#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jce s ASP 5 N 0.00 2.54 0.04 3.14 -0.00 -1.26 -2.80 116.67 118.33 1jce s ASP 5 Ca 0.00 -0.41 0.04 0.00 -0.00 0.00 0.00 52.55 52.18 1jce s ASP 5 Cb 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 42.92 42.35 1jce s ASP 5 CO 0.00 0.22 -0.12 0.27 -0.00 0.00 0.00 175.17 175.54 1jce s ILE 6 N -0.22 0.95 -0.10 0.77 -4.36 -0.97 -1.63 121.20 115.64 1jce s ILE 6 Ca 0.01 -1.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1jce s ILE 6 Cb -0.11 -0.89 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1jce s ILE 6 CO 0.01 -0.10 0.02 -0.83 0.24 0.00 0.00 174.94 174.28 1jce s GLY 7 N -1.25 1.88 -0.08 6.27 0.00 0.98 -2.49 107.32 112.64 1jce s GLY 7 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.93 1jce s GLY 7 CO 0.01 -0.48 -0.09 -0.42 0.00 0.00 0.00 173.10 172.13 1jce s ILE 8 N -0.74 1.00 -0.58 0.90 1.01 0.15 -0.39 121.20 122.54 1jce s ILE 8 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1jce s ILE 8 Cb -0.12 -0.97 0.15 0.00 0.01 0.00 0.00 42.46 41.53 1jce s ILE 8 CO 0.02 0.34 0.46 -0.62 0.00 0.00 0.00 174.94 175.14 1jce s ASP 9 N 1.18 5.79 -1.29 3.58 3.68 0.18 -1.95 116.67 127.85 1jce s ASP 9 Ca -0.05 -2.32 -0.09 0.00 2.13 0.00 0.00 52.55 52.22 1jce s ASP 9 Cb -0.14 -2.01 0.16 0.00 -1.45 0.00 0.00 42.92 39.48 1jce s ASP 9 CO -0.02 -0.58 1.95 -0.11 0.13 0.00 0.00 175.17 176.53 1jce n LEU 10 N 4.34 6.85 -4.76 -1.34 0.00 -1.26 -1.30 117.00 119.53 1jce n LEU 10 Ca 0.01 -4.68 -0.31 0.00 0.00 0.00 0.00 56.01 51.03 1jce n LEU 10 Cb 0.41 -1.46 0.10 0.00 0.00 0.00 0.00 43.42 42.47 1jce n LEU 10 CO 0.39 1.48 0.70 -0.83 0.00 0.00 0.00 177.39 179.12 1jce s GLY 11 N 0.77 1.68 0.40 -3.96 0.00 -0.82 -4.93 107.32 100.46 1jce s GLY 11 Ca 0.41 0.29 0.19 0.00 0.00 0.00 0.00 44.72 45.62 1jce s GLY 11 CO -0.01 0.65 1.83 -0.91 0.00 0.00 0.00 173.10 174.66 1jce h THR 12 N -1.20 0.92 0.00 0.90 1.35 -1.93 -3.35 112.91 109.60 1jce h THR 12 Ca -0.43 -1.25 -0.23 0.00 -0.55 0.00 0.00 66.41 63.94 1jce h THR 12 Cb 1.23 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.36 1jce h THR 12 CO 0.50 0.32 -1.73 0.00 -0.25 0.00 0.00 175.52 174.36 1jce n ALA 13 N -2.34 1.28 -2.69 6.62 0.00 -1.26 -4.72 120.51 117.40 1jce n ALA 13 Ca -0.01 -0.87 -0.19 0.00 0.00 0.00 0.00 53.44 52.37 1jce n ALA 13 Cb 0.42 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1jce n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jce s ASN 14 N -6.65 1.62 -0.13 0.00 -0.87 -1.26 -0.39 114.94 107.26 1jce s ASN 14 Ca -0.31 -0.55 -0.01 0.00 -1.57 0.00 0.00 52.86 50.43 1jce s ASN 14 Cb 0.09 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.25 41.23 1jce s ASN 14 CO 0.41 -0.04 -0.10 -0.89 -2.57 0.00 0.00 177.10 173.91 1jce s THR 15 N -1.11 3.32 -0.03 1.60 2.01 0.46 -1.95 115.64 119.95 1jce s THR 15 Ca -0.01 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.47 1jce s THR 15 Cb -0.09 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1jce s THR 15 CO 0.02 0.52 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.53 1jce s LEU 16 N 0.22 1.99 -0.10 4.42 2.01 -0.42 -1.52 118.68 125.28 1jce s LEU 16 Ca -0.06 -0.35 0.02 0.00 0.01 0.00 0.00 54.13 53.75 1jce s LEU 16 Cb -0.15 -0.97 0.01 0.00 0.01 0.00 0.00 46.19 45.10 1jce s LEU 16 CO 0.04 0.20 -0.14 -0.69 1.01 0.00 0.00 176.35 176.77 1jce s VAL 17 N -0.25 1.38 -0.20 -1.59 1.01 -0.07 -0.64 120.40 120.04 1jce s VAL 17 Ca 0.03 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1jce s VAL 17 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1jce s VAL 17 CO 0.00 0.42 0.06 0.12 0.00 0.00 0.00 175.10 175.70 1jce s PHE 18 N 0.95 3.19 -0.25 5.22 5.36 0.48 -1.18 117.98 131.74 1jce s PHE 18 Ca -0.08 -0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 55.76 1jce s PHE 18 Cb -0.15 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 1jce s PHE 18 CO -0.01 -0.00 0.04 -1.17 -1.46 0.00 0.00 175.22 172.62 1jce s LEU 19 N 0.74 3.39 -0.30 6.12 1.98 0.81 -0.01 118.68 131.41 1jce s LEU 19 Ca 0.03 -0.43 -0.29 0.00 -2.89 0.00 0.00 54.13 50.56 1jce s LEU 19 Cb -0.13 -1.85 -0.07 0.00 0.66 0.00 0.00 46.19 44.80 1jce s LEU 19 CO 0.02 -0.08 2.27 0.54 -1.89 0.00 0.00 176.35 177.21 1jce n ARG 20 N 4.86 1.62 0.00 1.98 1.74 -0.64 -1.69 116.66 124.53 1jce n ARG 20 Ca -0.16 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1jce n ARG 20 Cb 0.50 -3.14 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1jce n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jce n GLY 21 N 5.95 2.18 0.00 -0.13 0.00 -1.26 -4.77 105.19 107.16 1jce n GLY 21 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1jce n GLY 21 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jce n LYS 22 N 0.00 1.69 0.00 1.61 2.85 -0.77 -5.16 118.16 118.39 1jce n LYS 22 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jce n LYS 22 Cb 0.00 -0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.22 1jce n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jce n GLY 23 N 0.14 0.23 3.59 2.58 0.00 -0.68 -4.91 105.19 106.14 1jce n GLY 23 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1jce n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jce s ILE 24 N 0.00 3.64 -0.74 -0.61 -1.09 -1.26 -0.13 121.20 121.01 1jce s ILE 24 Ca 0.00 0.62 0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1jce s ILE 24 Cb 0.00 -3.93 -0.19 0.00 -1.58 0.00 0.00 42.46 36.76 1jce s ILE 24 CO 0.00 -0.64 0.68 1.33 -1.23 0.00 0.00 174.94 175.08 1jce n VAL 25 N 7.24 0.00 -3.75 2.92 0.24 -0.33 -4.93 118.33 119.73 1jce n VAL 25 Ca 0.20 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 1jce n VAL 25 Cb 0.48 0.95 -0.16 0.00 -1.47 0.00 0.00 33.84 33.63 1jce n VAL 25 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jce s VAL 26 N -2.60 -0.07 -0.36 3.34 1.01 -1.17 -4.89 120.40 115.65 1jce s VAL 26 Ca 0.05 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1jce s VAL 26 Cb 0.12 -0.11 0.16 0.00 0.00 0.00 0.00 36.38 36.55 1jce s VAL 26 CO 0.68 0.10 0.38 0.21 0.00 0.00 0.00 175.10 176.48 1jce s ASN 27 N 1.30 1.05 0.00 3.32 3.04 -1.25 -0.89 114.94 121.51 1jce s ASN 27 Ca -0.06 -1.44 -0.04 0.00 0.04 0.00 0.00 52.86 51.36 1jce s ASN 27 Cb -0.13 0.64 -0.00 0.00 -1.54 0.00 0.00 41.25 40.22 1jce s ASN 27 CO -0.03 -0.27 0.07 -1.61 -3.04 0.00 0.00 177.10 172.22 1jce s GLU 28 N 1.56 0.34 0.50 0.43 0.41 -0.58 -4.98 118.70 116.38 1jce s GLU 28 Ca 0.16 -0.35 -0.22 0.00 -0.41 0.00 0.00 54.97 54.14 1jce s GLU 28 Cb -0.15 0.14 -0.07 0.00 -1.78 0.00 0.00 34.13 32.27 1jce s GLU 28 CO -0.07 -0.07 1.20 -2.30 -0.49 0.00 0.00 175.26 173.53 1jce n PRO 29 N 1.86 1.54 -1.66 0.39 -0.02 -1.26 -0.40 135.00 135.44 1jce n PRO 29 Ca -0.21 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1jce n PRO 29 Cb 0.56 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1jce n PRO 29 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jce n SER 30 N -0.38 6.26 -4.11 2.55 7.64 0.47 -3.96 113.62 122.09 1jce n SER 30 Ca 0.10 -2.80 -0.20 0.00 1.01 0.00 0.00 58.87 56.98 1jce n SER 30 Cb 0.43 -1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 61.92 1jce n SER 30 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jce s VAL 31 N 2.09 1.01 -0.01 0.44 1.01 -1.26 -4.38 120.40 119.29 1jce s VAL 31 Ca 0.56 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1jce s VAL 31 Cb 0.15 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1jce s VAL 31 CO -0.07 0.10 -0.03 -0.51 0.00 0.00 0.00 175.10 174.59 1jce s ILE 32 N -0.63 0.30 -0.08 2.22 2.07 -0.24 -1.22 121.20 123.61 1jce s ILE 32 Ca 0.02 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.20 1jce s ILE 32 Cb -0.07 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 1jce s ILE 32 CO 0.00 0.12 -0.17 0.00 -1.91 0.00 0.00 174.94 172.99 1jce s ALA 33 N 0.33 2.51 0.21 1.50 0.00 0.20 0.13 121.76 126.64 1jce s ALA 33 Ca -0.03 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1jce s ALA 33 Cb -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1jce s ALA 33 CO -0.01 0.41 -0.05 0.96 0.00 0.00 0.00 175.76 177.07 1jce s ILE 34 N -0.18 1.18 -0.16 0.00 -4.36 -0.51 0.00 121.20 117.17 1jce s ILE 34 Ca -0.01 -2.06 -0.29 0.00 -0.26 0.00 0.00 60.65 58.02 1jce s ILE 34 Cb -0.13 -2.19 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 1jce s ILE 34 CO 0.03 -0.46 1.32 -0.62 0.24 0.00 0.00 174.94 175.45 1jce s ASP 35 N -3.28 6.88 0.33 4.36 2.15 0.01 -1.60 116.67 125.53 1jce s ASP 35 Ca 0.25 1.73 0.21 0.00 0.43 0.00 0.00 52.55 55.17 1jce s ASP 35 Cb 0.04 -2.54 1.17 0.00 -0.30 0.00 0.00 42.92 41.29 1jce s ASP 35 CO 0.06 -0.81 1.65 -1.54 -0.17 0.00 0.00 175.17 174.36 1jce n SER 36 N 6.78 0.56 -0.12 -0.34 3.41 -0.67 -0.79 113.62 122.45 1jce n SER 36 Ca 0.14 0.75 -0.25 0.00 -0.26 0.00 0.00 58.87 59.26 1jce n SER 36 Cb 0.45 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.50 1jce n SER 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jce n THR 37 N -2.26 1.27 0.25 6.66 -1.04 -1.26 -4.70 114.28 113.20 1jce n THR 37 Ca -0.01 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.79 1jce n THR 37 Cb 0.07 -1.81 0.12 0.00 -1.82 0.00 0.00 70.33 66.88 1jce n THR 37 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1jce h THR 38 N -0.83 0.00 0.00 12.58 1.35 -1.95 -3.47 112.91 120.59 1jce h THR 38 Ca -0.59 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1jce h THR 38 Cb 1.52 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1jce h THR 38 CO -0.36 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.52 1jce n GLY 39 N 1.18 1.55 3.73 5.82 0.00 0.03 -4.99 105.19 112.51 1jce n GLY 39 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1jce n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jce s GLU 40 N -0.12 4.19 0.10 1.61 2.12 -1.26 -4.60 118.70 120.75 1jce s GLU 40 Ca 0.00 2.43 -0.31 0.00 0.36 0.00 0.00 54.97 57.45 1jce s GLU 40 Cb 0.00 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 1jce s GLU 40 CO 0.00 -0.61 1.42 0.42 -0.54 0.00 0.00 175.26 175.95 1jce s ILE 41 N 0.78 3.32 -0.23 -3.70 1.01 -1.26 -0.81 121.20 120.30 1jce s ILE 41 Ca 0.68 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 1jce s ILE 41 Cb -0.45 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1jce s ILE 41 CO 0.36 0.06 -0.30 0.18 0.00 0.00 0.00 174.94 175.23 1jce n LEU 42 N 4.27 1.94 -3.86 2.97 4.77 0.10 -4.92 117.00 122.26 1jce n LEU 42 Ca 0.12 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1jce n LEU 42 Cb 0.42 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1jce n LEU 42 CO 0.59 0.21 -0.12 -0.54 -1.33 0.00 0.00 177.39 176.20 1jce s LYS 43 N -2.62 0.64 -0.01 3.23 3.01 -1.13 -5.01 119.74 117.84 1jce s LYS 43 Ca -0.34 -0.59 0.01 0.00 -1.01 0.00 0.00 55.97 54.04 1jce s LYS 43 Cb 0.10 0.26 0.01 0.00 -1.01 0.00 0.00 37.83 37.19 1jce s LYS 43 CO 0.46 -0.18 -0.03 0.08 0.51 0.00 0.00 175.35 176.20 1jce s VAL 44 N -2.32 0.32 0.00 3.17 1.01 -1.26 -0.63 120.40 120.68 1jce s VAL 44 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1jce s VAL 44 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1jce s VAL 44 CO -0.03 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1jce n GLY 45 N 3.41 0.26 0.13 4.51 0.00 -0.36 -4.61 105.19 108.54 1jce n GLY 45 Ca -0.18 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 1jce n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jce h LEU 46 N 0.00 -0.17 -2.11 0.99 6.46 -1.89 -0.67 115.31 117.91 1jce h LEU 46 Ca 0.00 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 1jce h LEU 46 Cb 0.00 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1jce h LEU 46 CO 0.00 -0.05 0.15 -0.33 -0.62 0.00 0.00 178.44 177.59 1jce h GLU 47 N 0.04 0.00 0.07 1.25 5.08 -1.97 0.67 114.58 119.72 1jce h GLU 47 Ca 0.13 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1jce h GLU 47 Cb 0.