#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2y s LYS 2 N 0.00 0.37 0.06 0.03 2.36 0.11 -4.95 119.74 117.72 1q2y s LYS 2 Ca 0.00 0.14 -0.18 0.00 -2.55 0.00 0.00 55.97 53.38 1q2y s LYS 2 Cb 0.00 -0.69 -0.06 0.00 -1.05 0.00 0.00 37.83 36.03 1q2y s LYS 2 CO 0.00 -0.23 0.52 0.00 1.55 0.00 0.00 175.35 177.19 1q2y s ALA 3 N 1.58 3.62 -0.03 3.13 0.00 -1.26 0.00 121.76 128.81 1q2y s ALA 3 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 1q2y s ALA 3 Cb -0.13 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1q2y s ALA 3 CO -0.03 0.43 0.12 0.08 0.00 0.00 0.00 175.76 176.35 1q2y s VAL 4 N -1.12 0.04 -0.35 0.00 1.01 0.99 -4.98 120.40 115.99 1q2y s VAL 4 Ca 0.28 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1q2y s VAL 4 Cb -0.18 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1q2y s VAL 4 CO 0.17 -0.16 1.06 -0.63 0.00 0.00 0.00 175.10 175.54 1q2y s ILE 5 N -0.51 4.48 -0.29 2.22 1.01 -1.26 -0.85 121.20 126.00 1q2y s ILE 5 Ca -0.06 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 61.90 1q2y s ILE 5 Cb -0.04 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1q2y s ILE 5 CO 0.00 -0.56 1.25 0.00 0.00 0.00 0.00 174.94 175.64 1q2y s ALA 6 N 3.73 3.43 0.00 9.38 0.00 -0.14 -4.84 121.76 133.31 1q2y s ALA 6 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1q2y s ALA 6 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1q2y s ALA 6 CO 0.18 -1.64 0.00 1.63 0.00 0.00 0.00 175.76 175.93 1q2y n LYS 7 N 7.14 2.83 -2.68 0.00 5.02 -1.26 -4.51 118.16 124.70 1q2y n LYS 7 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 1q2y n LYS 7 Cb 0.46 -0.87 0.11 0.00 -0.02 0.00 0.00 35.03 34.72 1q2y n LYS 7 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q2y s ASN 8 N -2.53 4.31 0.10 4.39 6.03 -1.26 -4.91 114.94 121.07 1q2y s ASN 8 Ca 0.00 -0.56 -0.28 0.00 -1.03 0.00 0.00 52.86 50.99 1q2y s ASN 8 Cb 0.00 0.26 -0.12 0.00 -3.03 0.00 0.00 41.25 38.36 1q2y s ASN 8 CO 0.00 -1.90 1.65 -0.08 -2.03 0.00 0.00 177.10 174.73 1q2y h GLU 9 N -0.49 -0.50 -0.51 3.55 4.81 -1.99 -2.25 114.58 117.18 1q2y h GLU 9 Ca -0.33 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1q2y h GLU 9 Cb 1.26 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1q2y h GLU 9 CO 0.37 -0.34 -0.06 0.93 -0.73 0.00 0.00 179.01 179.19 1q2y h GLU 10 N -0.52 0.91 -0.59 1.92 4.39 -1.99 -1.68 114.58 117.02 1q2y h GLU 10 Ca -0.00 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 1q2y h GLU 10 Cb 0.49 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1q2y h GLU 10 CO -0.06 0.94 -0.01 1.96 -1.16 0.00 0.00 179.01 180.68 1q2y h GLN 11 N 0.82 1.05 -0.05 2.33 4.20 -1.95 -1.40 115.11 120.11 1q2y h GLN 11 Ca 0.14 -0.34 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 1q2y h GLN 11 Cb 0.57 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1q2y h GLN 11 CO 0.03 1.03 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.45 1q2y h LEU 12 N 0.94 0.30 -0.72 1.46 3.38 -1.35 -1.93 115.31 117.40 1q2y h LEU 12 Ca 0.17 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1q2y h LEU 12 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1q2y h LEU 12 CO 0.03 0.92 0.29 0.11 0.09 0.00 0.00 178.44 179.88 1q2y h LYS 13 N 0.17 1.07 -0.40 1.13 1.57 -1.13 -1.92 116.57 117.06 1q2y h LYS 13 Ca -0.02 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1q2y h LYS 13 Cb 1.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1q2y h LYS 13 CO 0.11 0.89 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.36 1q2y h ASP 14 N 1.03 0.66 -0.42 0.86 3.32 -1.04 -1.43 116.42 119.41 1q2y h ASP 14 Ca 0.24 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1q2y h ASP 14 Cb 0.21 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1q2y h ASP 14 CO -0.02 0.78 0.14 0.00 -1.72 0.00 0.00 179.24 178.43 1q2y h ALA 15 N 1.29 0.54 0.00 3.45 0.00 -0.78 -1.89 119.26 121.87 1q2y h ALA 15 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1q2y h ALA 15 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1q2y h ALA 15 CO 0.03 0.18 -0.07 0.74 0.00 0.00 0.00 179.25 180.13 1q2y h PHE 16 N 0.53 0.00 -0.32 0.00 -1.00 -1.26 -2.16 116.94 112.73 1q2y h PHE 16 Ca 0.14 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.76 1q2y h PHE 16 Cb 0.24 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 1q2y h PHE 16 CO 0.01 0.07 -0.40 -0.92 -1.61 0.00 0.00 178.31 175.45 1q2y h TYR 17 N 0.00 1.01 -0.45 -0.55 3.20 -0.96 -0.90 116.97 118.32 1q2y h TYR 17 Ca -0.00 -0.33 -0.11 0.00 3.14 0.00 0.00 58.73 61.43 1q2y h TYR 17 Cb 0.90 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1q2y h TYR 17 CO 0.00 1.13 -0.16 0.28 -1.64 0.00 0.00 178.16 177.77 1q2y h VAL 18 N 0.61 1.27 -0.11 1.81 2.07 -1.18 -1.64 116.25 119.08 1q2y h VAL 18 Ca 0.04 -1.