#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eec s SER 2 N 0.00 -0.20 0.24 1.61 1.04 -1.26 -5.19 113.70 109.94 2eec s SER 2 Ca 0.00 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.02 2eec s SER 2 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2eec s SER 2 CO 0.00 -0.76 0.47 -0.94 0.98 0.00 0.00 173.24 172.99 2eec s SER 3 N -2.84 -0.09 0.50 7.02 1.04 -1.26 -5.18 113.70 112.89 2eec s SER 3 Ca 0.11 -0.91 0.07 0.00 0.48 0.00 0.00 55.95 55.70 2eec s SER 3 Cb -0.01 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.73 2eec s SER 3 CO -0.01 -1.13 0.51 -0.83 0.98 0.00 0.00 173.24 172.76 2eec s GLY 4 N -3.01 2.10 0.31 7.32 0.00 -1.26 -5.14 107.32 107.64 2eec s GLY 4 Ca 0.22 -1.72 0.09 0.00 0.00 0.00 0.00 44.72 43.31 2eec s GLY 4 CO 0.08 -1.76 0.02 -0.56 0.00 0.00 0.00 173.10 170.88 2eec s SER 5 N -4.34 4.37 -0.30 1.64 0.01 -1.26 -5.14 113.70 108.68 2eec s SER 5 Ca 0.47 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 2eec s SER 5 Cb -0.04 -0.66 0.13 0.00 0.21 0.00 0.00 66.02 65.66 2eec s SER 5 CO 0.29 -0.16 0.66 -0.94 0.41 0.00 0.00 173.24 173.50 2eec s SER 6 N -3.72 -1.14 0.00 2.44 1.04 -1.26 -5.17 113.70 105.89 2eec s SER 6 Ca 0.34 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2eec s SER 6 Cb -0.03 2.29 0.00 0.00 0.10 0.00 0.00 66.02 68.38 2eec s SER 6 CO 0.20 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2eec n GLY 7 N 5.44 4.31 2.94 7.32 0.00 -1.26 -5.16 105.19 118.78 2eec n GLY 7 Ca -0.12 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 2eec n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2eec s PHE 8 N -1.46 -0.38 -0.37 1.61 0.08 -1.26 -5.11 117.98 111.09 2eec s PHE 8 Ca 0.00 0.80 0.03 0.00 0.12 0.00 0.00 56.93 57.89 2eec s PHE 8 Cb 0.00 -0.12 0.11 0.00 -0.57 0.00 0.00 43.02 42.44 2eec s PHE 8 CO 0.00 -0.39 0.10 0.15 -0.10 0.00 0.00 175.22 174.98 2eec s LYS 9 N 2.39 1.42 0.00 0.44 -0.14 -1.26 -5.09 119.74 117.51 2eec s LYS 9 Ca 0.03 -1.87 0.03 0.00 -1.36 0.00 0.00 55.97 52.80 2eec s LYS 9 Cb -0.13 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.04 2eec s LYS 9 CO -0.09 -0.99 -0.10 0.54 -0.76 0.00 0.00 175.35 173.95 2eec s VAL 10 N 0.80 0.79 0.18 3.17 0.11 -1.26 -5.15 120.40 119.04 2eec s VAL 10 Ca 0.12 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 58.55 2eec s VAL 10 Cb -0.20 -0.68 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 2eec s VAL 10 CO -0.09 0.13 0.44 -0.13 -3.33 0.00 0.00 175.10 172.12 2eec s ARG 11 N -0.48 3.67 -0.71 1.54 0.52 -1.26 -5.00 118.95 117.23 2eec s ARG 11 Ca 0.02 0.02 -0.26 0.00 -0.52 0.00 0.00 55.73 55.00 2eec s ARG 11 Cb -0.05 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2eec s ARG 11 CO -0.00 0.40 1.91 0.08 0.02 0.00 0.00 175.30 177.71 2eec s VAL 12 N -1.75 3.37 -0.99 3.52 1.01 -1.26 -4.79 120.40 119.52 2eec s VAL 12 Ca 0.43 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.51 2eec s VAL 12 Cb -0.12 -3.93 0.44 0.00 0.00 0.00 0.00 36.38 32.77 2eec s VAL 12 CO 0.24 -0.90 1.23 0.61 0.00 0.00 0.00 175.10 176.29 2eec n GLY 13 N 6.10 1.94 3.31 4.51 0.00 -1.26 -4.88 105.19 114.90 2eec n GLY 13 Ca 0.27 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 2eec n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eec s GLU 14 N -1.84 1.20 0.36 1.61 2.02 -1.26 -5.03 118.70 115.77 2eec s GLU 14 Ca 0.30 -1.36 0.27 0.00 0.02 0.00 0.00 54.97 54.21 2eec s GLU 14 Cb 0.21 -1.22 1.13 0.00 0.10 0.00 0.00 34.13 34.35 2eec s GLU 14 CO 0.12 0.25 1.81 -1.00 0.02 0.00 0.00 175.26 176.46 2eec h PRO 15 N 3.35 0.00 0.00 0.39 0.13 -2.04 -3.47 132.00 130.35 2eec h PRO 15 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2eec h PRO 15 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2eec h PRO 15 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 2eec n GLY 16 N -0.02 2.08 3.43 1.56 0.00 -1.26 -4.89 105.19 106.08 2eec n GLY 16 Ca 0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2eec n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2eec s GLN 17 N 0.00 2.33 -0.28 1.61 0.74 -1.26 -5.12 119.66 117.68 2eec s GLN 17 Ca 0.00 -0.80 -0.16 0.00 0.05 0.00 0.00 55.36 54.44 2eec s GLN 17 Cb 0.00 -2.26 0.09 0.00 1.10 0.00 0.00 33.01 31.94 