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jce h GLU 47 CO -0.24 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.05 1jce h ALA 48 N 1.87 -0.01 -0.97 3.43 0.00 -1.53 -3.26 119.26 118.79 1jce h ALA 48 Ca 0.09 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1jce h ALA 48 Cb 0.39 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1jce h ALA 48 CO -0.00 0.37 0.63 -0.22 0.00 0.00 0.00 179.25 180.03 1jce h LYS 49 N -0.23 1.13 -2.05 0.00 3.64 0.10 -3.21 116.57 115.95 1jce h LYS 49 Ca -0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1jce h LYS 49 Cb 1.48 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1jce h LYS 49 CO 0.14 0.75 0.03 0.09 -2.27 0.00 0.00 179.45 178.18 1jce n ASN 50 N -4.47 0.36 -1.85 4.20 5.03 0.11 -4.89 115.26 113.74 1jce n ASN 50 Ca 0.14 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.47 1jce n ASN 50 Cb 0.15 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1jce n ASN 50 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1jce n ILE 52 N 2.03 -5.38 -0.98 2.41 5.41 -1.21 -4.86 119.36 116.78 1jce n ILE 52 Ca 0.00 2.11 0.00 0.00 1.00 0.00 0.00 62.75 65.86 1jce n ILE 52 Cb 0.04 -2.88 0.00 0.00 -0.71 0.00 0.00 39.64 36.08 1jce n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jce n GLY 53 N 0.78 0.42 0.31 7.39 0.00 -1.26 -4.83 105.19 107.99 1jce n GLY 53 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1jce n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jce n LYS 54 N -1.92 0.37 -3.29 1.61 5.02 -1.26 -5.11 118.16 113.58 1jce n LYS 54 Ca 0.00 -1.19 -0.35 0.00 -2.02 0.00 0.00 58.31 54.75 1jce n LYS 54 Cb 0.12 -0.69 -0.06 0.00 -0.02 0.00 0.00 35.03 34.38 1jce n LYS 54 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jce s THR 55 N -0.53 4.78 0.85 -0.18 -4.23 -1.26 -5.09 115.64 109.98 1jce s THR 55 Ca 0.05 0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 61.34 1jce s THR 55 Cb 0.05 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.26 1jce s THR 55 CO 0.00 0.16 1.20 -2.84 -0.54 0.00 0.00 174.62 172.61 1jce s PRO 56 N -2.14 1.55 0.61 3.99 0.02 -1.26 -4.93 135.00 132.83 1jce s PRO 56 Ca 0.41 -0.13 0.38 0.00 0.02 0.00 0.00 61.00 61.68 1jce s PRO 56 Cb -0.15 -1.95 1.96 0.00 0.02 0.00 0.00 34.50 34.38 1jce s PRO 56 CO 0.20 -1.82 2.22 0.00 -0.33 0.00 0.00 177.00 177.26 1jce h ALA 57 N -1.19 1.10 0.00 -1.55 0.00 -2.04 -2.43 119.26 113.16 1jce h ALA 57 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jce h ALA 57 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jce h ALA 57 CO 0.56 0.03 0.00 0.25 0.00 0.00 0.00 179.25 180.08 1jce n THR 58 N -3.26 0.26 -4.44 0.00 -2.24 -1.26 -4.72 114.28 98.62 1jce n THR 58 Ca -0.02 0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1jce n THR 58 Cb 0.16 -0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 67.60 1jce n THR 58 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jce s ILE 59 N -2.79 0.93 -0.14 2.28 1.01 -0.91 -1.67 121.20 119.90 1jce s ILE 59 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1jce s ILE 59 Cb 0.16 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1jce s ILE 59 CO 0.42 0.17 -0.11 -0.75 0.00 0.00 0.00 174.94 174.67 1jce s LYS 60 N -0.52 1.92 -0.21 2.79 2.20 -0.63 -4.52 119.74 120.78 1jce s LYS 60 Ca 0.03 -0.46 -0.13 0.00 -0.36 0.00 0.00 55.97 55.04 1jce s LYS 60 Cb -0.05 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 1jce s LYS 60 CO -0.00 -0.28 0.28 0.00 -0.36 0.00 0.00 175.35 174.99 1jce s ALA 61 N 1.57 3.59 -0.00 3.13 0.00 -1.26 -1.43 121.76 127.36 1jce s ALA 61 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1jce s ALA 61 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1jce s ALA 61 CO -0.09 -0.21 -0.19 0.42 0.00 0.00 0.00 175.76 175.69 1jce s ILE 62 N 1.10 1.53 -0.58 0.00 1.01 0.12 -4.96 121.20 119.43 1jce s ILE 62 Ca 0.14 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1jce s ILE 62 Cb -0.14 -1.29 0.15 0.00 0.01 0.00 0.00 42.46 41.19 1jce s ILE 62 CO 0.06 0.36 0.37 -0.13 0.00 0.00 0.00 174.94 175.60 1jce s ARG 63 N -0.63 2.34 -0.08 2.79 0.52 -1.26 -1.08 118.95 121.54 1jce s ARG 63 Ca 0.07 -2.51 -0.03 0.00 -0.52 0.00 0.00 55.73 52.75 1jce s ARG 63 Cb -0.08 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.70 1jce s ARG 63 CO -0.00 -1.14 1.81 -0.35 0.02 0.00 0.00 175.30 175.63 1jce n PRO 64 N 3.45 0.92 0.00 3.54 -0.04 -1.26 -4.92 135.00 136.69 1jce n PRO 64 Ca 0.06 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1jce n PRO 64 Cb 0.36 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1jce n PRO 64 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1jce n ARG 66 N 2.99 0.00 -3.02 0.54 0.63 -0.01 -0.93 116.66 116.85 1jce n ARG 66 Ca 0.20 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.91 1jce n ARG 66 Cb 0.35 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.28 1jce n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1jce n ASP 67 N 0.00 -5.36 0.00 6.15 10.43 -1.26 -1.35 116.55 125.16 1jce n ASP 67 Ca 0.00 -0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.10 1jce n ASP 67 Cb 0.00 -4.37 0.00 0.00 1.84 0.00 0.00 41.12 38.59 1jce n ASP 67 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jce n GLY 68 N -1.35 1.50 3.51 0.44 0.00 -1.26 -4.74 105.19 103.28 1jce n GLY 68 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1jce n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jce s VAL 69 N -3.41 0.66 -0.03 1.61 -7.23 -0.46 -4.52 120.40 107.03 1jce s VAL 69 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1jce s VAL 69 Cb 0.00 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1jce s VAL 69 CO 0.00 0.00 1.24 -0.63 -0.31 0.00 0.00 175.10 175.40 1jce s ILE 70 N -3.23 4.12 -0.02 -0.62 1.01 -1.26 -0.83 121.20 120.37 1jce s ILE 70 Ca 0.25 1.47 0.09 0.00 0.00 0.00 0.00 60.65 62.46 1jce s ILE 70 Cb 0.03 -3.95 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1jce s ILE 70 CO 0.14 0.01 0.17 0.00 0.00 0.00 0.00 174.94 175.27 1jce n ALA 71 N 5.07 2.25 -3.52 9.38 0.00 -0.11 -4.83 120.51 128.75 1jce n ALA 71 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 1jce n ALA 71 Cb 0.46 -0.25 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 1jce n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jce s ASP 72 N -3.23 3.16 0.08 0.00 3.68 -1.10 -5.06 116.67 114.20 1jce s ASP 72 Ca -0.04 -2.24 -0.22 0.00 2.13 0.00 0.00 52.55 52.19 1jce s ASP 72 Cb 0.05 -0.54 -0.08 0.00 -1.45 0.00 0.00 42.92 40.90 1jce s ASP 72 CO 0.38 -0.31 1.35 0.22 0.13 0.00 0.00 175.17 176.94 1jce h TYR 73 N 7.03 -1.04 -0.87 -5.34 3.20 -1.88 -0.90 116.97 117.18 1jce h TYR 73 Ca 0.03 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1jce h TYR 73 Cb 0.96 0.47 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 1jce h TYR 73 CO 0.44 -0.35 0.57 1.15 -1.64 0.00 0.00 178.16 178.33 1jce h THR 74 N -0.37 1.17 -0.28 1.81 2.02 -1.99 0.16 112.91 115.43 1jce h THR 74 Ca 0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1jce h THR 74 Cb 0.43 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1jce h THR 74 CO -0.29 0.21 0.09 0.58 0.37 0.00 0.00 175.52 176.48 1jce h VAL 75 N 1.12 1.20 -0.98 3.16 2.07 -1.98 -1.59 116.25 119.26 1jce h VAL 75 Ca 0.33 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1jce h VAL 75 Cb -0.05 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1jce h VAL 75 CO -0.10 0.21 0.65 0.00 0.02 0.00 0.00 177.57 178.36 1jce h ALA 76 N 0.92 1.32 0.31 1.67 0.00 -0.69 -2.83 119.26 119.98 1jce h ALA 76 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jce h ALA 76 Cb 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1jce h ALA 76 CO -0.00 0.61 -0.21 1.25 0.00 0.00 0.00 179.25 180.90 1jce h LEU 77 N 1.30 -0.52 -2.28 0.00 6.46 -0.24 0.24 115.31 120.27 1jce h LEU 77 Ca 0.37 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1jce h LEU 77 Cb -0.09 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1jce h LEU 77 CO -0.10 -0.33 0.00 1.33 -0.62 0.00 0.00 178.44 178.73 1jce n VAL 78 N -5.33 0.30 0.00 1.05 0.24 -0.64 -1.60 118.33 112.35 1jce n VAL 78 Ca -0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1jce n VAL 78 Cb 0.24 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1jce n VAL 78 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1jce n LEU 80 N 1.03 0.00 -0.25 1.34 7.94 0.07 -1.50 117.00 125.63 1jce n LEU 80 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 1jce n LEU 80 Cb 0.13 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.13 1jce n LEU 80 CO 0.00 0.00 1.07 -0.09 -1.11 0.00 0.00 177.39 177.26 1jce h ARG 81 N 0.00 0.98 -0.46 1.96 2.43 -1.52 -0.59 114.38 117.17 1jce h ARG 81 Ca 0.00 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1jce h ARG 81 Cb 0.00 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1jce h ARG 81 CO 0.00 0.76 0.22 -0.92 -1.51 0.00 0.00 179.97 178.53 1jce h TYR 82 N 0.95 0.41 -0.50 2.20 3.20 -1.54 0.61 116.97 122.31 1jce h TYR 82 Ca 0.24 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 1jce h TYR 82 Cb 0.10 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1jce h TYR 82 CO 0.00 0.20 -0.04 0.74 -1.64 0.00 0.00 178.16 177.43 1jce h PHE 83 N 0.45 0.99 -0.34 -3.82 0.05 -1.75 -0.40 116.94 112.12 1jce h PHE 83 Ca 0.20 -0.19 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1jce h PHE 83 Cb 0.12 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 1jce h PHE 83 CO -0.11 0.94 0.07 0.82 -0.18 0.00 0.00 178.31 179.85 1jce h ILE 84 N 0.76 1.23 -0.37 -0.55 2.04 -0.84 0.11 117.51 119.88 1jce h ILE 84 Ca 0.14 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1jce h ILE 84 Cb 0.57 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1jce h ILE 84 CO 0.03 0.26 0.11 0.78 0.00 0.00 0.00 178.15 179.33 1jce h ASN 85 N 0.40 0.08 -0.66 1.72 -0.26 -0.75 -0.30 115.58 115.80 1jce h ASN 85 Ca 0.11 0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1jce h ASN 85 Cb 0.32 0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.60 1jce h ASN 85 CO 0.00 0.08 0.26 0.50 -1.06 0.00 0.00 177.43 177.22 1jce h LYS 86 N 0.25 1.02 -0.66 0.81 3.64 -0.78 -0.80 116.57 120.06 1jce h LYS 86 Ca 0.17 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1jce h LYS 86 Cb 0.18 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1jce h LYS 86 CO -0.20 0.84 0.19 0.00 -2.27 0.00 0.00 179.45 178.01 1jce h ALA 87 N 1.29 1.10 0.00 5.00 0.00 0.12 -1.34 119.26 125.43 1jce h ALA 87 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jce h ALA 87 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jce h ALA 87 CO -0.02 0.61 0.00 0.87 0.00 0.00 0.00 179.25 180.71 1jce h LYS 88 N 0.97 0.00 -2.17 0.00 1.57 -0.68 -3.47 116.57 112.79 1jce h LYS 88 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jce h LYS 88 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jce h LYS 88 CO -0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 1jce n GLY 89 N 0.37 0.85 0.60 3.86 0.00 -0.51 -5.07 105.19 105.28 1jce n GLY 89 