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.16 1q2y h VAL 18 Cb 1.00 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1q2y h VAL 18 CO 0.10 0.43 -0.53 -0.09 0.02 0.00 0.00 177.57 177.50 1q2y h ARG 19 N 0.76 0.30 -0.61 1.57 2.43 -1.28 -2.84 114.38 114.71 1q2y h ARG 19 Ca 0.12 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1q2y h ARG 19 Cb 0.68 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1q2y h ARG 19 CO 0.05 0.76 0.02 1.49 -1.51 0.00 0.00 179.97 180.78 1q2y h GLU 20 N 0.23 1.06 -0.20 0.20 4.81 -0.91 -2.06 114.58 117.71 1q2y h GLU 20 Ca 0.01 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1q2y h GLU 20 Cb 1.01 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 1q2y h GLU 20 CO 0.09 1.02 -0.16 1.49 -0.73 0.00 0.00 179.01 180.72 1q2y h GLU 21 N 0.97 -0.16 0.11 1.92 4.57 -1.07 0.69 114.58 121.62 1q2y h GLU 21 Ca 0.18 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1q2y h GLU 21 Cb 0.53 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1q2y h GLU 21 CO 0.03 -0.11 -0.05 0.28 -1.18 0.00 0.00 179.01 177.98 1q2y h VAL 22 N -0.16 1.05 -0.15 0.32 2.07 -1.45 0.28 116.25 118.20 1q2y h VAL 22 Ca 0.12 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1q2y h VAL 22 Cb 0.34 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1q2y h VAL 22 CO -0.30 0.27 -0.30 -0.26 0.02 0.00 0.00 177.57 177.00 1q2y h PHE 23 N -0.79 0.59 0.00 1.57 -1.00 -1.41 -2.37 116.94 113.53 1q2y h PHE 23 Ca -0.02 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.55 1q2y h PHE 23 Cb 0.56 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1q2y h PHE 23 CO 0.10 0.93 -0.50 0.28 -1.61 0.00 0.00 178.31 177.52 1q2y n VAL 24 N -4.38 1.37 -0.14 -0.55 0.31 0.17 -2.25 118.33 112.86 1q2y n VAL 24 Ca -0.07 0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.39 1q2y n VAL 24 Cb 0.48 -2.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 1q2y n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1q2y h LYS 25 N -0.97 0.69 0.10 5.55 1.57 -1.23 -3.33 116.57 118.96 1q2y h LYS 25 Ca 0.00 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.40 1q2y h LYS 25 Cb 0.50 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1q2y h LYS 25 CO 0.00 0.74 -0.92 0.93 -0.57 0.00 0.00 179.45 179.62 1q2y h GLU 26 N 0.54 0.22 0.00 3.15 5.08 -1.00 -3.46 114.58 119.12 1q2y h GLU 26 Ca 0.12 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1q2y h GLU 26 Cb 0.39 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1q2y h GLU 26 CO 0.01 1.18 0.00 1.04 -1.00 0.00 0.00 179.01 180.24 1q2y n GLN 27 N -4.15 1.05 -0.46 2.33 3.00 -0.89 -5.02 117.38 113.24 1q2y n GLN 27 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1q2y n GLN 27 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.03 1q2y n GLN 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1q2y n ASN 28 N 0.00 0.00 -4.73 1.08 3.02 -1.20 -4.87 115.26 108.57 1q2y n ASN 28 Ca 0.00 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.83 1q2y n ASN 28 Cb 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 1q2y n ASN 28 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q2y s VAL 29 N 0.00 2.15 0.36 2.41 1.01 -0.95 -4.90 120.40 120.47 1q2y s VAL 29 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1q2y s VAL 29 Cb 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1q2y s VAL 29 CO 0.00 0.01 1.12 -2.65 0.00 0.00 0.00 175.10 173.58 1q2y n PRO 30 N 3.63 1.64 0.00 2.72 -0.02 -1.26 -4.40 135.00 137.31 1q2y n PRO 30 Ca 0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1q2y n PRO 30 Cb 0.36 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1q2y n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q2y n ALA 31 N 0.01 0.00 -1.38 3.55 0.00 -1.26 -1.46 120.51 119.96 1q2y n ALA 31 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1q2y n ALA 31 Cb 0.36 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.00 1q2y n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1q2y n GLU 32 N -0.06 2.02 0.00 0.00 0.28 -1.26 -4.46 120.64 117.17 1q2y n GLU 32 Ca 0.00 -3.15 0.11 0.00 -0.16 0.00 0.00 57.16 53.97 1q2y n GLU 32 Cb 0.00 -1.97 0.54 0.00 1.43 0.00 0.00 31.44 31.44 1q2y n GLU 32 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1q2y n GLU 33 N -1.13 0.20 0.13 3.44 -0.58 -0.54 -2.87 120.64 119.28 1q2y n GLU 33 Ca 0.44 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 57.39 1q2y n GLU 33 Cb 1.27 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 31.09 1q2y n GLU 33 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1q2y h GLU 34 N 0.00 0.00 -5.61 3.49 4.11 -1.78 -3.45 114.58 111.34 1q2y h GLU 34 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.77 1q2y h GLU 34 Cb 0.29 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.32 1q2y h GLU 34 CO 0.00 0.00 -0.70 0.42 0.07 0.00 0.00 179.01 178.80 1q2y s ILE 35 N -3.23 3.66 0.21 -1.06 1.01 -1.14 -5.03 