2eec s GLN 17 CO 0.00 0.59 0.75 0.00 -0.55 0.00 0.00 175.29 176.08 2eec s ALA 18 N -0.74 -1.95 -0.93 1.58 0.00 -1.26 -5.08 121.76 113.38 2eec s ALA 18 Ca 0.12 2.36 -0.25 0.00 0.00 0.00 0.00 51.96 54.19 2eec s ALA 18 Cb -0.10 -1.47 -0.22 0.00 0.00 0.00 0.00 23.12 21.32 2eec s ALA 18 CO 0.01 -0.37 2.42 0.41 0.00 0.00 0.00 175.76 178.23 2eec n GLY 19 N 4.11 -0.45 2.87 0.00 0.00 -1.26 -4.85 105.19 105.61 2eec n GLY 19 Ca -0.19 0.90 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 2eec n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2eec s ASN 20 N 7.01 4.10 0.37 1.61 3.84 -1.26 -4.98 114.94 125.63 2eec s ASN 20 Ca 1.25 -1.58 0.16 0.00 0.21 0.00 0.00 52.86 52.90 2eec s ASN 20 Cb -1.11 -1.14 0.72 0.00 -0.55 0.00 0.00 41.25 39.17 2eec s ASN 20 CO 0.46 -0.35 1.78 1.55 -2.79 0.00 0.00 177.10 177.76 2eec h PRO 21 N 7.93 0.00 -0.51 0.43 0.13 -1.89 -3.12 132.00 134.98 2eec h PRO 21 Ca -0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2eec h PRO 21 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2eec h PRO 21 CO 0.46 0.39 0.17 0.00 -0.23 0.00 0.00 178.00 178.79 2eec h ALA 22 N 1.61 0.67 -0.89 -0.56 0.00 -1.94 -2.56 119.26 115.59 2eec h ALA 22 Ca -0.00 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.96 2eec h ALA 22 Cb 0.79 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2eec h ALA 22 CO 0.05 0.31 0.61 -0.07 0.00 0.00 0.00 179.25 180.15 2eec h LEU 23 N 0.69 0.23 -9.45 0.00 3.38 -1.96 -3.39 115.31 104.81 2eec h LEU 23 Ca 0.17 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.57 2eec h LEU 23 Cb 0.25 -0.02 0.05 0.00 0.09 0.00 0.00 40.66 41.03 2eec h LEU 23 CO -0.01 0.08 0.86 0.52 0.09 0.00 0.00 178.44 179.98 2eec n VAL 24 N -4.42 0.13 -4.31 1.22 0.31 -0.96 -4.82 118.33 105.49 2eec n VAL 24 Ca 0.19 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.27 2eec n VAL 24 Cb 0.81 -1.59 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 2eec n VAL 24 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2eec s SER 25 N 1.62 2.59 -0.02 4.52 0.01 -1.08 -4.40 113.70 116.94 2eec s SER 25 Ca 0.82 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2eec s SER 25 Cb -0.69 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.41 2eec s SER 25 CO 0.41 -0.01 0.01 0.00 0.41 0.00 0.00 173.24 174.06 2eec s ALA 26 N -1.74 0.17 0.13 1.44 0.00 -1.26 -0.56 121.76 119.93 2eec s ALA 26 Ca 0.12 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 2eec s ALA 26 Cb -0.07 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2eec s ALA 26 CO 0.06 -0.05 0.52 1.52 0.00 0.00 0.00 175.76 177.81 2eec s TYR 27 N 0.67 -0.40 -3.88 0.00 -0.85 -1.14 -5.04 117.35 106.72 2eec s TYR 27 Ca -0.06 0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.70 2eec s TYR 27 Cb -0.09 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.67 2eec s TYR 27 CO -0.02 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 2eec n GLY 28 N -0.19 -0.54 0.00 5.49 0.00 -1.26 -1.47 105.19 107.23 2eec n GLY 28 Ca -0.17 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.23 2eec n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2eec n THR 29 N 6.98 0.00 0.11 2.61 -1.04 -1.14 -4.50 114.28 117.30 2eec n THR 29 Ca 0.00 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.74 2eec n THR 29 Cb 0.00 0.31 0.16 0.00 -1.82 0.00 0.00 70.33 68.98 2eec n THR 29 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2eec h GLY 30 N 1.96 0.14 2.00 3.41 0.00 -1.86 -2.95 103.07 105.77 2eec h GLY 30 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2eec h GLY 30 CO 0.00 0.15 -0.17 1.41 0.00 0.00 0.00 176.54 177.93 2eec h LEU 31 N 0.09 0.00 -0.73 3.11 3.38 -1.90 -3.23 115.31 116.04 2eec h LEU 31 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2eec h LEU 31 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2eec h LEU 31 CO 0.08 0.17 0.43 -0.33 0.09 0.00 0.00 178.44 178.89 2eec h GLU 32 N 0.00 0.78 0.00 1.13 4.39 -1.74 -3.47 114.58 115.67 2eec h GLU 32 Ca -0.00 -0.05 0.22 0.00 0.34 0.00 0.00 59.36 59.87 2eec h GLU 32 Cb 0.95 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2eec h GLU 32 CO 0.02 0.51 0.62 0.41 -1.16 0.00 0.00 179.01 179.42 2eec n GLY 33 N -1.30 0.44 3.27 -3.84 0.00 -1.22 -4.93 105.19 97.61 2eec n GLY 33 Ca 0.09 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2eec n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eec s GLY 34 N -3.43 1.94 -0.47 -0.02 0.00 -0.59 -4.76 107.32 99.99 2eec s GLY 34 Ca 0.21 -2.05 -0.14 0.00 0.00 0.00 0.00 44.72 42.75 2eec s GLY 34 CO 0.01 0.92 0.37 -1.59 0.00 0.00 0.00 173.10 172.81 2eec s THR 35 N 1.41 4.97 -0.47 0.90 2.01 -1.26 -2.33 115.64 120.88 2eec s THR 35 Ca 0.02 -1.20 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 2eec s THR 35 Cb -0.22 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2eec s THR 35 CO 0.02 -0.59 1.51 -0.89 -0.69 0.00 0.00 174.62 173.97 2eec s THR 36 N 1.58 3.76 0.00 -0.82 2.01 -1.25 -2.63 115.64 118.28 2eec s THR 36 Ca 0.04 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2eec s THR 36 Cb -0.25 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.09 2eec s THR 36 CO 0.05 -0.86 0.00 0.61 -0.69 0.00 0.00 174.62 173.73 2eec n GLY 37 N 5.24 1.91 3.54 4.40 0.00 -1.09 -4.88 105.19 114.30 2eec n GLY 37 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2eec n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eec s ILE 38 N -1.97 3.27 -0.40 -0.61 1.01 -1.08 -5.07 121.20 116.35 2eec s ILE 38 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2eec s ILE 38 Cb 0.00 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.07 2eec s ILE 38 CO 0.00 0.35 0.61 -1.58 0.00 0.00 0.00 174.94 174.32 2eec s GLN 39 N -1.48 3.44 0.17 2.79 0.74 -1.26 -4.50 119.66 119.56 2eec s GLN 39 Ca 0.16 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.37 2eec s GLN 39 Cb -0.11 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2eec s GLN 39 CO 0.07 -0.86 0.28 -1.54 -0.55 0.00 0.00 175.29 172.69 2eec s SER 40 N 1.89 6.20 0.01 6.67 1.04 -1.22 -4.98 113.70 123.30 2eec s SER 40 Ca 0.22 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 2eec s SER 40 Cb -0.15 -1.82 0.01 0.00 0.10 0.00 0.00 66.02 64.16 2eec s SER 40 CO 0.17 0.02 0.18 -1.83 0.98 0.00 0.00 173.24 172.76 2eec s GLU 41 N -3.40 0.56 -0.03 4.02 1.03 -1.26 -2.61 118.70 117.01 2eec s GLU 41 Ca 0.34 -0.41 -0.03 0.00 0.03 0.00 0.00 54.97 54.90 2eec s GLU 41 Cb -0.10 0.23 0.01 0.00 -0.80 0.00 0.00 34.13 33.47 2eec s GLU 41 CO 0.28 -0.14 0.08 -0.59 -1.33 0.00 0.00 175.26 173.56 2eec s PHE 42 N -1.59 -0.09 0.35 4.83 -0.12 -1.15 -2.90 117.98 117.32 2eec s PHE 42 Ca -0.13 0.22 -0.16 0.00 -0.05 0.00 0.00 56.93 56.81 2eec s PHE 42 Cb -0.06 0.02 -0.09 0.00 -0.63 0.00 0.00 43.02 42.26 2eec s PHE 42 CO 0.01 -0.05 0.79 -0.06 -0.05 0.00 0.00 175.22 175.86 2eec s PHE 43 N 0.10 3.36 -0.33 3.49 0.08 -0.54 -3.44 117.98 120.69 2eec s PHE 43 Ca -0.00 1.31 -0.01 0.00 0.12 0.00 0.00 56.93 58.34 2eec s PHE 43 Cb -0.01 -2.61 0.07 0.00 -0.57 0.00 0.00 43.02 39.90 2eec s PHE 43 CO -0.00 0.04 0.06 0.42 -0.10 0.00 0.00 175.22 175.64 2eec s ILE 44 N -2.04 2.97 -0.47 0.64 1.01 -1.23 -2.87 121.20 119.21 2eec s ILE 44 Ca 0.56 -1.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 2eec s ILE 44 Cb -0.10 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2eec s ILE 44 CO 0.17 -0.33 1.95 0.21 0.00 0.00 0.00 174.94 176.94 2eec s ASN 45 N 1.38 5.36 -0.10 3.58 2.47 0.28 -4.18 114.94 123.73 2eec s ASN 45 Ca 0.00 0.88 0.16 0.00 0.42 0.00 0.00 52.86 54.32 2eec s ASN 45 Cb -0.21 -2.52 0.36 0.00 -1.45 0.00 0.00 41.25 37.43 2eec s ASN 45 CO -0.03 -2.21 1.17 0.35 -3.72 0.00 0.00 177.10 172.66 2eec n THR 46 N 7.44 1.14 0.09 -5.21 -2.24 -1.24 -2.63 114.28 111.63 2eec n THR 46 Ca 0.24 -1.97 -0.23 0.00 -2.27 0.00 0.00 64.05 59.83 2eec n THR 46 Cb 0.50 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 2eec n THR 46 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2eec h THR 47 N 3.67 1.05 0.06 4.28 1.35 -1.86 -2.81 112.91 118.65 2eec h THR 47 Ca -0.08 -2.60 -0.24 0.00 -0.55 0.00 0.00 66.41 62.94 2eec h THR 47 Cb 1.36 2.84 -0.00 0.00 -1.73 0.00 0.00 68.15 70.62 2eec h THR 47 CO 0.04 0.84 -1.08 0.03 -0.25 0.00 0.00 175.52 175.10 2eec h ARG 48 N 0.11 0.27 0.39 4.72 2.47 -1.92 -3.35 114.38 117.07 2eec h ARG 48 Ca -0.31 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.02 2eec h ARG 48 Cb 2.11 