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1jce n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jce n GLY 90 N -1.09 0.95 0.00 -0.02 0.00 -0.38 -5.01 105.19 99.65 1jce n GLY 90 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1jce n GLY 90 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jce n ASN 92 N 0.57 0.00 -1.54 1.61 0.23 -1.26 -4.79 115.26 110.08 1jce n ASN 92 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 1jce n ASN 92 Cb 0.00 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.04 1jce n ASN 92 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1jce n LEU 93 N 0.00 4.56 -4.60 -4.53 4.77 -1.26 -4.90 117.00 111.03 1jce n LEU 93 Ca 0.00 -2.30 -0.40 0.00 -0.03 0.00 0.00 56.01 53.29 1jce n LEU 93 Cb 0.00 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.44 1jce n LEU 93 CO 0.00 0.79 0.12 -0.36 -1.33 0.00 0.00 177.39 176.61 1jce s PHE 94 N -1.79 3.24 -0.54 -1.77 0.08 -1.26 -5.04 117.98 110.91 1jce s PHE 94 Ca 0.49 0.42 -0.17 0.00 0.12 0.00 0.00 56.93 57.80 1jce s PHE 94 Cb 0.31 -2.64 0.10 0.00 -0.57 0.00 0.00 43.02 40.22 1jce s PHE 94 CO 0.24 -0.28 0.54 0.15 -0.10 0.00 0.00 175.22 175.78 1jce s LYS 95 N 2.16 3.01 0.75 0.44 1.02 -1.26 -5.02 119.74 120.83 1jce s LYS 95 Ca 0.17 -1.46 -0.11 0.00 0.02 0.00 0.00 55.97 54.59 1jce s LYS 95 Cb -0.16 -4.24 0.04 0.00 -0.52 0.00 0.00 37.83 32.95 1jce s LYS 95 CO 0.10 -1.32 1.08 -1.25 -0.92 0.00 0.00 175.35 173.04 1jce s PRO 96 N 1.99 2.47 0.12 -1.68 0.04 -1.26 -3.80 135.00 132.89 1jce s PRO 96 Ca 0.07 0.99 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1jce s PRO 96 Cb -0.26 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1jce s PRO 96 CO 0.05 -1.44 0.76 0.50 0.04 0.00 0.00 177.00 176.91 1jce s ARG 97 N -5.00 4.52 -0.01 4.56 3.52 -1.12 -1.98 118.95 123.43 1jce s ARG 97 Ca 0.60 1.10 0.04 0.00 -0.13 0.00 0.00 55.73 57.34 1jce s ARG 97 Cb -0.15 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1jce s ARG 97 CO 0.55 0.49 -0.14 0.08 -0.81 0.00 0.00 175.30 175.47 1jce s VAL 98 N -0.80 1.10 -0.15 7.11 1.01 0.24 -2.29 120.40 126.63 1jce s VAL 98 Ca 0.36 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1jce s VAL 98 Cb -0.22 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1jce s VAL 98 CO 0.25 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.76 1jce s VAL 99 N -0.28 2.02 -0.10 2.92 1.01 -1.04 -0.31 120.40 124.63 1jce s VAL 99 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1jce s VAL 99 Cb -0.06 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1jce s VAL 99 CO -0.00 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 1jce s ILE 100 N 0.98 2.69 0.49 2.22 1.01 0.10 -0.67 121.20 128.01 1jce s ILE 100 Ca -0.03 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.60 1jce s ILE 100 Cb -0.15 -2.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 1jce s ILE 100 CO -0.05 0.55 1.08 -0.83 0.00 0.00 0.00 174.94 175.68 1jce s GLY 101 N 0.16 2.61 0.02 6.18 0.00 -0.82 -1.60 107.32 113.88 1jce s GLY 101 Ca -0.10 0.73 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1jce s GLY 101 CO 0.06 1.09 0.26 -1.34 0.00 0.00 0.00 173.10 173.16 1jce s VAL 102 N -1.82 0.08 0.64 1.40 -7.23 -0.35 -4.72 120.40 108.42 1jce s VAL 102 Ca 0.67 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 60.00 1jce s VAL 102 Cb -0.21 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1jce s VAL 102 CO 0.25 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.58 1jce s PRO 103 N -2.15 2.96 0.21 4.82 0.04 -1.26 -0.40 135.00 139.22 1jce s PRO 103 Ca -0.08 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 1jce s PRO 103 Cb -0.03 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1jce s PRO 103 CO -0.01 -1.10 1.54 0.82 0.04 0.00 0.00 177.00 178.29 1jce h ILE 104 N 0.05 1.32 0.00 0.56 2.04 -1.96 -3.09 117.51 116.43 1jce h ILE 104 Ca -0.46 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1jce h ILE 104 Cb 1.23 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1jce h ILE 104 CO 0.55 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.85 1jce n GLY 105 N 0.15 0.30 3.76 5.37 0.00 -1.26 -4.87 105.19 108.64 1jce n GLY 105 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1jce n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jce s ILE 106 N -1.45 2.70 0.62 -0.61 2.07 -1.17 -5.03 121.20 118.34 1jce s ILE 106 Ca 0.00 0.52 -0.04 0.00 -1.41 0.00 0.00 60.65 59.73 1jce s ILE 106 Cb 0.00 -3.27 0.04 0.00 0.13 0.00 0.00 42.46 39.37 1jce s ILE 106 CO 0.00 -0.01 0.90 0.42 -1.91 0.00 0.00 174.94 174.34 1jce s THR 107 N -1.45 2.70 0.24 4.00 -4.23 -1.26 -4.91 115.64 110.73 1jce s THR 107 Ca 0.67 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1jce s THR 107 Cb -0.33 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.54 1jce s THR 107 CO 0.40 -0.09 1.77 -2.24 -0.54 0.00 0.00 174.62 173.92 1jce h ASP 108 N -0.27 0.89 0.39 3.99 2.03 -1.98 0.41 116.42 121.89 1jce h ASP 108 Ca -0.44 -0.19 -0.02 0.00 -0.73 0.00 0.00 57.03 55.66 1jce h ASP 108 Cb 1.30 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1jce h ASP 108 CO 0.58 0.89 -0.19 0.58 -1.03 0.00 0.00 179.24 180.06 1jce h VAL 109 N 0.90 0.58 -0.90 4.15 2.07 -1.99 0.37 116.25 121.43 1jce h VAL 109 Ca 0.19 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.43 1jce h VAL 109 Cb 0.37 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1jce h VAL 109 CO 0.01 0.07 0.58 -0.33 0.02 0.00 0.00 177.57 177.92 1jce h GLU 110 N -0.78 0.71 -0.73 1.57 5.08 -1.93 0.15 114.58 118.66 1jce h GLU 110 Ca -0.05 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1jce h GLU 110 Cb 0.53 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1jce h GLU 110 CO 0.09 0.47 0.20 -0.09 -1.00 0.00 0.00 179.01 178.67 1jce h ARG 111 N 0.73 1.15 -0.25 2.33 2.43 -0.62 -2.64 114.38 117.51 1jce h ARG 111 Ca 0.45 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1jce h ARG 111 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1jce h ARG 111 CO -0.21 1.00 -0.35 -0.09 -1.51 0.00 0.00 179.97 178.80 1jce h ARG 112 N 1.09 0.55 -0.40 0.20 9.65 0.15 -2.86 114.38 122.76 1jce h ARG 112 Ca 0.23 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1jce h ARG 112 Cb 0.35 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1jce h ARG 112 CO -0.00 0.83 0.19 0.00 2.80 0.00 0.00 179.97 183.78 1jce h ALA 113 N 1.15 0.52 -0.34 2.80 0.00 -0.88 -0.87 119.26 121.64 1jce h ALA 113 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1jce h ALA 113 Cb 0.83 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1jce h ALA 113 CO 0.07 0.08 -0.11 0.82 0.00 0.00 0.00 179.25 180.11 1jce h ILE 114 N 0.51 1.24 -0.32 0.00 2.04 -1.42 0.82 117.51 120.37 1jce h ILE 114 Ca 0.14 -1.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 1jce h ILE 114 Cb 0.12 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jce h ILE 114 CO -0.02 0.35 -0.30 -0.07 0.00 0.00 0.00 178.15 178.11 1jce h LEU 115 N 0.54 0.82 -0.16 1.44 3.38 -1.33 -1.05 115.31 118.95 1jce h LEU 115 Ca 0.10 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1jce h LEU 115 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jce h LEU 115 CO 0.03 1.12 0.06 0.44 0.09 0.00 0.00 178.44 180.18 1jce h ASP 116 N 0.54 0.22 -0.59 -0.43 3.32 -0.83 -2.34 116.42 116.31 1jce h ASP 116 Ca 0.05 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.00 1jce h ASP 116 Cb 0.87 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1jce h ASP 116 CO 0.08 0.32 0.30 0.00 -1.72 0.00 0.00 179.24 178.22 1jce h ALA 117 N 0.91 0.77 -0.77 3.45 0.00 -0.79 0.23 119.26 123.06 1jce h ALA 117 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1jce h ALA 117 Cb 0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1jce h ALA 117 CO -0.00 -0.05 0.47 0.78 0.00 0.00 0.00 179.25 180.44 1jce h GLY 118 N 0.56 1.14 0.69 0.00 0.00 -1.00 0.34 103.07 104.81 1jce h GLY 118 Ca 0.27 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1jce h GLY 118 CO -0.19 0.24 -0.17 1.41 0.00 0.00 0.00 176.54 177.83 1jce h LEU 119 N 0.86 0.34 -1.47 3.11 3.38 -0.80 -1.86 115.31 118.87 1jce h LEU 119 Ca 0.33 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1jce h LEU 119 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jce h LEU 119 CO -0.16 0.81 -0.03 -0.33 0.09 0.00 0.00 178.44 178.82 1jce h GLU 120 N -0.12 0.31 0.00 1.13 5.08 -0.24 -2.09 114.58 118.65 1jce h GLU 120 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jce h GLU 120 Cb 0.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1jce h GLU 120 CO 0.04 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1jce n ALA 121 N -2.49 1.90 0.00 3.43 0.00 0.12 -4.87 120.51 118.60 1jce n ALA 121 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jce n ALA 121 Cb 0.21 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1jce n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jce n GLY 122 N 0.48 1.77 3.83 0.00 0.00 -0.79 -4.49 105.19 105.99 1jce n GLY 122 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1jce n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jce s ALA 123 N -2.00 3.76 0.25 4.61 0.00 -0.71 -4.12 121.76 123.56 1jce s ALA 123 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.58 1jce s ALA 123 Cb 0.00 -2.19 0.29 0.00 0.00 0.00 0.00 23.12 21.22 1jce s ALA 123 CO 0.00 0.46 1.57 0.66 0.00 0.00 0.00 175.76 178.46 1jce h SER 124 N 5.25 0.06 -3.92 0.00 4.64 -1.49 -3.41 113.55 114.68 1jce h SER 124 Ca -0.51 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.70 1jce h SER 124 Cb 1.21 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 1jce h SER 124 CO 0.63 0.69 -0.04 -0.75 -0.87 0.00 0.00 176.83 176.49 1jce s LYS 125 N -3.56 0.68 0.04 4.77 2.20 -1.26 -4.69 119.74 117.92 1jce s LYS 125 Ca -0.02 0.82 0.09 0.00 -0.36 0.00 0.00 55.97 56.50 1jce s LYS 125 Cb 0.12 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1jce s LYS 125 CO 0.77 -0.08 -0.25 0.08 -0.36 0.00 0.00 175.35 175.51 1jce s VAL 126 N 0.35 2.03 0.02 4.02 1.01 -0.88 -0.59 120.40 126.37 1jce s VAL 126 Ca -0.00 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.70 1jce s VAL 126 Cb -0.04 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1jce s VAL 126 CO 0.00 0.35 -0.14 -0.36 0.00 0.00 0.00 175.10 174.95 1jce s PHE 127 N -0.78 1.25 -0.12 5.22 0.40 0.58 -1.52 117.98 122.99 1jce s PHE 127 Ca 0.11 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1jce s PHE 127 Cb -0.10 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 1jce s PHE 127 CO 0.02 0.02 -0.09 -0.51 0.70 0.00 0.00 175.22 175.36 1jce s LEU 128 N -0.90 2.96 -0.04 -0.37 1.43 -0.63 0.02 118.68 121.15 1jce s LEU 128 Ca 0.03 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1jce s LEU 128 Cb -0.07 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1jce s LEU 128 CO 0.01 0.21 -0.17 -0.51 0.23 0.00 0.00 176.35 176.12 1jce s ILE 129 N 0.12 1.40 0.35 -0.59 2.07 -0.62 -4.17 121.20 119.75 1jce s ILE 129 Ca -0.04 -0.70 -0.29 0.00 -1.41 0.00 0.00 60.65 58.21 1jce s ILE 129 Cb -0.14 -1.20 -0.11 0.00 0.13 0.00 0.00 42.46 41.14 1jce s ILE 129 CO 0.04 0.40 1.52 -1.61 -1.91 0.00 0.00 174.94 173.38 1jce s GLU 130 N -0.00 4.11 0.08 3.50 8.01 -1.26 -1.21 118.70 131.94 1jce s GLU 130 Ca -0.03 2.57 -0.20 0.00 0.01 0.00 0.00 54.97 57.33 1jce s GLU 130 Cb -0.11 -2.98 -0.06 0.00 -4.31 0.00 0.00 34.13 26.66 1jce s GLU 130 CO 0.02 -0.56 1.34 0.93 0.01 0.00 0.00 175.26 177.00 1jce h GLU 131 