121.20 115.63 1q2y s ILE 35 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1q2y s ILE 35 Cb 0.11 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1q2y s ILE 35 CO 0.51 0.54 0.04 -0.90 0.00 0.00 0.00 174.94 175.12 1q2y n ASP 36 N 3.05 2.39 -0.11 3.58 3.85 -1.26 -5.03 116.55 123.02 1q2y n ASP 36 Ca -0.18 -1.89 0.05 0.00 -0.71 0.00 0.00 54.79 52.07 1q2y n ASP 36 Cb 0.53 0.11 0.26 0.00 -1.35 0.00 0.00 41.12 40.67 1q2y n ASP 36 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1q2y n GLU 37 N -0.64 1.14 -0.10 0.11 -0.58 -1.26 -3.72 120.64 115.60 1q2y n GLU 37 Ca -0.07 -0.21 0.07 0.00 -0.42 0.00 0.00 57.16 56.53 1q2y n GLU 37 Cb 0.26 -1.17 0.12 0.00 -0.57 0.00 0.00 31.44 30.08 1q2y n GLU 37 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1q2y n LEU 38 N -0.44 2.66 -0.30 -4.62 4.77 -1.26 -4.67 117.00 113.13 1q2y n LEU 38 Ca 0.08 -1.44 -0.01 0.00 -0.03 0.00 0.00 56.01 54.61 1q2y n LEU 38 Cb 0.08 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1q2y n LEU 38 CO 0.06 0.58 1.20 -0.33 -1.33 0.00 0.00 177.39 177.57 1q2y h GLU 39 N 2.78 0.99 0.00 3.23 4.39 -1.94 -2.24 114.58 121.78 1q2y h GLU 39 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1q2y h GLU 39 Cb 0.69 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1q2y h GLU 39 CO 0.00 0.65 0.00 -0.91 -1.16 0.00 0.00 179.01 177.59 1q2y h ASN 40 N 1.02 0.00 0.14 1.42 2.35 -1.90 -2.88 115.58 115.72 1q2y h ASN 40 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1q2y h ASN 40 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1q2y h ASN 40 CO -0.13 0.00 -0.30 -0.62 -1.65 0.00 0.00 177.43 174.72 1q2y n GLU 41 N -2.69 1.04 -4.17 0.81 1.02 -0.88 -4.93 120.64 110.84 1q2y n GLU 41 Ca 0.03 -0.71 -0.22 0.00 -0.02 0.00 0.00 57.16 56.23 1q2y n GLU 41 Cb 0.36 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1q2y n GLU 41 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1q2y s SER 42 N -2.45 5.10 -0.15 1.62 0.01 -1.00 -4.81 113.70 112.02 1q2y s SER 42 Ca 0.23 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 1q2y s SER 42 Cb 0.19 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 1q2y s SER 42 CO 0.52 -0.04 0.04 -0.70 0.41 0.00 0.00 173.24 173.47 1q2y s GLU 43 N -3.78 3.62 -0.04 12.44 2.12 -0.22 -4.94 118.70 127.90 1q2y s GLU 43 Ca 0.33 -0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 1q2y s GLU 43 Cb -0.07 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1q2y s GLU 43 CO 0.23 0.44 0.01 -1.01 -0.54 0.00 0.00 175.26 174.39 1q2y s HIS 44 N -0.11 3.14 -0.02 5.30 3.76 -1.26 -1.86 115.29 124.24 1q2y s HIS 44 Ca 0.06 0.15 0.06 0.00 -0.15 0.00 0.00 55.06 55.18 1q2y s HIS 44 Cb -0.12 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1q2y s HIS 44 CO 0.01 0.48 -0.20 0.42 -0.85 0.00 0.00 174.74 174.61 1q2y s ILE 45 N -1.01 1.55 -0.01 0.60 1.01 -0.40 -0.97 121.20 121.98 1q2y s ILE 45 Ca 0.17 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1q2y s ILE 45 Cb -0.11 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1q2y s ILE 45 CO 0.07 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.60 1q2y s VAL 46 N -0.42 1.24 -0.17 2.92 1.01 -0.03 -1.73 120.40 123.22 1q2y s VAL 46 Ca 0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1q2y s VAL 46 Cb -0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1q2y s VAL 46 CO -0.00 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.69 1q2y s VAL 47 N -0.41 3.76 0.07 2.92 1.01 -0.16 -0.01 120.40 127.58 1q2y s VAL 47 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1q2y s VAL 47 Cb -0.06 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1q2y s VAL 47 CO -0.00 0.48 -0.10 -0.31 0.00 0.00 0.00 175.10 175.16 1q2y s TYR 48 N 0.61 2.74 -0.36 5.22 1.51 0.10 -0.49 117.35 126.69 1q2y s TYR 48 Ca -0.03 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1q2y s TYR 48 Cb -0.14 -1.47 0.11 0.00 -0.11 0.00 0.00 41.96 40.34 1q2y s TYR 48 CO 0.02 0.39 0.10 0.34 -1.11 0.00 0.00 175.55 175.29 1q2y s ASP 49 N -1.93 4.51 1.04 2.29 -1.08 -0.31 0.09 116.67 121.27 1q2y s ASP 49 Ca 0.19 -2.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.03 1q2y s ASP 49 Cb -0.11 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.90 1q2y s ASP 49 CO 0.11 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1q2y n GLY 50 N 4.18 1.16 1.10 2.66 0.00 -1.26 -2.40 105.19 110.65 1q2y n GLY 50 Ca 0.03 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1q2y n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q2y n GLU 51 N 12.55 2.46 -3.22 1.61 0.28 -1.26 -4.92 120.64 128.13 1q2y n GLU 51 Ca 0.00 -2.19 -0.39 0.00 -0.16 0.00 0.00 57.16 54.43 1q2y n GLU 51 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 1q2y n GLU 51 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1q2y s LYS 52 N -1.60 4.33 -0.10 3.44 2.20 -1.01 -5.04 119.74 