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.56 2eec h ARG 48 CO 0.20 1.12 -0.19 0.00 0.56 0.00 0.00 179.97 181.67 2eec h ALA 49 N 0.73 -0.52 0.00 0.04 0.00 -1.85 -3.47 119.26 114.19 2eec h ALA 49 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2eec h ALA 49 Cb 1.76 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2eec h ALA 49 CO 0.17 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.32 2eec n GLY 50 N 0.25 3.20 0.00 0.00 0.00 -1.06 -4.67 105.19 102.92 2eec n GLY 50 Ca -0.08 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.25 2eec n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eec n PRO 51 N -1.92 0.49 -0.92 1.61 -0.04 -1.26 -4.79 135.00 128.17 2eec n PRO 51 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2eec n PRO 51 Cb 0.00 -1.43 0.07 0.00 -0.04 0.00 0.00 33.50 32.10 2eec n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eec n GLY 52 N -0.02 -3.12 3.79 0.55 0.00 -1.26 -4.90 105.19 100.22 2eec n GLY 52 Ca 0.10 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2eec n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eec s THR 53 N -2.07 3.57 0.13 2.61 2.01 -1.26 -5.00 115.64 115.62 2eec s THR 53 Ca 0.42 0.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.02 2eec s THR 53 Cb -0.01 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2eec s THR 53 CO 0.69 -0.55 0.10 -1.48 -0.69 0.00 0.00 174.62 172.68 2eec s LEU 54 N -5.21 1.66 -0.01 4.42 -0.00 -1.26 -3.55 118.68 114.74 2eec s LEU 54 Ca 0.63 -1.12 -0.05 0.00 -0.00 0.00 0.00 54.13 53.59 2eec s LEU 54 Cb -0.17 0.48 0.00 0.00 -0.00 0.00 0.00 46.19 46.50 2eec s LEU 54 CO 0.47 -0.75 0.10 -0.44 -0.00 0.00 0.00 176.35 175.73 2eec s SER 55 N -3.02 0.03 -0.07 1.48 0.01 -0.48 -5.00 113.70 106.65 2eec s SER 55 Ca 0.21 -0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 2eec s SER 55 Cb 0.07 0.20 0.04 0.00 0.21 0.00 0.00 66.02 66.53 2eec s SER 55 CO 0.00 -0.27 0.13 0.54 0.41 0.00 0.00 173.24 174.05 2eec s VAL 56 N -1.01 -0.16 0.00 3.43 0.11 -1.26 -2.48 120.40 119.02 2eec s VAL 56 Ca -0.11 0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2eec s VAL 56 Cb -0.06 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2eec s VAL 56 CO 0.01 0.13 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.88 2eec s THR 57 N 1.84 1.05 -0.08 5.04 2.01 -0.98 -5.01 115.64 119.52 2eec s THR 57 Ca -0.01 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2eec s THR 57 Cb -0.12 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2eec s THR 57 CO -0.05 0.23 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.31 2eec s ILE 58 N -0.42 1.48 0.49 1.82 1.01 -1.26 -0.76 121.20 123.56 2eec s ILE 58 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.06 2eec s ILE 58 Cb -0.06 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2eec s ILE 58 CO -0.00 0.43 0.21 -1.61 0.00 0.00 0.00 174.94 173.97 2eec s GLU 59 N 0.51 2.23 0.00 2.79 0.41 0.60 -4.94 118.70 120.30 2eec s GLU 59 Ca -0.15 -2.06 0.00 0.00 -0.41 0.00 0.00 54.97 52.34 2eec s GLU 59 Cb -0.16 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 2eec s GLU 59 CO 0.05 -0.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 2eec n GLY 60 N -1.43 2.20 0.25 -1.39 0.00 -1.26 -2.75 105.19 100.80 2eec n GLY 60 Ca -0.06 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.61 2eec n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eec h PRO 61 N 0.00 0.00 -3.49 1.61 0.13 -1.90 -3.41 132.00 124.94 2eec h PRO 61 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 2eec h PRO 61 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2eec h PRO 61 CO 0.00 0.00 -0.76 -1.12 -0.23 0.00 0.00 178.00 175.89 2eec s SER 62 N -5.33 1.85 1.06 1.44 0.01 -1.26 -5.11 113.70 106.35 2eec s SER 62 Ca 0.02 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 2eec s SER 62 Cb 0.09 -0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.01 2eec s SER 62 CO 0.50 -0.25 0.02 0.29 0.41 0.00 0.00 173.24 174.21 2eec n LYS 63 N 5.18 -1.08 -3.78 12.44 4.76 -1.26 -4.86 118.16 129.56 2eec n LYS 63 Ca -0.06 -0.29 -0.13 0.00 -2.87 0.00 0.00 58.31 54.96 2eec n LYS 63 Cb 0.49 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 2eec n LYS 63 