N 3.50 -0.20 -1.87 1.61 4.39 -1.05 -1.91 114.58 119.05 1jce h GLU 131 Ca -0.50 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1jce h GLU 131 Cb 1.23 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1jce h GLU 131 CO 0.68 -0.13 0.00 -0.35 -1.16 0.00 0.00 179.01 178.05 1jce n PRO 132 N -4.36 0.00 0.00 2.33 -0.04 -1.26 -1.24 135.00 130.43 1jce n PRO 132 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jce n PRO 132 Cb 0.20 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1jce n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jce n ALA 134 N 1.08 0.00 -0.14 0.55 0.00 -0.72 -1.06 120.51 120.23 1jce n ALA 134 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1jce n ALA 134 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1jce n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jce h ALA 135 N 0.00 1.16 -0.20 0.00 0.00 -1.37 0.80 119.26 119.66 1jce h ALA 135 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1jce h ALA 135 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jce h ALA 135 CO 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 1jce h ALA 136 N 1.30 0.27 -0.54 0.00 0.00 -1.36 -2.14 119.26 116.79 1jce h ALA 136 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1jce h ALA 136 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jce h ALA 136 CO 0.00 0.06 0.20 0.82 0.00 0.00 0.00 179.25 180.33 1jce h ILE 137 N 0.10 1.23 0.00 0.00 2.04 -1.79 -1.59 117.51 117.50 1jce h ILE 137 Ca 0.05 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1jce h ILE 137 Cb 0.50 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1jce h ILE 137 CO 0.02 0.27 0.00 1.23 0.00 0.00 0.00 178.15 179.67 1jce h GLY 138 N 0.74 0.00 -1.83 5.37 0.00 -0.75 -1.50 103.07 105.10 1jce h GLY 138 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1jce h GLY 138 CO -0.01 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.97 1jce n SER 139 N -2.88 3.65 -3.67 0.19 7.64 -0.82 -4.79 113.62 112.95 1jce n SER 139 Ca -0.01 -2.38 -0.25 0.00 1.01 0.00 0.00 58.87 57.24 1jce n SER 139 Cb 0.16 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1jce n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jce n ASN 140 N 0.43 -3.37 -1.25 6.43 4.13 -0.56 -4.93 115.26 116.15 1jce n ASN 140 Ca 0.18 -0.91 0.07 0.00 1.68 0.00 0.00 54.58 55.60 1jce n ASN 140 Cb 0.67 -3.81 0.26 0.00 -1.54 0.00 0.00 39.78 35.36 1jce n ASN 140 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jce n LEU 141 N -4.12 3.64 -3.70 3.41 4.77 -0.65 -4.96 117.00 115.39 1jce n LEU 141 Ca -0.19 -1.83 -0.30 0.00 -0.03 0.00 0.00 56.01 53.65 1jce n LEU 141 Cb 0.64 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1jce n LEU 141 CO 0.68 0.62 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.81 1jce n ASN 142 N 0.76 -4.58 0.22 -1.43 0.23 -1.26 -4.86 115.26 104.33 1jce n ASN 142 Ca 0.19 -1.00 0.15 0.00 -0.53 0.00 0.00 54.58 53.39 1jce n ASN 142 Cb 0.69 -3.42 0.72 0.00 -2.08 0.00 0.00 39.78 35.69 1jce n ASN 142 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1jce h VAL 143 N -1.87 0.00 -0.00 3.53 -1.51 -1.93 -2.77 116.25 111.70 1jce h VAL 143 Ca -0.66 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1jce h VAL 143 Cb 1.36 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1jce h VAL 143 CO 0.50 0.00 -0.10 -0.62 -1.23 0.00 0.00 177.57 176.12 1jce n GLU 144 N -2.64 0.02 -2.78 5.19 1.02 -1.26 0.70 120.64 120.89 1jce n GLU 144 Ca -0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1jce n GLU 144 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1jce n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jce s GLU 145 N -2.99 3.84 -1.45 3.49 2.02 -1.05 -4.06 118.70 118.51 1jce s GLU 145 Ca 0.14 0.60 -0.11 0.00 0.02 0.00 0.00 54.97 55.61 1jce s GLU 145 Cb 0.19 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 32.13 1jce s GLU 145 CO 0.56 -0.07 2.32 -0.35 0.02 0.00 0.00 175.26 177.75 1jce n PRO 146 N -1.27 3.35 -3.97 0.39 -0.04 -1.26 -1.57 135.00 130.63 1jce n PRO 146 Ca 0.03 -2.79 -0.22 0.00 -0.04 0.00 0.00 63.50 60.48 1jce n PRO 146 Cb 0.54 -3.05 -0.17 0.00 -0.04 0.00 0.00 33.50 30.78 1jce n PRO 146 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jce s SER 147 N 2.22 1.36 -0.21 3.54 0.15 -1.26 -4.98 113.70 114.52 1jce s SER 147 Ca 0.51 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.73 1jce s SER 147 Cb 0.14 -0.49 -0.07 0.00 -1.71 0.00 0.00 66.02 63.89 1jce s SER 147 CO -0.06 -0.12 2.17 0.61 1.20 0.00 0.00 173.24 177.03 1jce n GLY 148 N 4.62 1.04 3.49 9.45 0.00 -1.26 -4.51 105.19 118.02 1jce n GLY 148 Ca -0.16 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 1jce n GLY 148 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jce n ASN 149 N 10.52 2.72 0.00 1.61 4.05 -0.71 -4.12 115.26 129.32 1jce n ASN 149 Ca 0.31 -3.18 0.00 0.00 0.45 0.00 0.00 54.58 52.16 1jce n ASN 149 Cb 0.39 0.56 0.00 0.00 1.23 0.00 0.00 39.78 41.96 1jce n ASN 149 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1jce n VAL 151 N -1.14 0.00 -3.97 3.44 0.31 0.58 -0.34 118.33 117.21 1jce n VAL 151 Ca -0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.84 1jce n VAL 151 Cb 0.62 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.41 1jce n VAL 151 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jce s VAL 152 N -0.43 2.58 -0.25 2.52 1.01 0.54 -1.08 120.40 125.30 1jce s VAL 152 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 61.98 60.18 1jce s VAL 152 Cb 0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1jce s VAL 152 CO 0.00 -0.25 0.02 -0.62 0.00 0.00 0.00 175.10 174.25 1jce s ASP 153 N 1.19 4.72 -0.26 3.32 2.15 0.40 -0.85 116.67 127.35 1jce s ASP 153 Ca -0.02 -0.45 -0.00 0.00 0.43 0.00 0.00 52.55 52.52 1jce s ASP 153 Cb -0.20 -1.82 0.04 0.00 -0.30 0.00 0.00 42.92 40.64 1jce s ASP 153 CO -0.04 -0.07 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.19 1jce s ILE 154 N 1.51 2.62 0.00 4.11 1.01 -0.30 -0.34 121.20 129.81 1jce s ILE 154 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1jce s ILE 154 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1jce s ILE 154 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1jce n GLY 155 N 4.58 2.72 0.08 6.18 0.00 -0.48 -0.30 105.19 117.96 1jce n GLY 155 Ca -0.15 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1jce n GLY 155 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jce h GLY 156 N 0.00 0.03 0.00 -0.02 0.00 -1.95 -1.51 103.07 99.62 1jce h GLY 156 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1jce h GLY 156 CO 0.00 0.06 -1.68 0.61 0.00 0.00 0.00 176.54 175.53 1jce n GLY 157 N 1.49 -0.58 3.04 4.60 0.00 -1.26 -0.13 105.19 112.35 1jce n GLY 157 Ca -0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1jce n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jce s THR 158 N -2.64 0.13 -0.23 2.61 2.01 -1.26 -4.07 115.64 112.20 1jce s THR 158 Ca -0.05 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 1jce s THR 158 Cb 0.06 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1jce s THR 158 CO 0.51 -0.61 -0.05 -0.89 -0.69 0.00 0.00 174.62 172.89 1jce s THR 159 N -2.19 3.19 -0.12 -0.82 2.01 -0.33 -1.38 115.64 116.00 1jce s THR 159 Ca -0.09 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1jce s THR 159 Cb -0.04 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1jce s THR 159 CO -0.03 0.38 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.51 1jce s GLU 160 N 1.44 3.23 -0.16 4.92 0.41 0.54 -1.86 118.70 127.21 1jce s GLU 160 Ca 0.05 -0.73 0.01 0.00 -0.41 0.00 0.00 54.97 53.89 1jce s GLU 160 Cb -0.15 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.69 1jce s GLU 160 CO -0.04 0.25 -0.18 0.08 -0.49 0.00 0.00 175.26 174.87 1jce s VAL 161 N 0.24 1.89 -0.01 2.63 1.01 -0.49 -0.45 120.40 125.23 1jce s VAL 161 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1jce s VAL 161 Cb -0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1jce s VAL 161 CO 0.06 0.51 0.03 0.00 0.00 0.00 0.00 175.10 175.71 1jce s ALA 162 N 1.22 -0.08 -0.34 5.51 0.00 -0.24 -1.36 121.76 126.49 1jce s ALA 162 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1jce s ALA 162 Cb -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1jce s ALA 162 CO -0.09 -0.06 0.19 0.08 0.00 0.00 0.00 175.76 175.88 1jce s VAL 163 N -0.32 4.79 -0.10 0.00 1.01 -0.45 -0.31 120.40 125.02 1jce s VAL 163 Ca -0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1jce s VAL 163 Cb -0.02 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1jce s VAL 163 CO -0.00 -0.03 0.19 -0.63 0.00 0.00 0.00 175.10 174.63 1jce s ILE 164 N 1.63 5.41 -0.28 2.22 1.01 0.54 -0.54 121.20 131.20 1jce s ILE 164 Ca 0.04 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 1jce s ILE 164 Cb -0.18 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 38.93 1jce s ILE 164 CO 0.08 0.60 0.82 -0.55 0.00 0.00 0.00 174.94 175.89 1jce s SER 165 N -0.98 -0.72 -1.36 3.58 0.15 -0.47 -1.74 113.70 112.16 1jce s SER 165 Ca 0.16 1.24 -0.03 0.00 0.70 0.00 0.00 55.95 58.02 1jce s SER 165 Cb -0.13 1.28 0.02 0.00 -1.71 0.00 0.00 66.02 65.48 1jce s SER 165 CO 0.06 -0.20 0.73 0.18 1.20 0.00 0.00 173.24 175.21 1jce n LEU 166 N 3.46 -2.90 -0.52 3.45 4.77 -0.61 -2.16 117.00 122.49 1jce n LEU 166 Ca -0.17 -0.83 -0.07 0.00 -0.03 0.00 0.00 56.01 54.91 1jce n LEU 166 Cb 0.57 -2.60 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 1jce n LEU 166 CO 0.01 0.42 -0.06 0.61 -1.33 0.00 0.00 177.39 177.04 1jce n GLY 167 N -1.64 0.81 3.43 -0.72 0.00 0.22 -4.88 105.19 102.41 1jce n GLY 167 Ca -0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1jce n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jce s SER 168 N -2.45 0.05 -0.23 1.61 0.01 -0.92 -4.89 113.70 106.87 1jce s SER 168 Ca 0.00 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.00 1jce s SER 168 Cb 0.00 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 1jce s SER 168 CO 0.00 -1.03 0.24 -0.63 0.41 0.00 0.00 173.24 172.24 1jce s ILE 169 N -4.04 5.30 -0.16 1.44 1.01 -1.26 -1.36 121.20 122.12 1jce s ILE 169 Ca 0.29 0.35 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 1jce s ILE 169 Cb 0.02 -3.58 -0.23 0.00 0.01 0.00 0.00 42.46 38.68 1jce s ILE 169 CO 0.11 0.30 0.47 0.58 0.00 0.00 0.00 174.94 176.40 1jce h VAL 170 N 5.07 1.21 -4.05 2.92 2.07 -1.13 -3.49 116.25 118.85 1jce h VAL 170 Ca -0.37 -2.29 -0.17 0.00 0.82 0.00 0.00 66.70 64.69 1jce h VAL 170 Cb 1.17 2.70 -0.18 0.00 -1.52 0.00 0.00 31.29 33.46 1jce h VAL 170 CO 0.67 0.50 -0.70 0.42 0.02 0.00 0.00 177.57 178.48 1jce s THR 171 N -2.35 0.30 0.05 2.57 -4.23 -1.25 -5.01 115.64 105.73 1jce s THR 171 Ca -0.24 -1.43 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 1jce s THR 171 Cb 0.03 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.96 1jce s THR 171 CO 0.67 -0.73 0.92 -1.66 -0.54 0.00 0.00 174.62 173.28 1jce s TRP 172 N -2.70 -0.26 0.00 3.99 1.48 -1.26 -1.34 118.94 118.85 1jce s TRP 172 Ca -0.02 0.07 -0.01 0.00 -1.06 0.00 0.00 56.10 55.08 1jce s TRP 172 Cb -0.01 0.57 -0.00 0.00 -1.16 0.00 0.00 33.47 32.87 1jce s TRP 172 CO -0.05 -0.64 0.01 -1.21 -4.06 0.00 0.00 176.95 171.00 1jce s GLU 173 N -3.16 0.12 -0.12 3.25 0.41 -0.46 -4.94 118.70 113.79 1jce s GLU 173 Ca 0.08 -0.17 -0.04 0.00 -0.41 0.00 0.00 54.97 54.43 1jce s GLU 173 Cb -0.01 0.04 0.05 0.00 -1.78 0.00 0.00 34.13 32.44 1jce s GLU 173 CO -0.05 -0.02 0.10 0.45 -0.49 0.00 0.00 