#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mck n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.16 113.62 113.62 1mck n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1mck n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1mck n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mck n ALA 3 N -0.02 0.00 -3.08 -1.46 0.00 -1.26 -4.98 120.51 109.72 1mck n ALA 3 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1mck n ALA 3 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1mck n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mck s LEU 4 N 0.00 1.64 -0.38 0.00 1.43 -0.44 -4.74 118.68 116.19 1mck s LEU 4 Ca 0.00 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1mck s LEU 4 Cb 0.00 0.56 0.03 0.00 0.03 0.00 0.00 46.19 46.81 1mck s LEU 4 CO 0.00 -0.31 0.23 -0.89 0.23 0.00 0.00 176.35 175.60 1mck s THR 5 N -1.19 4.72 0.30 5.49 2.01 -0.11 -2.12 115.64 124.73 1mck s THR 5 Ca -0.13 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1mck s THR 5 Cb -0.07 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1mck s THR 5 CO 0.01 -0.25 0.09 -1.10 -0.69 0.00 0.00 174.62 172.68 1mck s GLN 6 N 1.58 2.42 -0.15 4.92 -0.21 -1.26 -0.40 119.66 126.57 1mck s GLN 6 Ca 0.03 -1.42 -0.07 0.00 0.02 0.00 0.00 55.36 53.92 1mck s GLN 6 Cb -0.19 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 1mck s GLN 6 CO 0.07 0.26 0.08 -1.25 -2.12 0.00 0.00 175.29 172.34 1mck s PRO 7 N -3.77 3.69 -1.53 2.91 0.04 -1.26 -4.71 135.00 130.37 1mck s PRO 7 Ca 0.34 -0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.02 1mck s PRO 7 Cb -0.05 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1mck s PRO 7 CO 0.22 0.50 2.73 -2.30 0.04 0.00 0.00 177.00 178.18 1mck n PRO 8 N 2.85 3.85 0.00 0.56 -0.02 -1.26 -4.44 135.00 136.54 1mck n PRO 8 Ca -0.18 -2.58 0.00 0.00 -2.02 0.00 0.00 63.50 58.72 1mck n PRO 8 Cb 0.53 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1mck n PRO 8 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1mck n SER 9 N 3.36 0.00 -4.41 2.55 7.64 -1.24 -4.43 113.62 117.09 1mck n SER 9 Ca 0.71 -0.78 -0.17 0.00 1.01 0.00 0.00 58.87 59.64 1mck n SER 9 Cb 0.25 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.28 1mck n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mck n ALA 10 N 0.00 0.95 -2.65 -0.43 0.00 -0.94 -4.59 120.51 112.84 1mck n ALA 10 Ca 0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.15 1mck n ALA 10 Cb 0.21 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1mck n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mck s SER 11 N 0.86 6.63 0.26 0.00 1.04 -1.26 -1.70 113.70 119.54 1mck s SER 11 Ca 1.04 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 58.16 1mck s SER 11 Cb -0.63 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 1mck s SER 11 CO 0.43 0.33 0.38 -0.83 0.98 0.00 0.00 173.24 174.53 1mck s GLY 12 N -1.17 1.07 0.16 7.32 0.00 0.05 -4.91 107.32 109.84 1mck s GLY 12 Ca 0.22 -1.30 0.07 0.00 0.00 0.00 0.00 44.72 43.71 1mck s GLY 12 CO 0.11 -0.95 0.03 -0.56 0.00 0.00 0.00 173.10 171.73 1mck s SER 13 N -3.12 4.96 0.66 1.64 0.01 -1.26 -0.97 113.70 115.62 1mck s SER 13 Ca 0.29 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 1mck s SER 13 Cb 0.02 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 1mck s SER 13 CO 0.13 0.09 0.68 0.18 0.41 0.00 0.00 173.24 174.74 1mck n LEU 14 N -0.11 1.83 0.00 2.44 4.32 -1.15 -1.38 117.00 122.96 1mck n LEU 14 Ca -0.09 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1mck n LEU 14 Cb 0.55 -1.