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2eec s VAL 64 N -2.26 0.00 -0.71 -0.18 -7.23 -1.26 -4.71 120.40 104.05 2eec s VAL 64 Ca 0.55 -0.01 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 2eec s VAL 64 Cb -0.14 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 2eec s VAL 64 CO 0.67 -0.00 2.04 -0.75 -0.31 0.00 0.00 175.10 176.75 2eec s LYS 65 N 0.13 2.39 0.14 4.82 2.47 -1.26 -4.95 119.74 123.48 2eec s LYS 65 Ca -0.00 0.44 -0.28 0.00 -1.56 0.00 0.00 55.97 54.57 2eec s LYS 65 Cb -0.02 -4.68 -0.07 0.00 -1.46 0.00 0.00 37.83 31.60 2eec s LYS 65 CO 0.00 -3.24 0.87 -1.64 0.16 0.00 0.00 175.35 171.51 2eec s MET 66 N 7.45 4.66 0.09 4.03 -1.94 -1.26 -4.40 119.30 127.93 2eec s MET 66 Ca 0.76 1.31 0.08 0.00 -1.71 0.00 0.00 55.69 56.13 2eec s MET 66 Cb -0.11 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 2eec s MET 66 CO 0.13 0.38 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.80 2eec s ASP 67 N -0.53 2.52 -0.05 3.03 1.11 -0.88 -5.01 116.67 116.87 2eec s ASP 67 Ca 0.41 -0.65 -0.02 0.00 0.18 0.00 0.00 52.55 52.48 2eec s ASP 67 Cb -0.23 -0.15 0.04 0.00 1.07 0.00 0.00 42.92 43.64 2eec s ASP 67 CO 0.28 0.08 0.09 0.00 1.18 0.00 0.00 175.17 176.81 2eec s GLN 69 N 1.35 1.12 -0.41 0.00 0.74 -1.17 -5.01 119.66 116.26 2eec s GLN 69 Ca -0.07 -1.23 -0.26 0.00 0.05 0.00 0.00 55.36 53.85 2eec s GLN 69 Cb -0.12 -1.21 0.02 0.00 1.10 0.00 0.00 33.01 32.80 2eec s GLN 69 CO -0.05 0.26 0.97 -2.00 -0.55 0.00 0.00 175.29 173.93 2eec s GLU 70 N -2.32 3.74 0.15 1.67 2.12 -1.26 -3.23 118.70 119.57 2eec s GLU 70 Ca 0.09 0.48 0.09 0.00 0.36 0.00 0.00 54.97 55.99 2eec s GLU 70 Cb -0.08 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2eec s GLU 70 CO 0.04 -1.10 -0.15 0.95 -0.54 0.00 0.00 175.26 174.46 2eec s THR 71 N 3.74 2.97 -0.32 -1.70 -4.23 -1.19 -5.01 115.64 109.90 2eec s THR 71 Ca 0.40 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.57 2eec s THR 71 Cb -0.11 -2.41 0.29 0.00 1.34 0.00 0.00 72.50 71.61 2eec s THR 71 CO 0.23 -0.00 1.79 1.55 -0.54 0.00 0.00 174.62 177.64 2eec h PRO 72 N 3.34 0.00 0.00 3.99 0.13 -2.02 -2.69 132.00 134.75 2eec h PRO 72 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2eec h PRO 72 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2eec h PRO 72 CO 0.50 0.00 -1.68 -1.91 -0.23 0.00 0.00 178.00 174.68 2eec n GLU 73 N -2.46 0.64 0.00 0.86 2.13 -1.26 -5.05 120.64 115.50 2eec n GLU 73 Ca 0.02 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2eec n GLU 73 Cb 0.24 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.31 2eec n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2eec n GLY 74 N 1.31 -1.11 3.29 8.31 0.00 -1.02 -3.69 105.19 112.29 2eec n GLY 74 Ca -0.07 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 2eec n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eec s TYR 75 N 0.00 -0.68 -0.02 1.61 2.02 -1.26 -3.20 117.35 115.83 2eec s TYR 75 Ca 0.00 1.39 -0.17 0.00 -0.37 0.00 0.00 57.07 57.92 2eec s TYR 75 Cb 0.00 0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.80 2eec s TYR 75 CO 0.00 -0.39 0.48 0.21 -1.57 0.00 0.00 175.55 174.28 2eec s LYS 76 N 1.76 4.15 -0.14 -0.62 2.47 -1.20 -3.51 119.74 122.65 2eec s LYS 76 Ca -0.07 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.87 2eec s LYS 76 Cb -0.09 -3.30 0.02 0.00 -1.46 0.00 0.00 37.83 33.00 2eec s LYS 76 CO -0.13 0.49 -0.14 0.08 0.16 0.00 0.00 175.35 175.81 2eec s VAL 77 N -0.48 1.55 -0.13 4.02 1.01 -1.22 -3.07 120.40 122.07 2eec s VAL 77 Ca 0.26 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2eec s VAL 77 Cb -0.17 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2eec s VAL 77 CO 0.14 0.45 -0.21 -0.04 0.00 0.00 0.00 175.10 175.44 2eec s MET 78 N 1.45 3.06 -0.05 2.72 1.00 -1.16 -2.93 119.30 123.38 2eec s MET 78 Ca 0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 55.69 54.87 2eec s MET 78 Cb -0.13 -2.44 0.04 0.00 0.00 0.00 0.00 34.83 32.30 2eec s MET 78 CO -0.10 0.03 0.11 1.52 0.00 0.00 0.00 175.02 176.59 2eec s TYR 79 N 0.71 -0.11 -0.27 -0.03 -0.85 -1.07 -2.08 117.35 113.64 2eec s TYR 79 Ca -0.09 0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.87 2eec s TYR 79 Cb -0.16 -0.13 0.07 0.00 0.38 0.00 0.00 