175.26 175.25 1jce s SER 174 N -0.46 1.68 0.07 -0.19 0.15 -1.26 -1.39 113.70 112.30 1jce s SER 174 Ca -0.05 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 56.45 1jce s SER 174 Cb -0.03 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1jce s SER 174 CO -0.00 -0.30 -0.27 0.27 1.20 0.00 0.00 173.24 174.14 1jce s ILE 175 N 2.19 2.17 -0.23 6.45 -4.36 -0.78 -4.84 121.20 121.80 1jce s ILE 175 Ca 0.04 -1.51 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1jce s ILE 175 Cb -0.14 -1.88 0.18 0.00 1.25 0.00 0.00 42.46 41.86 1jce s ILE 175 CO -0.07 0.27 1.91 0.54 0.24 0.00 0.00 174.94 177.83 1jce n ARG 176 N 1.48 1.59 -4.04 0.37 1.74 -1.26 -1.19 116.66 115.35 1jce n ARG 176 Ca -0.17 -1.18 -0.32 0.00 -0.77 0.00 0.00 57.85 55.41 1jce n ARG 176 Cb 0.52 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 1jce n ARG 176 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jce s ILE 177 N -1.67 1.93 0.00 0.55 1.01 -1.26 -4.83 121.20 116.93 1jce s ILE 177 Ca 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1jce s ILE 177 Cb 0.18 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1jce s ILE 177 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.05 1jce n ALA 178 N 4.56 0.00 -0.23 9.38 0.00 -1.26 -3.67 120.51 129.28 1jce n ALA 178 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1jce n ALA 178 Cb 0.45 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.03 1jce n ALA 178 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jce h GLY 179 N 0.00 0.79 0.95 0.00 0.00 -1.15 -1.16 103.07 102.49 1jce h GLY 179 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1jce h GLY 179 CO 0.00 -0.24 0.65 -0.55 0.00 0.00 0.00 176.54 176.41 1jce h ASP 180 N 0.13 1.10 0.00 0.19 3.32 -0.79 -2.22 116.42 118.15 1jce h ASP 180 Ca 0.37 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1jce h ASP 180 Cb 0.63 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1jce h ASP 180 CO -0.58 0.77 0.00 -0.62 -1.72 0.00 0.00 179.24 177.09 1jce n GLU 181 N -4.42 0.53 0.00 3.56 4.71 -0.44 -1.73 120.64 122.85 1jce n GLU 181 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1jce n GLU 181 Cb 0.06 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1jce n GLU 181 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jce n ASP 183 N 1.36 0.00 -0.34 1.62 10.43 -0.83 -1.50 116.55 127.29 1jce n ASP 183 Ca 0.00 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 1jce n ASP 183 Cb 0.26 0.00 0.18 0.00 1.84 0.00 0.00 41.12 43.40 1jce n ASP 183 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1jce h GLU 184 N 0.00 1.16 -0.57 -1.24 5.08 -1.62 -1.58 114.58 115.81 1jce h GLU 184 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1jce h GLU 184 Cb 0.00 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1jce h GLU 184 CO 0.00 0.76 0.32 0.00 -1.00 0.00 0.00 179.01 179.09 1jce h ALA 185 N 1.45 1.48 -0.13 3.43 0.00 -1.53 -0.31 119.26 123.64 1jce h ALA 185 Ca 0.38 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1jce h ALA 185 Cb 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jce h ALA 185 CO -0.12 0.43 -0.56 0.82 0.00 0.00 0.00 179.25 179.82 1jce h ILE 186 N 0.79 1.34 -0.15 0.00 2.04 -1.61 -1.02 117.51 118.90 1jce h ILE 186 Ca 0.20 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.26 1jce h ILE 186 Cb 0.02 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1jce h ILE 186 CO -0.03 0.56 -0.04 0.58 0.00 0.00 0.00 178.15 179.22 1jce h VAL 187 N 0.26 0.84 -0.71 1.67 2.07 -0.91 -1.42 116.25 118.05 1jce h VAL 187 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1jce h VAL 187 Cb 1.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1jce h VAL 187 CO 0.12 0.00 0.40 -0.61 0.02 0.00 0.00 177.57 177.50 1jce h GLN 188 N -0.01 0.98 -0.19 1.57 4.15 -1.07 -1.85 115.11 118.70 1jce h GLN 188 Ca 0.08 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1jce h GLN 188 Cb 0.12 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1jce h GLN 188 CO -0.16 0.72 0.11 -0.92 -1.93 0.00 0.00 178.83 176.66 1jce h TYR 189 N 0.98 0.26 -0.77 3.99 3.20 -0.81 -0.75 116.97 123.06 1jce h TYR 189 Ca 0.25 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1jce h TYR 189 Cb 0.02 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1jce h TYR 189 CO -0.01 0.21 0.32 0.28 -1.64 0.00 0.00 178.16 177.33 1jce h VAL 190 N 0.23 1.25 -0.16 1.81 2.07 -1.09 -0.04 116.25 120.32 1jce h VAL 190 Ca 0.07 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1jce h VAL 190 Cb 0.03 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1jce h VAL 190 CO -0.01 0.32 0.02 -0.09 0.02 0.00 0.00 177.57 177.83 1jce h ARG 191 N 1.11 0.27 -0.28 1.57 2.43 -1.12 -0.80 114.38 117.56 1jce h ARG 191 Ca 0.26 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1jce h ARG 191 Cb 0.19 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1jce h ARG 191 CO -0.02 0.46 -0.44 0.93 -1.51 0.00 0.00 179.97 179.38 1jce h GLU 192 N 0.05 0.72 0.05 0.20 5.08 -1.00 -0.27 114.58 119.40 1jce h GLU 192 Ca 0.05 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 1jce h GLU 192 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jce h GLU 192 CO 0.00 1.01 -0.47 1.15 -1.00 0.00 0.00 179.01 179.71 1jce h THR 193 N 0.58 1.57 -0.01 1.13 2.02 -1.04 -3.40 112.91 113.76 1jce h THR 193 Ca 0.04 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1jce h THR 193 Cb 0.99 3.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1jce h THR 193 CO 0.09 0.61 -0.36 -1.22 0.37 0.00 0.00 175.52 175.02 1jce n TYR 194 N -4.41 0.00 -2.29 3.16 4.02 -0.32 -4.98 117.16 112.34 1jce n TYR 194 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.61 1jce n TYR 194 Cb 0.63 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.94 1jce n TYR 194 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jce n ARG 195 N -0.26 -1.21 -4.94 -0.72 1.74 -0.11 -4.91 116.66 106.24 1jce n ARG 195 Ca 0.06 0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 57.46 1jce n ARG 195 Cb 0.31 -4.89 -0.14 0.00 -1.02 0.00 0.00 32.46 26.72 1jce n ARG 195 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jce s VAL 196 N -2.69 2.87 -0.28 1.55 1.01 -1.20 -0.30 120.40 121.35 1jce s VAL 196 Ca 0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1jce s VAL 196 Cb -0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1jce s VAL 196 CO 0.02 0.57 0.30 0.00 0.00 0.00 0.00 175.10 175.99 1jce s ALA 197 N -0.42 3.54 0.28 5.51 0.00 -0.02 -2.91 121.76 127.74 1jce s ALA 197 Ca 0.05 -0.98 0.12 0.00 0.00 0.00 0.00 51.96 51.14 1jce s ALA 197 Cb -0.12 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1jce s ALA 197 CO 0.02 -0.68 -0.19 0.96 0.00 0.00 0.00 175.76 175.86 1jce s ILE 198 N 1.94 2.42 0.67 0.00 -4.36 -1.26 -2.28 121.20 118.33 1jce s ILE 198 Ca 0.11 -2.39 -0.07 0.00 -0.26 0.00 0.00 60.65 58.04 1jce s ILE 198 Cb -0.16 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.30 1jce s ILE 198 CO 0.11 -0.41 0.99 -0.83 0.24 0.00 0.00 174.94 175.03 1jce s GLY 199 N -3.50 1.65 0.22 6.27 0.00 -1.26 -4.94 107.32 105.76 1jce s GLY 199 Ca 0.29 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1jce s GLY 199 CO 0.14 -0.43 1.86 -2.09 0.00 0.00 0.00 173.10 172.58 1jce h GLU 200 N -0.48 1.17 -0.28 2.90 4.81 -1.96 -1.64 114.58 119.10 1jce h GLU 200 Ca -0.45 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 1jce h GLU 200 Cb 1.29 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1jce h GLU 200 CO 0.61 0.84 -0.25 0.00 -0.73 0.00 0.00 179.01 179.48 1jce h ARG 201 N 1.18 0.55 -0.41 1.92 3.08 -1.94 -0.60 114.38 118.17 1jce h ARG 201 Ca 0.30 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1jce h ARG 201 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1jce h ARG 201 CO -0.05 0.76 -0.27 1.15 -1.07 0.00 0.00 179.97 180.48 1jce h THR 202 N 0.49 1.27 -0.58 2.04 2.02 -1.87 -1.44 112.91 114.83 1jce h THR 202 Ca 0.07 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.76 1jce h THR 202 Cb 0.69 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1jce h THR 202 CO 0.05 0.48 0.11 0.00 0.37 0.00 0.00 175.52 176.53 1jce h ALA 203 N 0.95 1.09 -0.50 6.16 0.00 -0.92 -1.73 119.26 124.31 1jce h ALA 203 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1jce h ALA 203 Cb 0.82 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jce h ALA 203 CO 0.07 0.60 -0.09 1.49 0.00 0.00 0.00 179.25 181.31 1jce h GLU 204 N 0.88 0.92 -0.47 0.00 4.81 -0.87 -1.04 114.58 118.81 1jce h GLU 204 Ca 0.18 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1jce h GLU 204 Cb 0.37 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1jce h GLU 204 CO 0.01 0.97 0.29 -0.09 -0.73 0.00 0.00 179.01 179.46 1jce h ARG 205 N 0.82 0.64 -0.30 1.92 2.43 -0.85 -0.62 114.38 118.43 1jce h ARG 205 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1jce h ARG 205 Cb 0.62 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1jce h ARG 205 CO 0.04 0.46 0.17 0.28 -1.51 0.00 0.00 179.97 179.41 1jce h VAL 206 N 0.64 1.02 -0.75 0.20 2.07 -1.03 0.16 116.25 118.56 1jce h VAL 206 Ca 0.17 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1jce h VAL 206 Cb -0.02 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1jce h VAL 206 CO -0.03 0.06 0.42 0.50 0.02 0.00 0.00 177.57 178.54 1jce h LYS 207 N 0.35 0.73 -0.16 1.57 3.64 -0.73 0.12 116.57 122.07 1jce h LYS 207 Ca 0.12 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1jce h LYS 207 Cb 0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1jce h LYS 207 CO -0.06 0.48 -0.38 0.82 -2.27 0.00 0.00 179.45 178.04 1jce h ILE 208 N 0.75 1.35 -0.06 2.00 2.04 -0.66 -1.41 117.51 121.50 1jce h ILE 208 Ca 0.35 -1.64 -0.23 0.00 1.00 0.00 0.00 64.86 64.34 1jce h ILE 208 Cb 0.26 1.97 0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1jce h ILE 208 CO -0.21 0.50 -0.84 -0.33 0.00 0.00 0.00 178.15 177.26 1jce h GLU 209 N 0.19 0.68 0.00 2.37 5.08 -0.44 -3.40 114.58 119.06 1jce h GLU 209 Ca -0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1jce h GLU 209 Cb 0.99 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jce h GLU 209 CO 0.08 1.25 0.00 0.44 -1.00 0.00 0.00 179.01 179.78 1jce n ILE 210 N -3.97 0.29 -1.89 3.13 -5.35 0.01 -4.93 119.36 106.64 1jce n ILE 210 Ca -0.09 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 1jce n ILE 210 Cb 0.78 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.62 1jce n ILE 210 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jce s GLY 211 N -0.29 1.49 0.09 3.28 0.00 -0.53 -4.64 107.32 106.72 1jce s GLY 211 Ca 0.00 1.41 -0.19 0.00 0.00 0.00 0.00 44.72 45.94 1jce s GLY 211 CO 0.00 2.68 0.46 0.54 0.00 0.00 0.00 173.10 176.78 1jce s ASN 212 N 1.17 -0.34 -0.01 1.64 4.22 -1.26 -2.50 114.94 117.86 1jce s ASN 212 Ca 0.71 -0.09 0.02 0.00 -2.14 0.00 0.00 52.86 51.36 1jce s ASN 212 Cb -0.45 0.48 0.03 0.00 1.28 0.00 0.00 41.25 42.59 1jce s ASN 212 CO 0.31 -0.79 0.78 1.33 -2.04 0.00 0.00 177.10 176.70 1jce n VAL 213 N 0.08 0.47 -4.21 3.54 0.24 -0.30 -3.98 118.33 114.17 1jce n VAL 213 Ca -0.17 -0.51 -0.19 0.00 -2.04 0.00 0.00 64.34 61.42 1jce n VAL 213 Cb 0.62 0.66 -0.16 0.00 -1.47 0.00 0.00 33.84 33.49 1jce n VAL 213 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1jce s PHE 214 N -0.57 0.74 0.23 6.34 5.36 -1.25 -4.90 117.98 123.93 1jce s PHE 214 Ca 0.03 -0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.51 1jce s PHE 214 Cb 0.03 -0.61 -0.09 