121.96 1q2y s LYS 52 Ca 0.37 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 1q2y s LYS 52 Cb 0.22 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1q2y s LYS 52 CO 0.31 0.04 1.04 -1.25 -0.36 0.00 0.00 175.35 175.14 1q2y s PRO 53 N 0.96 4.41 0.00 4.03 0.04 -1.26 -1.17 135.00 142.01 1q2y s PRO 53 Ca 0.29 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1q2y s PRO 53 Cb -0.16 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1q2y s PRO 53 CO 0.12 -0.34 0.65 1.33 0.04 0.00 0.00 177.00 178.80 1q2y n VAL 54 N 4.57 0.32 -3.54 -0.36 0.24 0.36 -4.95 118.33 114.97 1q2y n VAL 54 Ca 0.09 -0.65 -0.10 0.00 -2.04 0.00 0.00 64.34 61.64 1q2y n VAL 54 Cb 0.48 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.67 1q2y n VAL 54 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1q2y s GLY 55 N -0.32 -0.39 0.11 7.63 0.00 -1.15 -4.32 107.32 108.89 1q2y s GLY 55 Ca 0.00 1.50 -0.22 0.00 0.00 0.00 0.00 44.72 46.00 1q2y s GLY 55 CO 0.00 0.70 0.55 0.00 0.00 0.00 0.00 173.10 174.35 1q2y s ALA 56 N -2.05 -1.42 0.10 3.20 0.00 -0.73 -0.99 121.76 119.87 1q2y s ALA 56 Ca 0.01 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1q2y s ALA 56 Cb -0.01 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.88 1q2y s ALA 56 CO -0.03 -0.66 1.11 0.20 0.00 0.00 0.00 175.76 176.39 1q2y s GLY 57 N -2.48 -0.17 0.11 0.00 0.00 -0.71 -0.31 107.32 103.76 1q2y s GLY 57 Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 1q2y s GLY 57 CO -0.09 1.42 0.21 1.09 0.00 0.00 0.00 173.10 175.73 1q2y s ARG 58 N -2.57 0.92 0.08 2.90 1.70 -0.84 -1.27 118.95 119.87 1q2y s ARG 58 Ca 0.18 -1.03 -0.12 0.00 -0.47 0.00 0.00 55.73 54.29 1q2y s ARG 58 Cb 0.00 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 1q2y s ARG 58 CO 0.01 -0.31 0.27 1.67 -1.08 0.00 0.00 175.30 175.86 1q2y s TRP 59 N -3.89 -0.01 0.08 5.89 1.48 -0.78 -0.94 118.94 120.77 1q2y s TRP 59 Ca 0.09 -0.29 -0.22 0.00 -1.06 0.00 0.00 56.10 54.62 1q2y s TRP 59 Cb 0.05 0.06 0.05 0.00 -1.16 0.00 0.00 33.47 32.47 1q2y s TRP 59 CO -0.08 -0.55 0.52 -0.98 -4.06 0.00 0.00 176.95 171.80 1q2y s ARG 60 N -3.32 1.09 0.04 3.25 1.70 -0.65 -1.06 118.95 120.00 1q2y s ARG 60 Ca 0.01 -0.36 -0.29 0.00 -0.47 0.00 0.00 55.73 54.62 1q2y s ARG 60 Cb 0.02 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1q2y s ARG 60 CO -0.08 -0.42 0.92 1.41 -1.08 0.00 0.00 175.30 176.05 1q2y s MET 61 N -2.92 4.59 -0.18 3.89 -2.45 -1.26 0.05 119.30 121.02 1q2y s MET 61 Ca -0.03 1.34 -0.04 0.00 -1.25 0.00 0.00 55.69 55.71 1q2y s MET 61 Cb -0.00 -3.42 0.08 0.00 1.25 0.00 0.00 34.83 32.74 1q2y s MET 61 CO -0.06 0.10 0.22 0.21 1.05 0.00 0.00 175.02 176.55 1q2y s LYS 62 N 0.48 0.16 -1.50 4.11 2.47 -0.13 -4.89 119.74 120.44 1q2y s LYS 62 Ca 0.47 0.34 -0.09 0.00 -1.56 0.00 0.00 55.97 55.13 1q2y s LYS 62 Cb -0.21 -0.89 0.07 0.00 -1.46 0.00 0.00 37.83 35.33 1q2y s LYS 62 CO 0.27 -0.55 0.75 -0.25 0.16 0.00 0.00 175.35 175.73 1q2y n ASP 63 N 5.33 -2.69 0.00 1.43 8.00 -1.26 -1.24 116.55 126.11 1q2y n ASP 63 Ca -0.05 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1q2y n ASP 63 Cb 0.50 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1q2y n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q2y n GLY 64 N -1.68 2.80 3.97 0.44 0.00 -1.26 -5.01 105.19 104.45 1q2y n GLY 64 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1q2y n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q2y s TYR 65 N -2.43 3.31 -0.33 1.61 1.51 -0.37 -0.48 117.35 120.17 1q2y s TYR 65 Ca 0.00 0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.93 1q2y s TYR 65 Cb 0.00 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1q2y s TYR 65 CO 0.00 0.12 0.30 0.20 -1.11 0.00 0.00 175.55 175.05 1q2y s GLY 66 N -4.09 1.93 -0.33 0.71 0.00 -0.49 -0.96 107.32 104.09 1q2y s GLY 66 Ca 0.41 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 1q2y s GLY 66 CO 0.32 0.87 0.45 1.25 0.00 0.00 0.00 173.10 175.99 1q2y s LYS 67 N 1.89 3.70 -0.18 2.90 2.20 0.11 -1.61 119.74 128.75 1q2y s LYS 67 Ca 0.09 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.42 1q2y s LYS 67 Cb -0.17 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1q2y s LYS 67 CO 0.11 -0.53 0.22 -0.51 -0.36 0.00 0.00 175.35 174.28 1q2y s LEU 68 N 2.23 4.23 0.10 5.43 1.43 -0.02 -1.64 118.68 130.44 1q2y s LEU 68 Ca 0.16 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1q2y s LEU 68 Cb -0.16 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1q2y s LEU 68 CO 0.12 0.13 0.08 -1.61 0.23 0.00 0.00 176.35 175.30 1q2y s GLU 69 N 0.43 0.83 -1.32 1.70 2.02 -0.12 -2.48 118.70 119.77 1q2y s GLU 69 Ca 0.13 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.74 1q2y s GLU 69 Cb -0.12 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.38 1q2y s GLU 69 CO 0.01 -0.23 0.49 0.54 0.02 0.00 0.00 175.26 176.09 1q2y n ARG 70 N -0.03 -1.62 -2.52 1.61 1.74 -1.26 -1.99 116.66 112.58 1q2y n ARG 70 Ca -0.10 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1q2y n ARG 70 Cb 0.62 -3.77 -0.02 0.00 -1.02 0.00 0.00 32.46 28.27 1q2y n ARG 70 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q2y s ILE 71 N -3.82 4.31 -0.15 0.55 1.09 -1.26 -4.08 121.20 117.83 1q2y s ILE 71 Ca 0.23 1.50 0.02 0.00 -1.10 0.00 0.00 60.65 61.30 1q2y s ILE 71 Cb -0.11 -4.