41.96 42.12 2eec s TYR 79 CO 0.01 -0.14 -0.08 0.99 -1.52 0.00 0.00 175.55 174.80 2eec s THR 80 N 1.14 2.19 0.54 -3.49 2.01 -1.26 -3.45 115.64 113.33 2eec s THR 80 Ca -0.09 -1.75 -0.20 0.00 0.31 0.00 0.00 61.69 59.97 2eec s THR 80 Cb -0.12 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 2eec s THR 80 CO -0.05 -0.12 1.13 -2.16 -0.69 0.00 0.00 174.62 172.73 2eec s PRO 81 N 1.07 3.38 -0.06 4.92 0.04 -1.26 -4.57 135.00 138.53 2eec s PRO 81 Ca -0.06 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.66 2eec s PRO 81 Cb -0.20 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2eec s PRO 81 CO -0.05 -0.83 0.04 -0.12 0.04 0.00 0.00 177.00 176.08 2eec n MET 82 N -1.25 2.48 -4.64 4.56 1.56 -1.26 -2.68 117.12 115.90 2eec n MET 82 Ca 0.11 -0.01 -0.25 0.00 -0.27 0.00 0.00 57.70 57.28 2eec n MET 82 Cb 0.51 -1.17 -0.14 0.00 2.15 0.00 0.00 33.22 34.57 2eec n MET 82 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2eec s ALA 83 N -2.21 1.65 0.98 -5.12 0.00 -1.26 -3.77 121.76 112.02 2eec s ALA 83 Ca -0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2eec s ALA 83 Cb 0.02 -0.33 0.18 0.00 0.00 0.00 0.00 23.12 22.99 2eec s ALA 83 CO 0.27 0.37 1.09 -1.25 0.00 0.00 0.00 175.76 176.24 2eec s PRO 84 N -1.06 0.57 0.00 0.00 0.04 -1.26 -4.83 135.00 128.45 2eec s PRO 84 Ca 0.07 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2eec s PRO 84 Cb -0.08 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2eec s PRO 84 CO 0.01 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.81 2eec n GLY 85 N -1.08 0.87 3.67 0.56 0.00 -1.12 -4.87 105.19 103.21 2eec n GLY 85 Ca 0.06 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 2eec n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eec s ASN 86 N -4.00 6.45 0.11 1.61 4.22 -1.26 -2.37 114.94 119.70 2eec s ASN 86 Ca 0.00 0.53 0.10 0.00 -2.14 0.00 0.00 52.86 51.35 2eec s ASN 86 Cb 0.00 -2.23 -0.04 0.00 1.28 0.00 0.00 41.25 40.26 2eec s ASN 86 CO 0.00 -0.07 -0.22 -0.31 -2.04 0.00 0.00 177.10 174.47 2eec s TYR 87 N 1.25 2.45 -0.05 1.54 1.51 -1.10 -4.19 117.35 118.76 2eec s TYR 87 Ca 0.19 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2eec s TYR 87 Cb -0.15 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 2eec s TYR 87 CO 0.08 0.34 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.56 2eec s LEU 88 N -2.00 1.80 -0.25 -1.29 2.96 -1.11 -2.83 118.68 115.95 2eec s LEU 88 Ca 0.16 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2eec s LEU 88 Cb -0.10 -0.83 0.05 0.00 0.50 0.00 0.00 46.19 45.81 2eec s LEU 88 CO 0.08 0.09 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.46 2eec s ILE 89 N 0.28 2.06 0.04 6.68 1.01 -0.91 -0.29 121.20 130.08 2eec s ILE 89 Ca -0.07 -1.49 -0.09 0.00 0.00 0.00 0.00 60.65 59.00 2eec s ILE 89 Cb -0.12 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 2eec s ILE 89 CO 0.02 0.03 0.34 -0.44 0.00 0.00 0.00 174.94 174.90 2eec s SER 90 N 1.17 6.59 -0.24 3.58 0.01 0.06 -2.60 113.70 122.27 2eec s SER 90 Ca -0.07 0.70 -0.02 0.00 1.31 0.00 0.00 55.95 57.87 2eec s SER 90 Cb -0.19 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 63.97 2eec s SER 90 CO -0.06 0.23 0.07 -0.69 0.41 0.00 0.00 173.24 173.20 2eec s VAL 91 N -1.31 0.51 0.08 3.43 1.01 -1.26 -2.31 120.40 120.54 2eec s VAL 91 Ca 0.29 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2eec s VAL 91 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2eec s VAL 91 CO 0.16 -0.44 0.06 -0.54 0.00 0.00 0.00 175.10 174.34 2eec s LYS 92 N 1.84 2.81 -0.21 2.72 1.02 -1.03 -2.57 119.74 124.32 2eec s LYS 92 Ca 0.04 -0.71 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 2eec s LYS 92 Cb -0.17 -2.69 0.08 0.00 -0.52 0.00 0.00 37.83 34.53 2eec s LYS 92 CO -0.18 0.57 0.47 -0.47 -0.92 0.00 0.00 175.35 174.82 2eec s TYR 93 N -1.35 -0.81 0.00 3.18 6.14 -1.25 -1.39 117.35 121.87 2eec s TYR 93 Ca 0.28 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.58 2eec s TYR 93 Cb -0.12 0.38 0.00 0.00 0.42 0.00 0.00 41.96 42.64 2eec s TYR 93 CO 0.20 -0.45 0.00 0.41 0.64 0.00 0.00 175.55 176.35 2eec n GLY 94 N 4.80 1.57 0.00 8.97 0.00 -1.23 -4.70 105.19 114.60 2eec n GLY 94 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2eec