0.00 -0.34 0.00 0.00 43.02 42.00 1jce s PHE 214 CO 0.00 -0.15 1.32 -1.25 -1.46 0.00 0.00 175.22 173.68 1jce s PRO 215 N 0.64 4.38 -0.08 10.12 0.04 -1.26 -4.89 135.00 143.95 1jce s PRO 215 Ca -0.09 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1jce s PRO 215 Cb -0.12 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.37 1jce s PRO 215 CO 0.00 -0.24 0.96 -1.54 0.04 0.00 0.00 177.00 176.23 1jce s SER 216 N 0.14 -0.34 0.12 6.66 1.04 -1.26 -5.02 113.70 115.05 1jce s SER 216 Ca 0.55 0.12 -0.20 0.00 0.48 0.00 0.00 55.95 56.90 1jce s SER 216 Cb -0.38 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1jce s SER 216 CO 0.41 -0.48 1.73 0.50 0.98 0.00 0.00 173.24 176.39 1jce h LYS 217 N 2.17 0.07 -0.50 4.02 3.64 -1.99 -0.78 116.57 123.21 1jce h LYS 217 Ca -0.19 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1jce h LYS 217 Cb 1.21 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1jce h LYS 217 CO 0.30 0.05 0.26 1.49 -2.27 0.00 0.00 179.45 179.28 1jce h GLU 218 N 0.08 0.51 -0.57 1.90 4.81 -1.99 -2.08 114.58 117.23 1jce h GLU 218 Ca 0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1jce h GLU 218 Cb 0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1jce h GLU 218 CO -0.10 0.33 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.55 1jce h ASN 219 N 0.52 1.02 0.23 1.04 2.35 -1.83 -2.91 115.58 116.00 1jce h ASN 219 Ca 0.21 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1jce h ASN 219 Cb 0.10 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1jce h ASN 219 CO -0.14 1.10 -0.23 0.44 -1.65 0.00 0.00 177.43 176.95 1jce h ASP 220 N 0.93 0.00 1.53 5.81 3.32 -0.82 -2.57 116.42 124.62 1jce h ASP 220 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1jce h ASP 220 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1jce h ASP 220 CO 0.04 0.23 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.37 1jce h GLU 221 N 0.00 0.00 -6.88 3.56 5.08 -1.20 -3.33 114.58 111.81 1jce h GLU 221 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1jce h GLU 221 Cb 0.40 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.77 1jce h GLU 221 CO 0.03 0.00 0.59 1.28 -1.00 0.00 0.00 179.01 179.91 1jce n LEU 222 N -2.46 4.41 -3.61 1.33 4.77 -0.97 -4.83 117.00 115.64 1jce n LEU 222 Ca 0.05 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.03 1jce n LEU 222 Cb 0.46 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1jce n LEU 222 CO 0.32 -0.38 0.23 -1.83 -1.33 0.00 0.00 177.39 174.40 1jce s GLU 223 N -2.23 0.99 0.13 3.23 -1.05 -1.26 -0.77 118.70 117.74 1jce s GLU 223 Ca 0.59 -0.30 -0.25 0.00 -0.15 0.00 0.00 54.97 54.87 1jce s GLU 223 Cb -0.49 0.45 0.07 0.00 -0.44 0.00 0.00 34.13 33.72 1jce s GLU 223 CO 0.59 -0.35 0.79 -0.08 0.95 0.00 0.00 175.26 177.16 1jce s THR 224 N -2.49 0.00 0.29 1.83 -1.32 -0.96 -4.95 115.64 108.03 1jce s THR 224 Ca -0.05 -0.32 0.07 0.00 -1.21 0.00 0.00 61.69 60.18 1jce s THR 224 Cb -0.01 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 1jce s THR 224 CO -0.02 0.00 0.25 0.42 -2.21 0.00 0.00 174.62 173.06 1jce s THR 225 N -3.49 3.99 0.02 5.08 -4.23 -1.26 -0.84 115.64 114.92 1jce s THR 225 Ca 0.06 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1jce s THR 225 Cb -0.02 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 1jce s THR 225 CO -0.05 -0.26 -0.06 0.68 -0.54 0.00 0.00 174.62 174.39 1jce s VAL 226 N -2.22 0.40 0.01 2.29 -7.23 -0.09 -4.93 120.40 108.63 1jce s VAL 226 Ca 0.37 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1jce s VAL 226 Cb -0.07 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 1jce s VAL 226 CO 0.26 -0.25 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.20 1jce s SER 227 N -1.09 1.91 0.00 4.85 0.01 -1.26 -1.64 113.70 116.48 1jce s SER 227 Ca -0.07 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1jce s SER 227 Cb -0.07 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1jce s SER 227 CO -0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1jce n GLY 228 N 2.39 2.15 3.33 3.44 0.00 -0.38 -4.73 105.19 111.39 1jce n GLY 228 Ca -0.16 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1jce n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jce s ILE 229 N -0.67 2.79 -0.42 -0.61 -1.09 -0.97 -0.92 121.20 119.31 1jce s ILE 229 Ca 0.00 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 1jce s ILE 229 Cb 0.00 -2.15 0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1jce s ILE 229 CO 0.00 0.53 1.34 -0.62 -1.23 0.00 0.00 174.94 174.96 1jce s ASP 230 N 0.36 6.44 0.53 3.58 -1.08 0.81 -0.84 116.67 126.46 1jce s ASP 230 Ca -0.13 0.77 0.30 0.00 -0.52 0.00 0.00 52.55 52.97 1jce s ASP 230 Cb -0.16 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 1jce s ASP 230 CO 0.06 -1.36 2.04 -0.07 0.52 0.00 0.00 175.17 176.37 1jce h LEU 231 N 11.86 0.00 0.00 -1.34 3.38 -0.97 0.45 115.31 128.69 1jce h LEU 231 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1jce h LEU 231 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jce h LEU 231 CO 1.09 0.10 -0.53 -1.54 0.09 0.00 0.00 178.44 177.65 1jce n SER 232 N -3.42 0.61 0.00 -0.43 3.41 -1.25 -4.28 113.62 108.26 1jce n SER 232 Ca -0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1jce n SER 232 Cb 0.27 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1jce n SER 232 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jce n THR 233 N -1.93 0.00 -1.07 6.66 -2.24 -1.08 -5.02 114.28 109.60 1jce n THR 233 Ca 0.04 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1jce n THR 233 Cb 0.41 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1jce n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jce n GLY 234 N 1.52 0.57 3.68 3.38 0.00 0.16 -5.03 105.19 109.47 1jce n GLY 234 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1jce n GLY 234 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jce s LEU 235 N -0.54 3.44 0.56 0.99 1.43 -1.21 -4.87 118.68 118.49 1jce s LEU 235 Ca 0.00 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 1jce s LEU 235 Cb 0.00 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1jce s LEU 235 CO 0.00 0.19 1.23 -2.16 0.23 0.00 0.00 176.35 175.84 1jce s PRO 236 N -2.22 3.12 -0.10 1.29 0.04 -1.26 -0.14 135.00 135.73 1jce s PRO 236 Ca 0.25 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1jce s PRO 236 Cb -0.12 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1jce s PRO 236 CO 0.17 -1.11 0.40 0.50 0.04 0.00 0.00 177.00 177.00 1jce s ARG 237 N -3.15 0.60 -0.05 4.56 3.52 -0.09 -4.76 118.95 119.58 1jce s ARG 237 Ca 0.74 0.30 0.05 0.00 -0.13 0.00 0.00 55.73 56.69 1jce s ARG 237 Cb -0.32 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1jce s ARG 237 CO 0.36 -0.12 -0.20 0.21 -0.81 0.00 0.00 175.30 174.74 1jce s LYS 238 N -0.41 2.02 0.17 5.12 2.20 -1.26 -1.24 119.74 126.34 1jce s LYS 238 Ca -0.05 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 1jce s LYS 238 Cb -0.03 -1.75 -0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1jce s LYS 238 CO 0.03 0.30 0.32 -0.48 -0.36 0.00 0.00 175.35 175.15 1jce s LEU 239 N -0.05 0.82 -0.09 5.43 0.05 -0.65 -4.98 118.68 119.21 1jce s LEU 239 Ca -0.03 -0.84 -0.02 0.00 0.05 0.00 0.00 54.13 53.29 1jce s LEU 239 Cb -0.12 1.32 -0.03 0.00 -2.05 0.00 0.00 46.19 45.31 1jce s LEU 239 CO 0.02 -0.93 -0.01 -0.89 -0.55 0.00 0.00 176.35 174.00 1jce s THR 240 N -3.96 4.22 0.08 5.48 2.01 -1.26 -0.91 115.64 121.30 1jce s THR 240 Ca 0.17 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1jce s THR 240 Cb 0.03 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1jce s THR 240 CO 0.01 0.60 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.63 1jce s LEU 241 N -0.78 2.82 0.18 4.42 1.43 -0.02 -4.99 118.68 121.75 1jce s LEU 241 Ca 0.12 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1jce s LEU 241 Cb -0.11 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1jce s LEU 241 CO 0.02 0.21 -0.23 -0.54 0.23 0.00 0.00 176.35 176.05 1jce s LYS 242 N -1.87 1.43 0.36 1.70 1.02 -1.26 -2.27 119.74 118.85 1jce s LYS 242 Ca 0.18 -1.46 0.19 0.00 0.02 0.00 0.00 55.97 54.89 1jce s LYS 242 Cb -0.11 -1.69 1.22 0.00 -0.52 0.00 0.00 37.83 36.73 1jce s LYS 242 CO 0.09 0.36 1.63 0.78 -0.92 0.00 0.00 175.35 177.30 1jce h GLY 243 N 3.31 2.03 0.98 -3.33 0.00 -1.02 -0.74 103.07 104.29 1jce h GLY 243 Ca -0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1jce h GLY 243 CO 0.48 -0.58 0.26 -1.33 0.00 0.00 0.00 176.54 175.37 1jce h GLY 244 N 0.19 0.72 0.99 4.60 0.00 -1.74 -0.99 103.07 106.85 1jce h GLY 244 Ca 0.78 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1jce h GLY 244 CO -0.63 0.32 0.12 0.83 0.00 0.00 0.00 176.54 177.18 1jce h GLU 245 N 0.64 0.24 -0.70 4.80 5.08 -1.52 -2.07 114.58 121.04 1jce h GLU 245 Ca 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1jce h GLU 245 Cb 0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1jce h GLU 245 CO -0.03 0.17 0.16 0.28 -1.00 0.00 0.00 179.01 178.59 1jce h VAL 246 N 0.24 1.26 -0.78 3.13 2.07 -1.39 -0.74 116.25 120.04 1jce h VAL 246 Ca 0.07 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1jce h VAL 246 Cb -0.01 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1jce h VAL 246 CO -0.01 0.38 0.52 -0.09 0.02 0.00 0.00 177.57 178.38 1jce h ARG 247 N 1.07 1.02 -0.60 1.57 2.43 -1.01 -1.47 114.38 117.40 1jce h ARG 247 Ca 0.22 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1jce h ARG 247 Cb 0.39 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1jce h ARG 247 CO 0.01 0.67 0.01 1.49 -1.51 0.00 0.00 179.97 180.63 1jce h GLU 248 N 1.05 1.04 -0.48 0.20 4.81 -0.92 -2.73 114.58 117.56 1jce h GLU 248 Ca 0.29 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1jce h GLU 248 Cb -0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1jce h GLU 248 CO -0.07 1.01 0.25 0.00 -0.73 0.00 0.00 179.01 179.47 1jce h ALA 249 N 1.04 1.53 -0.22 2.92 0.00 -0.35 -2.42 119.26 121.76 1jce h ALA 249 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jce h ALA 249 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jce h ALA 249 CO 0.03 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1jce n LEU 250 N -4.40 1.74 0.02 0.00 4.77 -0.63 -4.51 117.00 114.00 1jce n LEU 250 Ca 0.04 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 55.14 1jce n LEU 250 Cb 0.11 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1jce n LEU 250 CO 0.37 0.38 0.84 -0.09 -1.33 0.00 0.00 177.39 177.56 1jce h ARG 251 N 2.20 -0.04 -0.51 3.23 9.65 -1.14 -1.54 114.38 126.24 1jce h ARG 251 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1jce h ARG 251 Cb 0.49 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1jce h ARG 251 CO 0.00 -0.03 0.10 0.66 2.80 0.00 0.00 179.97 183.50 1jce h SER 252 N -0.04 0.73 -0.09 -3.80 4.64 -1.81 0.73 113.55 113.90 1jce h SER 252 Ca 0.03 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1jce h SER 252 Cb 0.09 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1jce h SER 252 CO -0.07 0.74 0.03 0.58 -0.87 0.00 0.00 176.83 177.23 1jce h VAL 253 N 0.75 1.19 -0.87 0.95 2.07 -1.82 -2.07 116.25 116.44 1jce h VAL 253 Ca 0.16 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1jce h VAL 253 Cb 0.31 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1jce h VAL 253 CO 0.00 0.16 0.53 0.58 0.02 0.00 0.00 177.57 178.87 1jce h VAL 254 N -0.05 1.24 -0.72 2.57 2.07 -0.96 -1.70 116.25 118.70 1jce h VAL 254 