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.03 1q2y s ILE 71 CO 0.92 -0.48 -0.20 0.00 -0.10 0.00 0.00 174.94 175.08 1q2y s VAL 73 N 1.04 0.76 0.69 0.00 1.01 -1.26 -1.77 120.40 120.87 1q2y s VAL 73 Ca -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1q2y s VAL 73 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1q2y s VAL 73 CO -0.06 -0.11 1.19 -1.48 0.00 0.00 0.00 175.10 174.64 1q2y s LEU 74 N 1.76 3.41 0.28 3.92 2.34 -1.26 -4.82 118.68 124.31 1q2y s LEU 74 Ca -0.01 2.32 0.00 0.00 0.06 0.00 0.00 54.13 56.50 1q2y s LEU 74 Cb -0.17 -4.59 0.66 0.00 -0.56 0.00 0.00 46.19 41.53 1q2y s LEU 74 CO -0.07 -2.01 1.64 0.11 -1.06 0.00 0.00 176.35 174.96 1q2y h LYS 75 N 0.04 0.17 -0.37 1.48 1.57 -1.98 -0.57 116.57 116.91 1q2y h LYS 75 Ca -0.48 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.39 1q2y h LYS 75 Cb 1.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1q2y h LYS 75 CO 0.52 0.11 0.40 0.66 -0.57 0.00 0.00 179.45 180.57 1q2y h SER 76 N 0.18 0.00 -0.02 0.86 4.64 -2.00 -2.46 113.55 114.75 1q2y h SER 76 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 1q2y h SER 76 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1q2y h SER 76 CO -0.67 0.00 -0.38 1.41 -0.87 0.00 0.00 176.83 176.32 1q2y n HIS 77 N -3.75 0.07 0.17 4.77 8.25 -0.23 -4.77 115.22 119.72 1q2y n HIS 77 Ca 0.06 -1.41 0.02 0.00 -0.26 0.00 0.00 57.72 56.13 1q2y n HIS 77 Cb 0.56 -0.25 0.35 0.00 1.12 0.00 0.00 29.99 31.77 1q2y n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q2y h ARG 78 N 0.83 0.07 -0.46 -0.41 3.08 -1.42 -2.90 114.38 113.17 1q2y h ARG 78 Ca 0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1q2y h ARG 78 Cb 1.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1q2y h ARG 78 CO 0.02 0.40 0.00 -1.13 -1.07 0.00 0.00 179.97 178.20 1q2y n SER 79 N -4.12 5.07 -0.56 7.04 3.41 -1.26 -4.38 113.62 118.82 1q2y n SER 79 Ca -0.02 -2.97 0.12 0.00 -0.26 0.00 0.00 58.87 55.74 1q2y n SER 79 Cb 0.39 -0.64 0.21 0.00 -0.26 0.00 0.00 64.21 63.91 1q2y n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q2y n ALA 80 N 0.20 2.98 -1.03 7.33 0.00 -1.09 -4.97 120.51 123.93 1q2y n ALA 80 Ca 0.26 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1q2y n ALA 80 Cb 1.09 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 1q2y n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2y n GLY 81 N 1.34 0.45 0.17 0.00 0.00 -1.26 -4.93 105.19 100.96 1q2y n GLY 81 Ca 0.13 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.15 1q2y n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q2y h VAL 82 N 0.00 1.23 0.06 1.61 2.07 -1.88 -3.25 116.25 116.08 1q2y h VAL 82 Ca -0.02 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 65.89 1q2y h VAL 82 Cb 0.06 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1q2y h VAL 82 CO 0.03 0.45 -0.10 1.23 0.02 0.00 0.00 177.57 179.20 1q2y h GLY 83 N 1.58 -0.16 1.69 2.17 0.00 -1.91 -1.65 103.07 104.79 1q2y h GLY 83 Ca -0.00 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1q2y h GLY 83 CO 0.06 -0.10 -0.07 -1.33 0.00 0.00 0.00 176.54 175.10 1q2y h GLY 84 N -0.20 0.42 0.95 4.60 0.00 -1.99 -2.34 103.07 104.52 1q2y h GLY 84 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1q2y h GLY 84 CO -0.06 0.24 -0.13 -2.22 0.00 0.00 0.00 176.54 174.37 1q2y h ILE 85 N 0.37 1.28 -0.02 2.60 2.04 -1.52 -2.10 117.51 120.16 1q2y h ILE 85 Ca 0.08 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 1q2y h ILE 85 Cb 0.36 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1q2y h ILE 85 CO 0.02 0.40 0.00 0.40 0.00 0.00 0.00 178.15 178.97 1q2y h ILE 86 N 0.49 1.22 -0.42 -0.67 2.04 -1.17 -1.97 117.51 117.03 1q2y h ILE 86 Ca 0.08 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.35 1q2y h ILE 86 Cb 0.66 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 1q2y h ILE 86 CO 0.04 0.18 0.04 0.24 0.00 0.00 0.00 178.15 178.65 1q2y h MET 87 N -0.24 0.15 -0.69 2.37 2.86 -1.44 0.81 114.93 118.75 1q2y h MET 87 Ca 0.01 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1q2y h MET 87 Cb 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1q2y h MET 87 CO 0.00 0.10 0.18 -0.22 1.06 0.00 0.00 176.91 178.03 1q2y h LYS 88 N 0.16 1.10 -0.34 1.72 3.64 -1.38 -0.44 116.57 121.01 1q2y h LYS 88 Ca 0.21 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1q2y h LYS 88 Cb 0.28 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1q2y