n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eec n GLY 95 N 0.00 2.81 0.10 -0.02 0.00 -1.26 -5.01 105.19 101.81 2eec n GLY 95 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.42 2eec n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eec n PRO 96 N 0.00 0.15 -2.24 1.61 -0.04 -1.26 -4.73 135.00 128.48 2eec n PRO 96 Ca 0.00 0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 2eec n PRO 96 Cb 0.00 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 2eec n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2eec s ASN 97 N -3.97 6.87 0.64 3.54 0.01 -1.26 -4.99 114.94 115.78 2eec s ASN 97 Ca 0.05 2.09 -0.11 0.00 -0.71 0.00 0.00 52.86 54.18 2eec s ASN 97 Cb 0.09 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2eec s ASN 97 CO 0.36 -0.70 1.04 -1.38 -1.51 0.00 0.00 177.10 174.91 2eec s HIS 98 N 2.33 3.53 0.64 2.20 -3.43 -1.26 -3.88 115.29 115.42 2eec s HIS 98 Ca 0.63 1.28 -0.08 0.00 -0.80 0.00 0.00 55.06 56.09 2eec s HIS 98 Cb -0.31 -2.78 0.02 0.00 -1.43 0.00 0.00 32.58 28.08 2eec s HIS 98 CO 0.26 -0.81 0.97 0.96 -2.00 0.00 0.00 174.74 174.12 2eec s ILE 99 N -3.18 3.40 0.43 -5.38 -4.36 -1.06 -4.79 121.20 106.27 2eec s ILE 99 Ca 0.56 0.09 -0.26 0.00 -0.26 0.00 0.00 60.65 60.78 2eec s ILE 99 Cb -0.11 -3.39 -0.08 0.00 1.25 0.00 0.00 42.46 40.12 2eec s ILE 99 CO 0.54 -0.44 1.38 -0.69 0.24 0.00 0.00 174.94 175.97 2eec s VAL 100 N -3.13 2.29 0.00 8.37 1.01 -1.26 -2.70 120.40 124.97 2eec s VAL 100 Ca 0.56 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2eec s VAL 100 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2eec s VAL 100 CO 0.47 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2eec n GLY 101 N 0.61 2.79 3.90 4.51 0.00 -1.26 -4.87 105.19 110.87 2eec n GLY 101 Ca 0.05 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2eec n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eec s SER 102 N 0.48 6.14 0.83 1.61 0.01 -1.10 -4.42 113.70 117.25 2eec s SER 102 Ca 0.00 1.06 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 2eec s SER 102 Cb 0.00 -2.24 0.09 0.00 0.21 0.00 0.00 66.02 64.08 2eec s SER 102 CO 0.00 -0.75 1.09 -2.16 0.41 0.00 0.00 173.24 171.83 2eec s PRO 103 N -4.93 1.80 -0.26 12.44 0.04 -1.26 -4.88 135.00 137.95 2eec s PRO 103 Ca 0.51 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 2eec s PRO 103 Cb -0.11 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2eec s PRO 103 CO 0.48 -1.92 0.12 -0.06 0.04 0.00 0.00 177.00 175.66 2eec s PHE 104 N -2.92 3.14 -0.52 0.56 0.08 -1.07 -4.99 117.98 112.26 2eec s PHE 104 Ca 0.62 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.39 2eec s PHE 104 Cb -0.17 -2.28 0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2eec s PHE 104 CO 0.56 -0.26 0.40 0.21 -0.10 0.00 0.00 175.22 176.04 2eec s LYS 105 N 1.61 2.60 -0.09 0.44 2.47 -1.26 -2.13 119.74 123.38 2eec s LYS 105 Ca 0.06 -1.92 -0.04 0.00 -1.56 0.00 0.00 55.97 52.51 2eec s LYS 105 Cb -0.15 -3.96 -0.04 0.00 -1.46 0.00 0.00 37.83 32.22 2eec s LYS 105 CO 0.06 -1.21 0.10 0.00 0.16 0.00 0.00 175.35 174.46 2eec s ALA 106 N 1.10 3.68 -0.23 3.13 0.00 -1.13 -5.02 121.76 123.29 2eec s ALA 106 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 2eec s ALA 106 Cb -0.24 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2eec s ALA 106 CO -0.02 0.63 0.12 0.21 0.00 0.00 0.00 175.76 176.70 2eec s LYS 107 N -1.14 3.92 -0.18 0.00 2.47 -1.26 -2.73 119.74 120.82 2eec s LYS 107 Ca 0.16 -0.35 -0.08 0.00 -1.56 0.00 0.00 55.97 54.14 2eec s LYS 107 Cb -0.12 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 2eec s LYS 107 CO 0.06 0.01 0.10 0.08 0.16 0.00 0.00 175.35 175.76 2eec s VAL 108 N 1.14 5.16 0.29 4.02 1.01 -1.00 -1.54 120.40 129.48 2eec s VAL 108 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2eec s VAL 108 Cb -0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2eec s VAL 108 CO 0.04 0.47 0.01 0.35 0.00 0.00 0.00 175.10 175.97 2eec n THR 109 N 3.31 0.00 -1.40 3.92 -2.24 -0.98 -2.80 114.28 114.09 2eec n THR 109 Ca -0.17 -1.40 -0.00 0.00 -2.27 0.00 0.00 64.05 60.21 2eec n THR 109 Cb 0.52 0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2eec n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2eec