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 1mck n LEU 14 CO 0.40 -2.68 0.00 0.61 -1.22 0.00 0.00 177.39 174.49 1mck n GLY 15 N 1.52 1.55 0.00 -0.72 0.00 0.01 -4.88 105.19 102.68 1mck n GLY 15 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1mck n GLY 15 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mck n GLN 16 N 0.00 3.05 -3.71 1.61 7.27 -0.48 -3.77 117.38 121.36 1mck n GLN 16 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 1mck n GLN 16 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 1mck n GLN 16 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1mck s SER 17 N -1.79 -0.06 0.09 1.69 1.04 -1.26 0.06 113.70 113.48 1mck s SER 17 Ca 0.00 -0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 1mck s SER 17 Cb 0.00 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1mck s SER 17 CO 0.00 -0.40 -0.02 0.54 0.98 0.00 0.00 173.24 174.35 1mck s VAL 18 N -2.43 0.36 -0.37 5.02 0.11 -0.59 -4.77 120.40 117.72 1mck s VAL 18 Ca 0.17 -1.88 0.01 0.00 -2.93 0.00 0.00 61.98 57.35 1mck s VAL 18 Cb 0.03 -1.73 0.15 0.00 -1.53 0.00 0.00 36.38 33.30 1mck s VAL 18 CO -0.02 -0.81 0.27 -0.89 -3.33 0.00 0.00 175.10 170.32 1mck s THR 19 N -3.85 0.12 0.04 5.04 2.01 -1.26 -0.67 115.64 117.07 1mck s THR 19 Ca 0.13 -1.86 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 1mck s THR 19 Cb 0.07 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1mck s THR 19 CO -0.05 -1.00 0.78 -0.63 -0.69 0.00 0.00 174.62 173.04 1mck s ILE 20 N 0.85 4.74 0.06 1.82 1.01 0.18 -4.89 121.20 124.96 1mck s ILE 20 Ca 0.22 1.66 -0.12 0.00 0.00 0.00 0.00 60.65 62.41 1mck s ILE 20 Cb -0.15 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1mck s ILE 20 CO -0.05 0.35 0.42 -0.44 0.00 0.00 0.00 174.94 175.22 1mck s SER 21 N 0.04 6.72 -0.29 3.58 0.01 -1.26 -0.66 113.70 121.84 1mck s SER 21 Ca 0.39 0.88 -0.04 0.00 1.31 0.00 0.00 55.95 58.50 1mck s SER 21 Cb -0.21 -2.22 0.10 0.00 0.21 0.00 0.00 66.02 63.91 1mck s SER 21 CO 0.23 0.22 0.13 0.00 0.41 0.00 0.00 173.24 174.24 1mck s THR 23 N 2.11 5.38 0.00 0.00 2.01 0.47 -0.63 115.64 124.97 1mck s THR 23 Ca 0.09 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1mck s THR 23 Cb -0.16 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1mck s THR 23 CO -0.36 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1mck n GLY 24 N 3.60 4.63 3.30 4.40 0.00 0.72 -0.94 105.19 120.90 1mck n GLY 24 Ca -0.16 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1mck n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mck s THR 25 N 3.04 0.02 -1.48 2.61 -4.23 -1.26 -4.92 115.64 109.42 1mck s THR 25 Ca 0.00 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 58.61 1mck s THR 25 Cb 0.00 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.59 1mck s THR 25 CO 0.00 -0.11 2.31 -1.20 -0.54 0.00 0.00 174.62 175.09 1mck n SER 26 N -0.26 4.46 0.00 3.99 7.64 -1.26 -0.56 113.62 127.63 1mck n SER 26 Ca -0.01 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1mck n SER 26 Cb 0.64 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1mck n SER 26 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1mck n SER 27 N 5.77 0.00 0.00 6.43 7.64 -0.96 -4.93 113.62 127.57 1mck n SER 27 Ca 0.55 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1mck n SER 27 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1mck