h LYS 88 CO -0.31 0.96 0.05 0.00 -2.27 0.00 0.00 179.45 177.87 1q2y h ALA 89 N 1.15 0.46 -0.31 5.00 0.00 -0.63 -1.04 119.26 123.89 1q2y h ALA 89 Ca 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1q2y h ALA 89 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1q2y h ALA 89 CO -0.00 0.17 0.14 -0.07 0.00 0.00 0.00 179.25 179.49 1q2y h LEU 90 N 0.40 0.40 -0.74 0.00 3.38 -0.64 -0.43 115.31 117.69 1q2y h LEU 90 Ca 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1q2y h LEU 90 Cb 0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1q2y h LEU 90 CO 0.01 0.42 0.47 -0.33 0.09 0.00 0.00 178.44 179.10 1q2y h GLU 91 N 0.36 0.99 -0.01 1.13 5.08 -1.00 0.43 114.58 121.56 1q2y h GLU 91 Ca 0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1q2y h GLU 91 Cb 0.13 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1q2y h GLU 91 CO -0.01 0.68 0.01 -0.22 -1.00 0.00 0.00 179.01 178.46 1q2y h LYS 92 N 1.01 0.01 -0.66 2.33 3.64 -0.93 -0.10 116.57 121.88 1q2y h LYS 92 Ca 0.27 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1q2y h LYS 92 Cb -0.08 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1q2y h LYS 92 CO -0.05 0.09 0.37 0.00 -2.27 0.00 0.00 179.45 177.59 1q2y h ALA 93 N 0.92 0.84 -0.38 5.00 0.00 -0.81 -0.98 119.26 123.86 1q2y h ALA 93 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1q2y h ALA 93 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1q2y h ALA 93 CO -0.00 0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.78 1q2y h ALA 94 N 1.18 0.49 0.03 0.00 0.00 -0.76 -0.90 119.26 119.30 1q2y h ALA 94 Ca 0.23 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q2y h ALA 94 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1q2y h ALA 94 CO -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 1q2y h ALA 95 N 1.04 -0.11 -0.12 0.00 0.00 -0.68 -0.92 119.26 118.46 1q2y h ALA 95 Ca 0.13 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1q2y h ALA 95 Cb 0.11 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1q2y h ALA 95 CO -0.02 -0.58 0.09 -0.44 0.00 0.00 0.00 179.25 178.29 1q2y h ASP 96 N -0.16 0.01 0.24 0.00 3.32 -1.04 0.17 116.42 118.96 1q2y h ASP 96 Ca 0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1q2y h ASP 96 Cb 0.18 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1q2y h ASP 96 CO -0.06 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 1q2y n GLY 97 N -1.56 -0.93 0.86 2.75 0.00 -0.36 -4.86 105.19 101.10 1q2y n GLY 97 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1q2y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2y n GLY 98 N 0.64 1.04 3.82 -0.02 0.00 0.59 -5.06 105.19 106.20 1q2y n GLY 98 Ca 0.15 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1q2y n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2y s ALA 99 N -2.00 2.94 -0.42 4.61 0.00 -0.54 -4.98 121.76 121.37 1q2y s ALA 99 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1q2y s ALA 99 Cb 0.00 -3.18 0.12 0.00 0.00 0.00 0.00 23.12 20.06 1q2y s ALA 99 CO 0.00 -0.30 0.19 0.45 0.00 0.00 0.00 175.76 176.09 1q2y s SER 100 N -2.55 4.01 0.00 0.00 0.15 0.37 -4.72 113.70 110.96 1q2y s SER 100 Ca 0.63 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.84 1q2y s SER 100 Cb -0.13 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1q2y s SER 100 CO 0.26 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1q2y n GLY 101 N 3.82 -0.32 3.09 9.45 0.00 -1.26 -4.16 105.19 115.81 1q2y n GLY 101 Ca 0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1q2y n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q2y s PHE 102 N -2.55 1.24 -0.11 1.61 0.40 0.65 -1.40 117.98 117.82 1q2y s PHE 102 Ca 0.00 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.11 1q2y s PHE 102 Cb 0.00 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1q2y s PHE 102 CO 0.00 -0.04 -0.23 0.42 0.70 0.00 0.00 175.22 176.06 1q2y s ILE 103 N -0.23 2.04 -0.03 0.64 1.01 -0.63 -1.11 121.20 122.87 1q2y s ILE 103 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1q2y s ILE 103 Cb -0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1q2y s ILE 103 CO -0.00 0.55 -0.17 -0.22 0.00 0.00 0.00 174.94 175.10 1q2y s LEU 104 N 0.45 1.95 -0.41 2.97 2.96 0.45 -0.84 118.68 126.21 1q2y s LEU 104 Ca -0.16 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.25 1q2y s LEU 104 Cb -0.17 -0.93 0.02 0.00 0.50 0.00 0.00 46.19 45.61 1q2y s LEU 104 CO 0.07 0.17 0.41 0.20 -1.32 0.00 0.00 176.35 175.88 1q2y s ASN 105 N -0.12 6.18 -0.05 3.68 -0.87 -1.03 -0.13 114.94 122.60 1q2y s ASN 105 Ca 0.00 -0.67 0.02 0.00 -1.57 0.00 0.00 52.86 50.64 1q2y s ASN 105 Cb -0.10 -2.21 -0.03 0.00 -0.02 0.00 0.00 41.25 38.89 1q2y s ASN 105 CO 0.01 -0.54 -0.10 0.00 -2.57 0.00 0.00 177.10 173.91 1q2y s ALA 106 N 2.05 2.87 0.30 0.60 0.00 -0.19 -4.53 121.76 122.86 1q2y s ALA 