Ca 0.03 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1jce h VAL 254 Cb 0.24 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1jce h VAL 254 CO -0.00 0.25 0.45 0.58 0.02 0.00 0.00 177.57 178.87 1jce h VAL 255 N 1.20 1.10 -0.61 2.57 2.07 -0.72 -0.61 116.25 121.24 1jce h VAL 255 Ca 0.31 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jce h VAL 255 Cb -0.05 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1jce h VAL 255 CO -0.06 0.16 0.35 0.00 0.02 0.00 0.00 177.57 178.05 1jce h ALA 256 N 1.31 0.78 -0.09 1.67 0.00 -0.67 -1.06 119.26 121.21 1jce h ALA 256 Ca 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jce h ALA 256 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jce h ALA 256 CO -0.11 0.28 0.04 0.82 0.00 0.00 0.00 179.25 180.28 1jce h ILE 257 N 0.83 1.12 -0.53 0.00 2.04 -0.67 -1.73 117.51 118.58 1jce h ILE 257 Ca 0.22 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1jce h ILE 257 Cb 0.01 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1jce h ILE 257 CO -0.04 0.11 0.30 0.58 0.00 0.00 0.00 178.15 179.10 1jce h VAL 258 N 0.00 1.02 -0.62 1.67 2.07 -0.99 -2.36 116.25 117.05 1jce h VAL 258 Ca 0.03 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1jce h VAL 258 Cb 0.14 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1jce h VAL 258 CO -0.00 0.11 0.36 -0.08 0.02 0.00 0.00 177.57 177.97 1jce h GLU 259 N 0.60 0.67 -0.55 1.57 4.81 -1.02 -1.35 114.58 119.30 1jce h GLU 259 Ca 0.22 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1jce h GLU 259 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1jce h GLU 259 CO -0.12 0.44 0.34 0.77 -0.73 0.00 0.00 179.01 179.71 1jce h SER 260 N 0.69 0.65 -0.11 1.04 0.02 -0.82 -0.53 113.55 114.48 1jce h SER 260 Ca 0.26 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1jce h SER 260 Cb 0.10 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jce h SER 260 CO -0.14 0.49 -0.04 0.58 -1.14 0.00 0.00 176.83 176.58 1jce h VAL 261 N 0.76 1.31 -0.77 2.27 2.07 -0.90 -2.14 116.25 118.85 1jce h VAL 261 Ca 0.20 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1jce h VAL 261 Cb -0.05 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1jce h VAL 261 CO -0.04 0.29 0.50 0.03 0.02 0.00 0.00 177.57 178.38 1jce h ARG 262 N -0.11 0.99 -0.71 1.57 3.08 -0.88 -1.77 114.38 116.55 1jce h ARG 262 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1jce h ARG 262 Cb 0.48 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1jce h ARG 262 CO 0.01 0.65 0.21 1.15 -1.07 0.00 0.00 179.97 180.93 1jce h THR 263 N 1.02 1.26 -0.37 2.04 2.02 -1.08 -1.66 112.91 116.14 1jce h THR 263 Ca 0.29 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1jce h THR 263 Cb -0.09 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1jce h THR 263 CO -0.07 0.36 -0.07 0.74 0.37 0.00 0.00 175.52 176.85 1jce h THR 264 N 1.06 1.27 -0.76 3.16 2.02 -1.02 -3.01 112.91 115.63 1jce h THR 264 Ca 0.23 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1jce h THR 264 Cb 0.32 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1jce h THR 264 CO -0.01 0.37 0.50 -0.07 0.37 0.00 0.00 175.52 176.68 1jce h LEU 265 N 0.50 0.85 -0.90 2.58 3.38 -1.14 -2.71 115.31 117.87 1jce h LEU 265 Ca 0.10 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1jce h LEU 265 Cb 0.57 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1jce h LEU 265 CO 0.03 0.61 0.56 -0.08 0.09 0.00 0.00 178.44 179.64 1jce h GLU 266 N 1.00 0.94 -0.37 1.13 4.81 -1.18 -2.38 114.58 118.54 1jce h GLU 266 Ca 0.29 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1jce h GLU 266 Cb -0.07 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.09 1jce h GLU 266 CO -0.08 0.62 0.00 0.36 -0.73 0.00 0.00 179.01 179.19 1jce n LYS 267 N -4.63 2.10 -2.81 1.92 2.85 -1.08 -4.92 118.16 111.59 1jce n LYS 267 Ca 0.14 -1.68 -0.40 0.00 -1.05 0.00 0.00 58.31 55.32 1jce n LYS 267 Cb 0.23 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1jce n LYS 267 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jce s THR 268 N -1.51 4.46 0.22 0.58 2.01 -0.90 -4.99 115.64 115.51 1jce s THR 268 Ca 0.34 1.95 -0.32 0.00 0.31 0.00 0.00 61.69 63.98 1jce s THR 268 Cb 0.18 -4.27 -0.14 0.00 0.01 0.00 0.00 72.50 68.29 1jce s THR 268 CO 0.26 0.38 1.35 -2.65 -0.69 0.00 0.00 174.62 173.26 1jce n PRO 269 N 2.46 1.83 -0.29 4.92 -0.02 -1.26 -4.68 135.00 137.96 1jce n PRO 269 Ca -0.00 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 1jce n PRO 269 Cb 0.49 -2.27 0.17 0.00 -0.02 0.00 0.00 33.50 31.86 1jce n PRO 269 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jce h PRO 270 N 4.02 0.04 -0.25 0.52 0.13 -1.96 0.85 132.00 135.36 1jce h PRO 270 Ca -0.45 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jce h PRO 270 Cb 1.29 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1jce h PRO 270 CO 0.74 0.03 0.13 0.93 -0.23 0.00 0.00 178.00 179.60 1jce h GLU 271 N 0.04 0.33 -0.05 0.86 4.39 -2.00 0.03 114.58 118.18 1jce h GLU 271 Ca 0.45 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.88 1jce h GLU 271 Cb 0.79 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1jce h GLU 271 CO -0.81 0.24 -0.94 -0.07 -1.16 0.00 0.00 179.01 176.27 1jce h LEU 272 N 0.34 0.90 -0.89 1.33 3.38 -1.23 -2.81 115.31 116.32 1jce h LEU 272 Ca 0.09 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.43 1jce h LEU 272 Cb 0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1jce h LEU 272 CO -0.02 1.47 0.57 0.58 0.09 0.00 0.00 178.44 181.14 1jce h VAL 273 N 0.44 1.13 -0.81 1.22 2.07 -0.38 -0.76 116.25 119.16 1jce h VAL 273 Ca -0.10 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.11 1jce h VAL 273 Cb 1.58 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1jce h VAL 273 CO 0.19 0.20 0.48 -1.28 0.02 0.00 0.00 177.57 177.18 1jce h SER 274 N 1.10 0.74 -0.35 0.57 0.87 -0.96 -1.14 113.55 114.38 1jce h SER 274 Ca 0.36 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 1jce h SER 274 Cb 0.03 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1jce h SER 274 CO -0.13 0.47 0.06 0.44 -0.53 0.00 0.00 176.83 177.14 1jce h ASP 275 N 0.87 0.55 -0.82 6.23 3.45 -0.97 -3.08 116.42 122.66 1jce h ASP 275 Ca 0.36 -0.26 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1jce h ASP 275 Cb 0.20 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.79 1jce h ASP 275 CO -0.19 0.67 0.39 0.40 -1.57 0.00 0.00 179.24 178.94 1jce h ILE 276 N 0.41 1.26 -0.99 0.35 2.04 -0.61 0.22 117.51 120.20 1jce h ILE 276 Ca 0.10 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.27 1jce h ILE 276 Cb 0.36 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1jce h ILE 276 CO 0.01 0.31 0.65 0.40 0.00 0.00 0.00 178.15 179.51 1jce h ILE 277 N 1.18 1.18 0.23 -0.67 2.04 -1.20 0.44 117.51 120.71 1jce h ILE 277 Ca 0.28 -0.43 -0.32 0.00 1.00 0.00 0.00 64.86 65.39 1jce h ILE 277 Cb 0.12 -0.19 0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1jce h ILE 277 CO -0.03 0.23 -1.42 -0.33 0.00 0.00 0.00 178.15 176.60 1jce h GLU 278 N 1.26 0.50 0.12 2.37 4.39 -1.35 -3.38 114.58 118.49 1jce h GLU 278 Ca 0.39 -0.85 -0.27 0.00 0.34 0.00 0.00 59.36 58.97 1jce h GLU 278 Cb -0.01 0.32 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1jce h GLU 278 CO -0.12 1.41 -1.23 -0.09 -1.16 0.00 0.00 179.01 177.82 1jce h ARG 279 N 0.07 0.29 0.00 2.33 2.43 -0.42 -3.51 114.38 115.57 1jce h ARG 279 Ca -0.25 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1jce h ARG 279 Cb 2.09 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.82 1jce h ARG 279 CO 0.25 1.22 0.00 0.41 -1.51 0.00 0.00 179.97 180.34 1jce n GLY 280 N 1.49 0.39 3.78 2.80 0.00 0.15 -4.98 105.19 108.82 1jce n GLY 280 Ca -0.09 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 1jce n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jce s ILE 281 N -2.38 5.18 -0.33 -0.61 1.01 0.12 -4.91 121.20 119.28 1jce s ILE 281 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 1jce s ILE 281 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1jce s ILE 281 CO 0.00 0.46 0.46 0.12 0.00 0.00 0.00 174.94 175.98 1jce s PHE 282 N -0.20 3.21 -0.24 3.97 5.36 -1.26 -0.06 117.98 128.75 1jce s PHE 282 Ca 0.22 0.22 -0.09 0.00 -0.96 0.00 0.00 56.93 56.31 1jce s PHE 282 Cb -0.15 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.70 1jce s PHE 282 CO 0.09 -0.44 0.11 -1.17 -1.46 0.00 0.00 175.22 172.36 1jce s LEU 283 N 2.25 3.82 0.29 6.12 2.96 0.28 -0.34 118.68 134.06 1jce s LEU 283 Ca 0.17 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1jce s LEU 283 Cb -0.16 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1jce s LEU 283 CO 0.12 0.04 0.37 0.28 -1.32 0.00 0.00 176.35 175.84 1jce s THR 284 N 1.19 0.00 0.00 3.68 -1.32 -0.03 -1.18 115.64 117.98 1jce s THR 284 Ca 0.06 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1jce s THR 284 Cb -0.14 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1jce s THR 284 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1jce n GLY 285 N -0.47 2.14 0.25 6.08 0.00 -1.15 -1.15 105.19 110.90 1jce n GLY 285 Ca 0.01 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.38 1jce n GLY 285 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jce h GLY 286 N 0.00 0.00 1.73 -0.02 0.00 -1.61 -1.76 103.07 101.40 1jce h GLY 286 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jce h GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jce n GLY 287 N -1.38 -1.33 0.21 4.60 0.00 0.59 -3.31 105.19 104.56 1jce n GLY 287 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1jce n GLY 287 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jce n SER 288 N -1.36 0.90 0.00 1.61 3.41 -0.66 -4.25 113.62 113.25 1jce n SER 288 Ca 0.11 -0.80 0.08 0.00 -0.26 0.00 0.00 58.87 58.01 1jce n SER 288 Cb 0.27 0.10 0.48 0.00 -0.26 0.00 0.00 64.21 64.80 1jce n SER 288 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jce n LEU 289 N -0.74 0.00 -4.69 1.04 4.77 -1.21 -4.76 117.00 111.40 1jce n LEU 289 Ca 0.12 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 1jce n LEU 289 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1jce n LEU 289 CO 0.26 0.00 1.00 0.18 -1.33 0.00 0.00 177.39 177.50 1jce n LEU 290 N -0.94 3.50 -4.70 2.23 4.77 -1.26 -4.85 117.00 115.75 1jce n LEU 290 Ca 0.12 1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 56.84 1jce n LEU 290 Cb 0.06 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 1jce n LEU 290 CO 0.09 -0.38 1.35 0.54 -1.33 0.00 0.00 177.39 177.66 1jce n ARG 291 N 1.42 2.58 -1.03 3.23 1.74 -1.04 -2.24 116.66 121.32 1jce n ARG 291 Ca 0.08 0.93 -0.01 0.00 -0.77 0.00 0.00 57.85 58.08 1jce n ARG 291 Cb 0.34 -2.77 -0.00 0.00 -1.02 0.00 0.00 32.46 29.01 1jce n ARG 291 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jce n GLY 292 N 3.88 0.47 0.29 -0.13 0.00 -1.26 -1.15 105.19 107.30 1jce n GLY 292 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1jce n GLY 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jce h LEU 293 N 0.00 1.04 -0.42 0.99 6.46 -1.75 -0.61 115.31 121.03 1jce h LEU 293 Ca -0.02 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.32 1jce h LEU 293 Cb 0.23 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1jce h LEU 293 CO 0.03 1.16 0.01 -2.24 -0.62 0.00 0.00 178.44 176.78 1jce h ASP 294 N 0.91 0.71 -0.55 1.25 -0.00 -1.88 -1.55 116.42 115.31 1jce h ASP 294 Ca 0.13 -0.30 0.06 0.00 -0.00 0.00 0.00 57.03 56.92 1jce h ASP 294 Cb 0.71 -0.19 -0.05 0.00 -0.00 0.00 0.00 39.33 39.80 1jce h ASP 294 CO 0.05 0.84 0.26 0.74 -0.00 0.00 0.00 179.24 181.13 1jce h THR 295 N 0.56 0.92 -0.27 1.15 2.02 -1.89 -0.74 112.91 114.66 1jce h THR 295 Ca 0.12 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1jce h THR 295 Cb 0.47 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jce h THR 295 CO 0.02 0.09 0.00 0.25 0.37 0.00 0.00 175.52 176.25 1jce h LEU 296 N 0.50 0.47 -0.86 2.58 5.85 -0.93 -1.88 115.31 121.04 1jce h LEU 296 Ca 0.25 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1jce h LEU 296 Cb 0.