n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1mck n ASP 28 N 0.00 0.00 -0.10 6.43 5.68 0.27 -4.39 116.55 124.45 1mck n ASP 28 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1mck n ASP 28 Cb 0.00 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.30 1mck n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1mck h VAL 29 N 0.00 1.16 -3.22 2.12 2.07 -1.72 -3.27 116.25 113.38 1mck h VAL 29 Ca 0.00 -0.34 -0.70 0.00 0.82 0.00 0.00 66.70 66.48 1mck h VAL 29 Cb 0.00 0.37 -0.19 0.00 -1.52 0.00 0.00 31.29 29.95 1mck h VAL 29 CO 0.00 0.16 -0.03 -0.83 0.02 0.00 0.00 177.57 176.90 1mck s GLY 30 N -3.56 1.83 0.00 2.17 0.00 -0.88 -4.33 107.32 102.55 1mck s GLY 30 Ca -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.74 1mck s GLY 30 CO 0.76 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.86 1mck n GLY 31 N 5.19 3.94 3.93 0.20 0.00 -1.26 -2.26 105.19 114.94 1mck n GLY 31 Ca -0.08 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1mck n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mck s TYR 32 N 0.00 3.49 -0.44 1.61 1.51 -1.23 -5.03 117.35 117.26 1mck s TYR 32 Ca 0.00 0.21 0.22 0.00 -1.01 0.00 0.00 57.07 56.50 1mck s TYR 32 Cb 0.00 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 1mck s TYR 32 CO 0.00 0.50 0.89 0.09 -1.11 0.00 0.00 175.55 175.92 1mck n ASN 33 N -0.35 0.53 -4.57 2.29 3.02 -1.26 -4.67 115.26 110.25 1mck n ASN 33 Ca -0.06 -0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.10 1mck n ASN 33 Cb 0.53 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.68 1mck n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1mck s TYR 34 N -3.29 1.83 -0.14 3.10 1.51 -1.26 -2.40 117.35 116.70 1mck s TYR 34 Ca 0.01 0.71 0.02 0.00 -1.01 0.00 0.00 57.07 56.79 1mck s TYR 34 Cb 0.14 -3.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.05 1mck s TYR 34 CO 0.83 -1.32 -0.19 0.08 -1.11 0.00 0.00 175.55 173.84 1mck s VAL 35 N 11.36 2.39 0.16 0.71 1.01 -1.24 -1.41 120.40 133.39 1mck s VAL 35 Ca 0.71 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1mck s VAL 35 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1mck s VAL 35 CO 0.10 0.53 -0.23 -0.44 0.00 0.00 0.00 175.10 175.06 1mck s SER 36 N 0.69 3.13 -0.23 3.32 0.01 -0.03 -1.07 113.70 119.52 1mck s SER 36 Ca -0.09 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.38 1mck s SER 36 Cb -0.16 -0.21 0.06 0.00 0.21 0.00 0.00 66.02 65.92 1mck s SER 36 CO 0.01 0.10 -0.07 0.26 0.41 0.00 0.00 173.24 173.96 1mck s TRP 37 N -1.48 2.48 0.14 2.43 0.52 0.15 -0.46 118.94 122.72 1mck s TRP 37 Ca 0.16 -1.77 -0.14 0.00 0.02 0.00 0.00 56.10 54.37 1mck s TRP 37 Cb -0.08 -1.62 -0.07 0.00 -1.15 0.00 0.00 33.47 30.54 1mck s TRP 37 CO 0.07 -0.78 0.53 0.71 0.02 0.00 0.00 176.95 177.51 1mck s TYR 38 N 1.37 3.61 -0.10 -1.98 2.02 0.16 -0.43 117.35 121.99 1mck s TYR 38 Ca -0.05 1.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.69 1mck s TYR 38 Cb -0.18 -2.35 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1mck s TYR 38 CO -0.06 0.44 -0.13 -1.14 -1.57 0.00 0.00 175.55 173.09 1mck s GLN 39 N -1.94 3.04 -0.08 -0.62 0.74 -0.35 -1.92 119.66 118.53 1mck s GLN 39 Ca 0.37 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 55.06 1mck s GLN 39 Cb -0.15 -2.54 0.04 0.00 1.10 0.00 0.00 33.01 31.46 1mck s GLN 39 CO 0.19 0.39 0.18 -1.14 -0.55 0.00 0.00 175.29 174.36 1mck s GLN 40 N -0.10 0.14 0.16 1.67 0.74 0.06 -0.94 119.66 121.40 1mck s GLN 40 Ca -0.02 0.41 -0.02 0.00 0.05 0.00 