106 Ca 0.11 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1q2y s ALA 106 Cb -0.17 -1.12 -0.10 0.00 0.00 0.00 0.00 23.12 21.72 1q2y s ALA 106 CO 0.13 0.57 1.45 -0.65 0.00 0.00 0.00 175.76 177.26 1q2y s GLN 107 N -0.85 4.23 0.29 0.00 -0.21 -1.26 -0.49 119.66 121.37 1q2y s GLN 107 Ca 0.13 2.38 0.03 0.00 0.02 0.00 0.00 55.36 57.92 1q2y s GLN 107 Cb -0.11 -3.06 0.72 0.00 1.00 0.00 0.00 33.01 31.56 1q2y s GLN 107 CO 0.02 -0.43 1.69 1.15 -2.12 0.00 0.00 175.29 175.60 1q2y h THR 108 N 3.31 0.47 0.00 -0.19 2.02 -1.78 0.49 112.91 117.22 1q2y h THR 108 Ca -0.48 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1q2y h THR 108 Cb 1.22 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1q2y h THR 108 CO 0.73 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.69 1q2y n GLN 109 N -5.06 0.16 -0.02 6.66 3.00 -1.26 -2.63 117.38 118.23 1q2y n GLN 109 Ca 0.22 0.37 0.12 0.00 -0.01 0.00 0.00 57.00 57.70 1q2y n GLN 109 Cb 0.65 -1.79 0.24 0.00 0.00 0.00 0.00 30.24 29.34 1q2y n GLN 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q2y n ALA 110 N -1.72 2.49 -0.22 -1.58 0.00 0.16 -4.48 120.51 115.17 1q2y n ALA 110 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1q2y n ALA 110 Cb 0.23 -0.92 0.12 0.00 0.00 0.00 0.00 19.45 18.88 1q2y n ALA 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q2y h VAL 111 N 3.95 0.80 -0.52 0.00 2.07 -1.49 -2.31 116.25 118.75 1q2y h VAL 111 Ca 0.00 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1q2y h VAL 111 Cb 0.84 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1q2y h VAL 111 CO 0.00 0.09 0.13 -0.65 0.02 0.00 0.00 177.57 177.15 1q2y h PRO 112 N 0.48 0.26 -0.04 1.57 0.11 -1.84 -1.45 132.00 131.09 1q2y h PRO 112 Ca 0.32 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.45 1q2y h PRO 112 Cb 0.37 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 1q2y h PRO 112 CO -0.29 0.17 -0.16 0.35 -0.21 0.00 0.00 178.00 177.86 1q2y h PHE 113 N 0.27 -0.42 -0.09 0.65 3.57 -1.74 -2.24 116.94 116.94 1q2y h PHE 113 Ca 0.26 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1q2y h PHE 113 Cb 0.35 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1q2y h PHE 113 CO -0.22 -0.24 -0.02 1.88 -2.23 0.00 0.00 178.31 177.48 1q2y h TYR 114 N -0.25 0.12 -0.15 0.41 0.99 -1.10 0.31 116.97 117.31 1q2y h TYR 114 Ca 0.07 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1q2y h TYR 114 Cb 0.34 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.02 1q2y h TYR 114 CO -0.24 0.16 -0.16 0.87 -0.00 0.00 0.00 178.16 178.79 1q2y h LYS 115 N 0.13 0.25 0.00 4.88 1.57 -0.71 -0.16 116.57 122.52 1q2y h LYS 115 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1q2y h LYS 115 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1q2y h LYS 115 CO 0.00 0.41 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.04 1q2y h LYS 116 N 0.23 0.00 -0.48 3.15 1.63 -0.49 -2.65 116.57 117.96 1q2y h LYS 116 Ca 0.04 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.72 1q2y h LYS 116 Cb 0.42 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.98 1q2y h LYS 116 CO 0.03 0.03 0.10 0.72 -3.45 0.00 0.00 179.45 176.87 1q2y n HIS 117 N -3.19 1.62 -0.68 1.91 8.25 -0.17 -4.95 115.22 118.00 1q2y n HIS 117 Ca -0.01 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.29 1q2y n HIS 117 Cb 0.23 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1q2y n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q2y n GLY 118 N -0.48 0.63 3.86 -1.41 0.00 -1.00 -5.06 105.19 101.74 1q2y n GLY 118 Ca 0.32 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1q2y n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q2y s TYR 119 N -2.00 3.62 0.02 1.61 2.02 -0.61 -4.62 117.35 117.38 1q2y s TYR 119 Ca 0.00 0.77 0.07 0.00 -0.37 0.00 0.00 57.07 57.54 1q2y s TYR 119 Cb 0.00 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 1q2y s TYR 119 CO 0.00 0.59 -0.21 1.03 -1.57 0.00 0.00 175.55 175.39 1q2y s ARG 120 N -1.60 1.55 0.24 -0.62 0.52 -0.66 -4.05 118.95 114.33 1q2y s ARG 120 Ca 0.28 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 1q2y s ARG 120 Cb -0.14 -1.59 -0.11 0.00 0.52 0.00 0.00 34.95 33.62 1q2y s ARG 120 CO 0.15 0.42 1.63 0.08 0.02 0.00 0.00 175.30 177.60 1q2y s VAL 121 N -0.67 2.17 -0.10 3.52 1.01 -1.26 -1.03 120.40 124.04 1q2y s VAL 121 Ca 0.08 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1q2y s VAL 121 Cb -0.09 -3.08 -0.24 0.00 0.00 0.00 0.00 36.38 32.98 1q2y s VAL 121 CO 0.01 0.02 0.44 -0.11 0.00 0.00 0.00 175.10 175.46 1q2y n LEU 122 N 3.10 1.27 -3.74 3.92 7.94 0.37 -4.84 117.00 125.03 1q2y n LEU 122 Ca 0.12 0.27 -0.13 0.00 -1.11 0.00 0.00 56.01 55.15 1q2y n LEU 122 Cb 0.37 -0.14 -0.09 0.00 0.53 0.00 0.00 43.42 44.08 1q2y n LEU 122 CO 0.63 0.55 0.07 -0.55 -1.11 0.00 0.00 177.39 176.98 1q2y s SER 123 N -6.24 -0.34 0.00 1.96 