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1jce h LEU 296 CO -0.19 0.66 0.14 -0.07 -0.34 0.00 0.00 178.44 178.64 1jce h LEU 297 N 0.26 0.93 -0.52 2.25 3.38 -1.03 -0.48 115.31 120.10 1jce h LEU 297 Ca 0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1jce h LEU 297 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jce h LEU 297 CO 0.01 0.91 0.01 -0.61 0.09 0.00 0.00 178.44 178.85 1jce h GLN 298 N 0.94 0.92 -0.27 1.13 4.15 -1.07 0.00 115.11 120.91 1jce h GLN 298 Ca 0.20 -0.29 -0.12 0.00 0.77 0.00 0.00 58.65 59.21 1jce h GLN 298 Cb 0.35 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1jce h GLN 298 CO 0.00 0.93 -0.34 -0.22 -1.93 0.00 0.00 178.83 177.28 1jce h LYS 299 N 0.79 0.59 -0.01 1.69 3.64 -1.08 0.28 116.57 122.47 1jce h LYS 299 Ca 0.15 -0.27 -0.26 0.00 -1.27 0.00 0.00 60.65 59.00 1jce h LYS 299 Cb 0.51 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1jce h LYS 299 CO 0.02 0.85 -1.01 0.93 -2.27 0.00 0.00 179.45 177.97 1jce h GLU 300 N 0.50 0.71 0.00 1.90 4.39 -0.91 -3.34 114.58 117.83 1jce h GLU 300 Ca 0.05 -0.74 -0.06 0.00 0.34 0.00 0.00 59.36 58.95 1jce h GLU 300 Cb 0.83 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1jce h GLU 300 CO 0.07 1.32 -1.18 0.25 -1.16 0.00 0.00 179.01 178.31 1jce n THR 301 N -3.88 0.80 -1.00 1.13 -2.24 -0.03 -4.95 114.28 104.12 1jce n THR 301 Ca -0.11 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1jce n THR 301 Cb 0.87 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1jce n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jce n GLY 302 N 1.26 0.47 3.45 3.38 0.00 0.99 -5.01 105.19 109.72 1jce n GLY 302 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1jce n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jce s ILE 303 N -1.98 2.78 0.34 -0.61 1.01 -1.20 -5.03 121.20 116.51 1jce s ILE 303 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1jce s ILE 303 Cb 0.00 -2.12 -0.11 0.00 0.01 0.00 0.00 42.46 40.24 1jce s ILE 303 CO 0.00 0.44 1.47 -0.44 0.00 0.00 0.00 174.94 176.41 1jce s SER 304 N -1.12 6.47 -0.10 3.58 0.01 -1.26 -4.20 113.70 117.07 1jce s SER 304 Ca 0.13 2.92 0.03 0.00 1.31 0.00 0.00 55.95 60.34 1jce s SER 304 Cb -0.10 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1jce s SER 304 CO 0.03 -0.80 -0.20 -0.69 0.41 0.00 0.00 173.24 171.99 1jce s VAL 305 N -0.77 2.41 -0.15 3.43 1.01 -1.26 0.12 120.40 125.20 1jce s VAL 305 Ca 0.55 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1jce s VAL 305 Cb -0.45 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1jce s VAL 305 CO 0.56 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 175.38 1jce s ILE 306 N 0.19 2.17 0.32 2.22 1.01 0.91 -4.93 121.20 123.10 1jce s ILE 306 Ca -0.12 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.34 1jce s ILE 306 Cb -0.16 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.32 1jce s ILE 306 CO 0.07 0.54 0.94 -0.13 0.00 0.00 0.00 174.94 176.36 1jce s ARG 307 N 0.93 4.58 0.67 2.79 0.52 -1.26 -0.55 118.95 126.63 1jce s ARG 307 Ca -0.04 1.33 -0.13 0.00 -0.52 0.00 0.00 55.73 56.37 1jce s ARG 307 Cb -0.15 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1jce s ARG 307 CO -0.04 0.28 1.08 -1.54 0.02 0.00 0.00 175.30 175.09 1jce s SER 308 N -1.62 5.26 0.15 0.23 1.04 -0.33 -4.88 113.70 113.55 1jce s SER 308 Ca 0.50 1.80 0.14 0.00 0.48 0.00 0.00 55.95 58.87 1jce s SER 308 Cb -0.19 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.33 1jce s SER 308 CO 0.24 -1.53 1.15 -0.33 0.98 0.00 0.00 173.24 173.75 1jce h GLU 309 N -0.30 0.00 -2.12 4.02 5.08 -1.96 -3.37 114.58 115.93 1jce h GLU 309 Ca -0.45 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 1jce h GLU 309 Cb 1.23 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.07 1jce h GLU 309 CO 0.55 0.54 -0.79 0.39 -1.00 0.00 0.00 179.01 178.70 1jce n GLU 310 N -3.13 1.89 0.27 2.33 1.02 -1.26 -4.95 120.64 116.81 1jce n GLU 310 Ca -0.04 -4.15 0.11 0.00 -0.02 0.00 0.00 57.16 53.06 1jce n GLU 310 Cb 0.84 -1.88 0.74 0.00 -0.02 0.00 0.00 31.44 31.12 1jce n GLU 310 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jce h PRO 311 N 4.03 0.00 0.00 3.49 0.13 -1.93 -2.47 132.00 135.25 1jce h PRO 311 Ca 0.15 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.99 1jce h PRO 311 Cb 0.74 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 1jce h PRO 311 CO 0.70 0.03 -1.66 -0.07 -0.23 0.00 0.00 178.00 176.76 1jce h LEU 312 N 0.00 0.00 0.00 1.56 3.38 -1.92 -3.05 115.31 115.28 1jce h LEU 312 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jce h LEU 312 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jce h LEU 312 CO 0.00 0.99 -0.94 0.35 0.09 0.00 0.00 178.44 178.93 1jce n THR 313 N -3.06 0.00 -0.19 0.22 -2.24 -1.20 -4.67 114.28 103.14 1jce n THR 313 Ca -0.16 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 1jce n THR 313 Cb 1.04 0.90 0.05 0.00 -2.10 0.00 0.00 70.33 70.22 1jce n THR 313 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jce h ALA 314 N 2.40 0.37 -0.18 6.98 0.00 -1.66 -1.87 119.26 125.30 1jce h ALA 314 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jce h ALA 314 Cb 0.46 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jce h ALA 314 CO 0.00 -0.43 0.12 0.28 0.00 0.00 0.00 179.25 179.22 1jce h VAL 315 N -0.00 1.05 -0.60 0.00 2.07 -1.83 -0.35 116.25 116.59 1jce h VAL 315 Ca 0.27 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1jce h VAL 315 Cb 0.42 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1jce h VAL 315 CO -0.59 0.05 0.25 0.00 0.02 0.00 0.00 177.57 177.30 1jce h ALA 316 N 1.06 0.77 -0.31 1.67 0.00 -1.80 -1.03 119.26 119.62 1jce h ALA 316 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jce h ALA 316 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1jce h ALA 316 CO -0.01 0.38 0.19 0.87 0.00 0.00 0.00 179.25 180.68 1jce h LYS 317 N 0.82 0.39 -0.48 0.00 1.57 -1.16 -2.54 116.57 115.17 1jce h LYS 317 Ca 0.20 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1jce h LYS 317 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1jce h LYS 317 CO -0.02 0.26 0.07 0.78 -0.57 0.00 0.00 179.45 179.97 1jce h GLY 318 N 0.40 0.81 1.05 3.86 0.00 -0.80 -2.82 103.07 105.58 1jce h GLY 318 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1jce h GLY 318 CO -0.04 0.46 0.31 0.00 0.00 0.00 0.00 176.54 177.27 1jce h ALA 319 N 1.35 1.03 0.00 3.60 0.00 -0.94 -1.14 119.26 123.17 1jce h ALA 319 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jce h ALA 319 Cb 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jce h ALA 319 CO 0.01 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1jce n GLY 320 N -0.86 1.45 2.97 0.00 0.00 -0.98 -4.21 105.19 103.55 1jce n GLY 320 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1jce n GLY 320 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jce n VAL 322 N 0.55 0.00 0.27 1.61 3.14 -0.43 -4.47 118.33 119.00 1jce n VAL 322 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 1jce n VAL 322 Cb 0.35 0.00 0.75 0.00 -1.06 0.00 0.00 33.84 33.88 1jce n VAL 322 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jce h LEU 323 N 0.00 0.00 -3.80 6.55 3.38 -1.85 -2.16 115.31 117.43 1jce h LEU 323 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1jce h LEU 323 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1jce h LEU 323 CO 0.00 0.10 0.54 0.47 0.09 0.00 0.00 178.44 179.65 1jce n ASP 324 N -3.54 3.88 -3.28 -0.43 8.00 -1.26 -4.56 116.55 115.35 1jce n ASP 324 Ca -0.02 -3.42 -0.25 0.00 0.71 0.00 0.00 54.79 51.81 1jce n ASP 324 Cb 0.24 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 1jce n ASP 324 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jce n LYS 325 N -0.85 0.42 -0.34 -1.24 5.02 -0.81 -5.01 118.16 115.35 1jce n LYS 325 Ca 0.52 -3.15 0.22 0.00 -2.02 0.00 0.00 58.31 53.88 1jce n LYS 325 Cb 1.54 -1.47 0.45 0.00 -0.02 0.00 0.00 35.03 35.53 1jce n LYS 325 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1jce h VAL 326 N 3.48 0.41 -0.59 -0.18 -1.51 -1.80 0.24 116.25 116.30 1jce h VAL 326 Ca 0.17 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 1jce h VAL 326 Cb 0.90 -0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.98 1jce h VAL 326 CO 0.40 0.08 0.34 -1.13 -1.23 0.00 0.00 177.57 176.03 1jce h ASN 327 N 0.43 0.73 0.08 4.19 -0.00 -1.94 0.59 115.58 119.66 1jce h ASN 327 Ca 0.69 -0.08 -0.13 0.00 -0.00 0.00 0.00 56.30 56.78 1jce h ASN 327 Cb 1.50 -0.18 0.01 0.00 -0.00 0.00 0.00 38.32 39.65 1jce h ASN 327 CO -0.52 0.60 -0.55 0.40 -0.00 0.00 0.00 177.43 177.36 1jce h ILE 328 N 0.80 1.58 -0.36 2.57 2.04 -1.53 -3.35 117.51 119.25 1jce h ILE 328 Ca 0.21 -2.40 0.06 0.00 1.00 0.00 0.00 64.86 63.73 1jce h ILE 328 Cb 0.02 3.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.21 1jce h ILE 328 CO -0.04 0.67 0.01 0.25 0.00 0.00 0.00 178.15 179.04 1jce h LEU 329 N -0.51 -0.13 -2.22 1.44 6.46 -0.53 -1.83 115.31 117.99 1jce h LEU 329 Ca -0.09 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1jce h LEU 329 Cb 1.40 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.47 1jce h LEU 329 CO 0.10 -0.03 0.26 0.07 -0.62 0.00 0.00 178.44 178.22 1jce h LYS 330 N 0.11 0.00 0.00 1.25 2.10 -1.01 0.51 116.57 119.53 1jce h LYS 330 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1jce h LYS 330 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1jce h LYS 330 CO -0.29 0.00 -0.89 1.17 -2.00 0.00 0.00 179.45 177.45 1jce n LYS 331 N -2.95 0.13 -2.51 0.07 3.00 -0.69 -4.93 118.16 110.27 1jce n LYS 331 Ca -0.02 -0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 57.89 1jce n LYS 331 Cb 0.32 -1.54 -0.04 0.00 0.00 0.00 0.00 35.03 33.77 1jce n LYS 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jce s LEU 332 N -3.39 4.41 0.32 3.14 1.43 0.17 -5.00 118.68 119.76 1jce s LEU 332 Ca 0.07 2.17 -0.28 0.00 -1.03 0.00 0.00 54.13 55.06 1jce s LEU 332 Cb 0.16 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 1jce s LEU 332 CO 0.79 -0.25 1.15 -1.58 0.23 0.00 0.00 176.35 176.69 1jce s GLN 333 N -1.80 4.43 0.27 1.70 0.74 -1.26 -4.86 119.66 118.88 1jce s GLN 333 Ca 0.49 1.86 0.05 0.00 0.05 0.00 0.00 55.36 57.81 1jce s GLN 333 Cb -0.28 -3.01 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 1jce s GLN 333 CO 0.36 0.00 0.27 0.41 -0.55 0.00 0.00 175.29 175.77 1jce n GLY 334 N 0.93 2.94 3.36 2.59 0.00 -1.26 -1.60 105.19 112.15 1jce n GLY 334 Ca 0.01 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1jce n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jce s ALA 335 N -2.98 -1.20 0.00 4.61 0.00 -0.58 -4.99 121.76 116.61 1jce s ALA 335 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1jce s ALA 335 Cb 0.01 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1jce s ALA 335 CO 0.22 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.76