0.00 -1.18 0.00 0.00 59.36 57.87 2r94 h GLU 265 Cb -0.08 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2r94 h GLU 265 CO -0.06 1.32 0.50 -0.07 -1.18 0.00 0.00 179.01 179.52 2r94 h LEU 266 N 0.22 0.29 -0.04 1.64 3.38 -0.39 0.13 115.31 120.54 2r94 h LEU 266 Ca -0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2r94 h LEU 266 Cb 1.75 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2r94 h LEU 266 CO 0.21 0.15 -0.01 0.58 0.09 0.00 0.00 178.44 179.45 2r94 h VAL 267 N 0.31 1.31 -0.14 1.22 2.07 -1.28 -0.65 116.25 119.08 2r94 h VAL 267 Ca 0.36 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2r94 h VAL 267 Cb 0.96 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 2r94 h VAL 267 CO -0.09 0.25 -0.09 -0.33 0.02 0.00 0.00 177.57 177.33 2r94 h GLU 268 N -0.29 -0.09 -0.19 1.57 5.08 -1.30 0.58 114.58 119.94 2r94 h GLU 268 Ca 0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2r94 h GLU 268 Cb 0.42 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2r94 h GLU 268 CO 0.00 -0.06 -0.11 0.82 -1.00 0.00 0.00 179.01 178.66 2r94 h ILE 269 N -0.09 0.66 0.00 3.13 2.04 -0.63 -1.27 117.51 121.35 2r94 h ILE 269 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2r94 h ILE 269 Cb 0.22 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2r94 h ILE 269 CO -0.20 0.00 -1.56 0.49 0.00 0.00 0.00 178.15 176.88 2r94 n PHE 270 N -5.27 0.50 0.02 1.37 3.72 -0.26 -4.37 117.46 113.17 2r94 n PHE 270 Ca -0.02 0.15 0.05 0.00 -0.05 0.00 0.00 57.45 57.58 2r94 n PHE 270 Cb 0.19 -0.78 -0.08 0.00 -0.94 0.00 0.00 39.48 37.87 2r94 n PHE 270 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2r94 n GLN 271 N -2.52 0.45 -0.56 -1.08 1.13 0.20 -5.00 117.38 110.00 2r94 n GLN 271 Ca -0.05 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 2r94 n GLN 271 Cb 0.62 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.74 2r94 n GLN 271 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2r94 n GLY 272 N 1.88 0.76 3.64 1.08 0.00 -0.48 -4.99 105.19 107.09 2r94 n GLY 272 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2r94 n GLY 272 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r94 s TYR 273 N -2.84 2.25 0.23 1.61 -0.85 -1.26 -5.03 117.35 111.46 2r94 s TYR 273 Ca 0.00 -0.80 -0.30 0.00 -0.52 0.00 0.00 57.07 55.45 2r94 s TYR 273 Cb 0.00 -1.66 -0.09 0.00 0.38 0.00 0.00 41.96 40.60 2r94 s TYR 273 CO 0.00 0.31 1.10 -2.00 -1.52 0.00 0.00 175.55 173.44 2r94 s GLU 274 N -3.77 4.62 0.00 -3.49 2.12 -1.26 -3.92 118.70 112.99 2r94 s GLU 274 Ca 0.27 1.76 0.08 0.00 0.36 0.00 0.00 54.97 57.43 2r94 s GLU 274 Cb 0.07 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.25 2r94 s GLU 274 CO 0.14 0.14 0.61 0.00 -0.54 0.00 0.00 175.26 175.61 2r94 n ALA 275 N 1.83 2.61 -0.04 6.30 0.00 -1.26 -5.00 120.51 124.95 2r94 n ALA 275 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2r94 n ALA 275 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2r94 n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r94 n GLY 276 N 0.65 -1.20 3.30 0.00 0.00 -1.26 -4.66 105.19 102.02 2r94 n GLY 276 Ca 0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2r94 n GLY 276 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r94 s GLU 277 N 0.00 1.04 0.60 1.61 -1.05 0.34 -4.85 118.70 116.39 2r94 s GLU 277 Ca 0.00 -0.76 -0.10 0.00 -0.15 0.00 0.00 54.97 53.96 2r94 s GLU 277 Cb 0.00 0.45 0.14 0.00 -0.44 0.00 0.00 34.13 34.28 2r94 s GLU 277 CO 0.00 -0.39 0.75 -0.35 0.95 0.00 0.00 175.26 176.22 2r94 n PRO 278 N -0.20 -1.06 -4.65 -4.83 -0.04 -1.26 -1.25 135.00 121.71 2r94 n PRO 278 Ca -0.16 -1.17 -0.23 0.00 -0.04 0.00 0.00 63.50 61.91 2r94 n PRO 278 Cb 0.63 -0.83 -0.15 0.00 -0.04 0.00 0.00 33.50 33.11 2r94 n PRO 278 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2r94 s ARG 279 N -4.66 1.25 0.19 0.54 3.52 -1.19 -4.57 118.95 114.04 2r94 s ARG 279 Ca 0.44 -0.50 -0.32 0.00 -0.13 0.00 0.00 55.73 55.22 2r94 s ARG 279 Cb -0.02 -1.17 -0.11 0.00 -1.56 0.00 0.00 34.95 32.09 2r94 s ARG 279 CO 0.31 0.26 1.70 0.20 -0.81 0.00 0.00 175.30 176.96 2r94 s GLY 280 N -0.17 1.28 0.00 8.12 0.00 -1.26 -1.78 107.32 113.52 2r94 s GLY 280 Ca 0.02 1.54 0.23 0.00 0.00 0.00 0.00 44.72 46.51 2r94 s GLY 280 CO 0.00 2.85 1.10 -1.55 0.00 0.00 0.00 173.10 175.50 2r94 n PRO 281 N 4.11 0.53 -2.38 2.90 -0.04 -1.26 -4.90 135.00 133.96 2r94 n PRO 281 Ca 0.16 -0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 62.77 2r94 n PRO 281 Cb 0.36 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2r94 n PRO 281 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2r94 n VAL 282 N -0.87 4.15 -2.24 0.52 0.31 -0.73 -4.98 118.33 114.49 2r94 n VAL 282 Ca 0.07 -4.22 -0.37 0.00 -0.01 0.00 0.00 64.34 59.81 2r94 n VAL 282 Cb 0.38 -2.42 -0.01 0.00 -0.91 0.00 0.00 33.84 30.88 2r94 n VAL 282 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2r94 s TYR 283 N 1.36 2.86 0.73 3.52 2.02 -1.26 -3.18 117.35 123.41 2r94 s TYR 283 Ca 0.42 1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 58.50 2r94 s TYR 283 Cb 0.07 -3.39 0.04 0.00 -0.40 0.00 0.00 41.96 38.28 2r94 s TYR 283 CO -0.01 -1.55 1.25 -2.14 -1.57 0.00 0.00 175.55 171.54 2r94 s PRO 284 N -2.70 2.07 0.59 -1.71 0.02 -1.26 -4.74 135.00 127.27 2r94 s PRO 284 Ca 0.64 1.92 -0.19 0.00 0.02 0.00 0.00 61.00 63.39 2r94 s PRO 284 Cb -0.29 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2r94 s PRO 284 CO 0.35 -1.93 1.14 1.28 -0.33 0.00 0.00 177.00 177.51 2r94 n LEU 285 N -2.62 4.64 -4.94 -5.54 4.77 -1.26 -5.02 117.00 107.04 2r94 n LEU 285 Ca 0.15 0.86 -0.25 0.00 -0.03 0.00 0.00 56.01 56.74 2r94 n LEU 285 Cb 0.49 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2r94 n LEU 285 CO 0.48 -1.35 0.38 1.51 -1.33 0.00 0.00 177.39 177.08 2r94 s ASP 286 N -1.19 5.82 0.30 -1.43 1.47 -1.26 -4.91 116.67 115.48 2r94 s ASP 286 Ca 0.76 0.51 0.05 0.00 1.18 0.00 0.00 52.55 55.05 2r94 s ASP 286 Cb -0.41 -1.69 0.74 0.00 -0.34 0.00 0.00 42.92 41.21 2r94 s ASP 286 CO 0.46 -0.79 1.75 -0.65 0.68 0.00 0.00 175.17 176.62 2r94 h PRO 287 N 0.21 0.62 -0.53 2.11 0.11 -2.00 0.42 132.00 132.94 2r94 h PRO 287 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2r94 h PRO 287 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2r94 h PRO 287 CO 0.59 0.41 0.30 0.93 -0.21 0.00 0.00 178.00 180.02 2r94 h GLU 288 N 0.64 0.72 -0.03 1.05 3.07 -1.99 -1.41 114.58 116.63 2r94 h GLU 288 Ca 0.57 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 59.19 2r94 h GLU 288 Cb 0.96 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2r94 h GLU 288 CO -0.43 0.53 -0.68 0.93 -1.40 0.00 0.00 179.01 177.96 2r94 h GLU 289 N 0.73 0.51 -0.45 2.33 5.08 -1.32 -2.03 114.58 119.44 2r94 h GLU 289 Ca 0.19 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2r94 h GLU 289 Cb 0.01 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2r94 h GLU 289 CO -0.03 1.15 0.26 0.87 -1.00 0.00 0.00 179.01 180.25 2r94 h LYS 290 N 0.07 0.61 -0.70 2.33 1.57 -1.24 0.17 116.57 119.38 2r94 h LYS 290 Ca -0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2r94 h LYS 290 Cb 1.36 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2r94 h LYS 290 CO 0.14 0.47 0.37 0.00 -0.57 0.00 0.00 179.45 179.86 2r94 h ALA 291 N 1.11 0.89 -0.13 3.86 0.00 -1.26 0.49 119.26 124.22 2r94 h ALA 291 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2r94 