0.15 -1.23 -5.03 113.70 102.97 1q2y s SER 123 Ca -0.11 0.54 0.29 0.00 0.70 0.00 0.00 55.95 57.37 1q2y s SER 123 Cb 0.07 0.62 1.34 0.00 -1.71 0.00 0.00 66.02 66.34 1q2y s SER 123 CO 0.80 -0.26 1.97 -0.62 1.20 0.00 0.00 173.24 176.32 1q2y n GLU 124 N 2.23 0.18 -2.55 5.44 1.02 -1.26 -4.47 120.64 121.23 1q2y n GLU 124 Ca -0.16 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.54 1q2y n GLU 124 Cb 0.57 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1q2y n GLU 124 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1q2y s LYS 125 N -2.83 4.25 0.36 3.49 2.47 -1.26 -5.02 119.74 121.20 1q2y s LYS 125 Ca 0.20 1.51 -0.18 0.00 -1.56 0.00 0.00 55.97 55.93 1q2y s LYS 125 Cb 0.19 -3.70 -0.10 0.00 -1.46 0.00 0.00 37.83 32.77 1q2y s LYS 125 CO 0.51 -0.66 0.84 -1.21 0.16 0.00 0.00 175.35 174.99 1q2y s GLU 126 N 3.30 4.15 0.08 4.03 2.02 -1.26 -4.68 118.70 126.33 1q2y s GLU 126 Ca 0.49 0.91 -0.08 0.00 0.02 0.00 0.00 54.97 56.32 1q2y s GLU 126 Cb -0.18 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1q2y s GLU 126 CO 0.10 0.10 0.15 -0.59 0.02 0.00 0.00 175.26 175.05 1q2y s PHE 127 N -2.02 0.20 -0.11 1.61 -0.12 -0.71 -4.96 117.98 111.87 1q2y s PHE 127 Ca 0.56 -0.62 -0.18 0.00 -0.05 0.00 0.00 56.93 56.65 1q2y s PHE 127 Cb -0.11 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1q2y s PHE 127 CO 0.16 -0.50 0.47 -0.51 -0.05 0.00 0.00 175.22 174.78 1q2y s LEU 128 N -2.77 4.29 -0.10 -1.99 1.43 -1.26 -0.23 118.68 118.05 1q2y s LEU 128 Ca 0.04 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 1q2y s LEU 128 Cb 0.05 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1q2y s LEU 128 CO -0.10 0.03 -0.17 -0.67 0.23 0.00 0.00 176.35 175.67 1q2y n ASP 129 N 3.54 1.18 -2.73 2.29 -0.08 -0.57 -4.64 116.55 115.54 1q2y n ASP 129 Ca -0.08 0.34 -0.26 0.00 -1.51 0.00 0.00 54.79 53.28 1q2y n ASP 129 Cb 0.52 -0.69 -0.02 0.00 2.34 0.00 0.00 41.12 43.27 1q2y n ASP 129 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q2y n ALA 130 N -3.45 4.68 -0.95 -1.67 0.00 -1.26 -4.80 120.51 113.05 1q2y n ALA 130 Ca -0.07 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 48.97 1q2y n ALA 130 Cb 0.25 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1q2y n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2y n GLY 131 N -0.32 0.83 3.41 0.00 0.00 -1.26 -4.83 105.19 103.02 1q2y n GLY 131 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 1q2y n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q2y s ILE 132 N -3.45 2.63 0.08 -0.61 -1.09 -1.26 -4.99 121.20 112.51 1q2y s ILE 132 Ca 0.00 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.15 1q2y s ILE 132 Cb 0.00 -2.01 -0.09 0.00 -1.58 0.00 0.00 42.46 38.78 1q2y s ILE 132 CO 0.00 0.54 1.85 -2.84 -1.23 0.00 0.00 174.94 173.26 1q2y s PRO 133 N -0.83 4.15 0.22 2.79 0.02 -1.26 -1.51 135.00 138.58 1q2y s PRO 133 Ca 0.11 2.56 0.02 0.00 0.02 0.00 0.00 61.00 63.71 1q2y s PRO 133 Cb -0.10 -3.80 -0.05 0.00 0.02 0.00 0.00 34.50 30.57 1q2y s PRO 133 CO 0.01 -0.87 0.05 -1.01 -0.33 0.00 0.00 177.00 174.85 1q2y s HIS 134 N 3.35 1.42 0.03 6.54 3.76 0.69 -2.41 115.29 128.67 1q2y s HIS 134 Ca 0.82 -1.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1q2y s HIS 134 Cb -0.44 -0.83 -0.02 0.00 1.11 0.00 0.00 32.58 32.41 1q2y s HIS 134 CO 0.37 -0.25 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.42 1q2y s LEU 135 N -3.26 2.20 -0.14 0.89 1.43 0.36 -1.74 118.68 118.41 1q2y s LEU 135 Ca 0.31 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1q2y s LEU 135 Cb 0.07 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 1q2y s LEU 135 CO 0.09 -0.12 0.20 -1.58 0.23 0.00 0.00 176.35 175.18 1q2y s GLN 136 N -1.24 3.91 0.28 1.70 0.74 -1.26 -1.02 119.66 122.77 1q2y s GLN 136 Ca -0.06 -0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.37 1q2y s GLN 136 Cb -0.08 -3.32 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 1q2y s GLN 136 CO 0.00 0.50 -0.06 -1.64 -0.55 0.00 0.00 175.29 173.55 1q2y s MET 137 N -0.26 1.55 0.05 1.67 -1.94 0.82 -0.48 119.30 120.72 1q2y s MET 137 Ca 0.14 -1.79 0.01 0.00 -1.71 0.00 0.00 55.69 52.35 1q2y s MET 137 Cb -0.12 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 1q2y s MET 137 CO 0.03 0.03 -0.06 1.41 -0.01 0.00 0.00 175.02 176.42 1q2y s MET 138 N -3.73 0.58 -0.07 2.03 1.75 -0.20 -0.41 119.30 119.25 1q2y s MET 138 Ca 0.30 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1q2y s MET 138 Cb 0.04 -0.17 0.04 0.00 2.84 0.00 0.00 34.83 37.58 1q2y s MET 138 CO 0.12 0.00 0.14 0.21 -0.65 0.00 0.00 175.02 174.84 1q2y s LYS 139 N -2.34 0.04 0.00 4.11 2.20 -0.27 -1.65 119.74 121.84 1q2y s LYS 139 Ca -0.04 0.46 0.25 0.00 -0.36 0.00 0.00 55.97 56.28 1q2y s LYS 139 Cb -0.05 -0.25 0.44 0.00 -1.51 0.00 0.00 37.83 36.46 1q2y s LYS 139 CO -0.02 -0.25 1.40 -0.25 -0.36 0.00 0.00 175.35 175.87