n GLY 110 N 1.39 -2.96 2.97 3.38 0.00 -1.26 -3.95 105.19 104.77 2eec n GLY 110 Ca -0.12 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 2eec n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eec n GLN 111 N 0.04 0.00 -0.91 1.61 1.13 -1.26 -4.52 117.38 113.46 2eec n GLN 111 Ca -0.01 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.70 2eec n GLN 111 Cb 0.01 -0.92 0.07 0.00 0.11 0.00 0.00 30.24 29.52 2eec n GLN 111 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2eec n ARG 112 N 1.41 -0.24 -1.70 -1.09 1.85 -1.26 -4.92 116.66 110.71 2eec n ARG 112 Ca 0.07 -0.06 -0.29 0.00 -1.00 0.00 0.00 57.85 56.57 2eec n ARG 112 Cb 0.43 -1.28 0.10 0.00 -1.05 0.00 0.00 32.46 30.66 2eec n ARG 112 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eec s LEU 113 N 4.78 2.41 -0.17 2.89 1.02 -1.25 -5.06 118.68 123.30 2eec s LEU 113 Ca 0.45 1.00 -0.01 0.00 0.02 0.00 0.00 54.13 55.60 2eec s LEU 113 Cb -0.13 -3.51 -0.00 0.00 0.02 0.00 0.00 46.19 42.58 2eec s LEU 113 CO 0.74 -2.07 -0.13 -0.69 0.02 0.00 0.00 176.35 174.23 2eec s VAL 114 N -3.35 2.80 -0.16 -1.59 1.01 -1.26 -5.10 120.40 112.75 2eec s VAL 114 Ca 0.62 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 2eec s VAL 114 Cb -0.13 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.11 2eec s VAL 114 CO 0.52 0.50 0.71 -0.44 0.00 0.00 0.00 175.10 176.39 2eec s SER 115 N 0.99 -0.69 -0.28 3.32 0.01 -1.26 -5.13 113.70 110.66 2eec s SER 115 Ca -0.02 1.05 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 2eec s SER 115 Cb -0.15 0.96 -0.02 0.00 0.21 0.00 0.00 66.02 67.03 2eec s SER 115 CO -0.02 -0.43 1.65 -2.16 0.41 0.00 0.00 173.24 172.69 2eec s PRO 116 N -0.45 3.62 0.00 12.44 0.04 -1.26 -4.81 135.00 144.58 2eec s PRO 116 Ca -0.06 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2eec s PRO 116 Cb -0.02 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2eec s PRO 116 CO 0.05 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.00 2eec n GLY 117 N 4.96 1.92 3.65 0.56 0.00 -1.26 -5.02 105.19 110.00 2eec n GLY 117 Ca 0.20 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 2eec n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eec n SER 118 N 0.00 -5.19 -4.70 1.61 7.64 -1.26 -4.97 113.62 106.75 2eec n SER 118 Ca 0.00 -0.62 -0.37 0.00 1.01 0.00 0.00 58.87 58.90 2eec n SER 118 Cb 0.00 -4.76 -0.08 0.00 -1.01 0.00 0.00 64.21 58.36 2eec n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eec s ALA 119 N -3.34 3.59 -0.05 -0.43 0.00 -1.26 -5.07 121.76 115.20 2eec s ALA 119 Ca 0.49 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 2eec s ALA 119 Cb -0.23 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2eec s ALA 119 CO 0.76 -0.08 0.65 1.21 0.00 0.00 0.00 175.76 178.30 2eec s ASN 120 N 0.75 6.97 0.64 0.00 3.84 -1.26 -5.06 114.94 120.82 2eec s ASN 120 Ca 0.15 1.16 -0.13 0.00 0.21 0.00 0.00 52.86 54.25 2eec s ASN 120 Cb -0.13 -2.39 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 2eec s ASN 120 CO 0.05 -0.03 1.06 -1.61 -2.79 0.00 0.00 177.10 173.77 2eec s GLU 121 N 0.43 3.14 0.82 0.43 2.02 -1.26 -5.03 118.70 119.26 2eec s GLU 121 Ca 0.34 1.06 -0.11 0.00 0.02 0.00 0.00 54.97 56.29 2eec s GLU 121 Cb -0.18 -2.01 0.09 0.00 0.10 0.00 0.00 34.13 32.12 2eec s GLU 121 CO 0.17 -0.94 1.10 -0.08 0.02 0.00 0.00 175.26 175.53 2eec s THR 122 N -2.77 3.02 -1.54 3.63 -1.32 -1.26 -3.57 115.64 111.82 2eec s THR 122 Ca 0.60 0.33 -0.12 0.00 -1.21 0.00 0.00 61.69 61.29 2eec s THR 122 Cb -0.15 -2.76 0.09 0.00 -1.51 0.00 0.00 72.50 68.17 2eec s THR 122 CO 0.46 -0.43 0.84 -1.20 -2.21 0.00 0.00 174.62 172.08 2eec n SER 123 N -3.71 -3.48 -0.17 8.08 7.64 -1.26 -4.85 113.62 115.87 2eec n SER 123 Ca 0.09 -0.87 -0.05 0.00 1.01 0.00 0.00 58.87 59.04 2eec n SER 123 Cb 0.53 -3.50 0.01 0.00 -1.01 0.00 0.00 64.21 60.24 2eec n SER 123 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2eec h SER 124 N -1.88 -1.02 0.00 6.43 4.64 -1.97 -3.56 113.55 116.18 2eec h SER 124 Ca -0.59 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2eec h SER 124 Cb 1.38 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 2eec h SER 124 CO 0.68 -0.29 0.00 -0.38 -0.87 0.00 0.00 176.83 175.97