h ALA 291 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2r94 h ALA 291 CO -0.03 0.42 0.02 2.35 0.00 0.00 0.00 179.25 182.01 2r94 h TRP 292 N 0.96 0.22 0.36 0.00 7.01 -1.01 -0.97 115.95 122.52 2r94 h TRP 292 Ca 0.24 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2r94 h TRP 292 Cb 0.05 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2r94 h TRP 292 CO -0.00 0.40 -0.27 1.25 -2.79 0.00 0.00 178.44 177.03 2r94 h LEU 293 N -0.02 -0.71 -0.70 0.65 5.85 -0.29 0.62 115.31 120.72 2r94 h LEU 293 Ca 0.04 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.95 2r94 h LEU 293 Cb 0.30 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.42 2r94 h LEU 293 CO 0.00 -0.41 -0.19 0.03 -0.34 0.00 0.00 178.44 177.54 2r94 h ARG 294 N -0.63 -0.01 -0.62 1.25 3.08 0.08 0.21 114.38 117.73 2r94 h ARG 294 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2r94 h ARG 294 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2r94 h ARG 294 CO -0.01 -0.01 0.06 0.00 -1.07 0.00 0.00 179.97 178.95 2r94 h ALA 295 N 1.66 0.83 -0.39 0.04 0.00 -0.80 -0.72 119.26 119.88 2r94 h ALA 295 Ca 0.33 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2r94 h ALA 295 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2r94 h ALA 295 CO -0.72 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.09 2r94 h ALA 296 N 1.01 1.16 0.00 0.00 0.00 0.21 -2.96 119.26 118.69 2r94 h ALA 296 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2r94 h ALA 296 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2r94 h ALA 296 CO 0.02 0.54 -0.56 -0.39 0.00 0.00 0.00 179.25 178.85 2r94 h VAL 297 N 0.61 0.00 -1.00 0.00 -1.51 -0.54 -3.33 116.25 110.48 2r94 h VAL 297 Ca 0.12 -0.97 0.12 0.00 -1.23 0.00 0.00 66.70 64.74 2r94 h VAL 297 Cb 0.48 1.69 -0.09 0.00 -2.13 0.00 0.00 31.29 31.24 2r94 h VAL 297 CO 0.02 0.00 0.63 0.00 -1.23 0.00 0.00 177.57 177.00 2r94 h ALA 298 N 2.03 1.53 -0.86 5.19 0.00 -0.95 0.45 119.26 126.65 2r94 h ALA 298 Ca 0.00 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2r94 h ALA 298 Cb 0.99 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.42 2r94 h ALA 298 CO 0.00 0.21 -0.08 -0.22 0.00 0.00 0.00 179.25 179.16 2r94 h LYS 299 N 0.98 0.04 0.00 0.00 3.64 -1.67 -3.04 116.57 116.52 2r94 h LYS 299 Ca 0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2r94 h LYS 299 Cb 0.51 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2r94 h LYS 299 CO -0.27 0.02 -1.84 0.00 -2.27 0.00 0.00 179.45 175.09 2r94 n ALA 300 N -3.20 3.03 0.23 5.00 0.00 -0.11 -4.24 120.51 121.22 2r94 n ALA 300 Ca 0.16 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 53.14 2r94 n ALA 300 Cb 0.53 -0.73 0.52 0.00 0.00 0.00 0.00 19.45 19.77 2r94 n ALA 300 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2r94 h LYS 301 N 0.00 0.00 -0.07 0.00 3.64 -0.08 -2.72 116.57 117.34 2r94 h LYS 301 Ca 0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2r94 h LYS 301 Cb 0.91 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2r94 h LYS 301 CO 0.00 0.16 -0.14 0.66 -2.27 0.00 0.00 179.45 177.86 2r94 h SER 302 N 0.00 0.24 0.00 4.20 4.64 -1.73 -3.23 113.55 117.67 2r94 h SER 302 Ca -0.00 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2r94 h SER 302 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2r94 h SER 302 CO 0.02 0.76 0.04 0.00 -0.87 0.00 0.00 176.83 176.78 2r94 n GLN 303 N -4.62 0.00 0.00 4.77 6.02 -1.03 -5.18 117.38 117.34 2r94 n GLN 303 Ca -0.08 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 2r94 n GLN 303 Cb 0.37 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2r94 n GLN 303 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33