0.00 55.36 55.78 1mck s GLN 40 Cb -0.14 -0.12 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1mck s GLN 40 CO 0.04 -0.15 0.35 -1.01 -0.55 0.00 0.00 175.29 173.97 1mck s HIS 41 N 1.06 3.49 -0.49 1.67 3.76 -1.23 -0.19 115.29 123.34 1mck s HIS 41 Ca -0.08 0.39 -0.44 0.00 -0.15 0.00 0.00 55.06 54.78 1mck s HIS 41 Cb -0.10 -1.88 -0.19 0.00 1.11 0.00 0.00 32.58 31.52 1mck s HIS 41 CO -0.06 0.44 2.09 0.00 -0.85 0.00 0.00 174.74 176.36 1mck n ALA 42 N -0.24 0.10 -3.96 -1.40 0.00 -1.26 -1.48 120.51 112.27 1mck n ALA 42 Ca -0.04 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1mck n ALA 42 Cb 0.53 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.92 1mck n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mck n GLY 43 N 7.15 -0.83 2.62 0.00 0.00 -1.26 -4.89 105.19 107.96 1mck n GLY 43 Ca 0.52 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 1mck n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mck n LYS 44 N -4.74 0.42 -1.73 1.61 4.81 -0.55 -5.12 118.16 112.85 1mck n LYS 44 Ca -0.12 -2.50 -0.38 0.00 -0.87 0.00 0.00 58.31 54.44 1mck n LYS 44 Cb 0.58 2.18 0.06 0.00 0.02 0.00 0.00 35.03 37.87 1mck n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mck n ALA 45 N -1.16 1.27 -1.99 3.14 0.00 -1.26 -4.73 120.51 115.77 1mck n ALA 45 Ca -0.10 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1mck n ALA 45 Cb 0.48 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.64 1mck n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mck s PRO 46 N -3.13 2.47 0.14 0.00 0.04 -1.26 -3.58 135.00 129.68 1mck s PRO 46 Ca 0.78 -1.02 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 1mck s PRO 46 Cb -0.40 -2.55 0.04 0.00 0.04 0.00 0.00 34.50 31.63 1mck s PRO 46 CO 0.44 -0.72 0.44 0.21 0.04 0.00 0.00 177.00 177.42 1mck s LYS 47 N -4.70 1.15 0.00 4.56 2.47 -0.11 -4.96 119.74 118.14 1mck s LYS 47 Ca 0.58 -0.71 -0.30 0.00 -1.56 0.00 0.00 55.97 53.99 1mck s LYS 47 Cb -0.09 0.49 -0.06 0.00 -1.46 0.00 0.00 37.83 36.71 1mck s LYS 47 CO 0.38 -0.46 1.47 0.54 0.16 0.00 0.00 175.35 177.44 1mck s VAL 48 N -3.81 3.59 -0.12 4.02 0.11 -1.26 -1.21 120.40 121.72 1mck s VAL 48 Ca 0.04 0.96 0.02 0.00 -2.93 0.00 0.00 61.98 60.06 1mck s VAL 48 Cb 0.01 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 31.16 1mck s VAL 48 CO -0.11 -0.01 -0.10 2.30 -3.33 0.00 0.00 175.10 173.85 1mck n ILE 49 N 4.79 0.73 -4.85 7.04 -5.35 0.43 -4.90 119.36 117.24 1mck n ILE 49 Ca 0.14 -0.30 -0.28 0.00 -0.27 0.00 0.00 62.75 62.04 1mck n ILE 49 Cb 0.43 -0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 37.26 1mck n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1mck s ILE 50 N -2.25 1.92 0.00 7.28 -1.09 -0.92 -4.25 121.20 121.89 1mck s ILE 50 Ca -0.16 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.00 1mck s ILE 50 Cb 0.04 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 39.28 1mck s ILE 50 CO 0.31 0.33 0.00 0.00 -1.23 0.00 0.00 174.94 174.35 1mck n TYR 51 N 1.92 0.00 -3.57 3.97 4.11 -1.26 0.34 117.16 122.68 1mck n TYR 51 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.33 1mck n TYR 51 Cb 0.52 0.39 -0.06 0.00 -0.00 0.00 0.00 39.34 40.19 1mck n TYR 51 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1mck s GLU 52 N -1.98 3.05 0.00 -3.48 2.02 -1.23 -3.56 118.70 113.51 1mck s GLU 52 Ca 0.00 -2.61 0.00 0.00 0.02 0.00 0.00 54.97 52.38 1mck s GLU 52 Cb 0.00 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.21 1mck s GLU 52 CO 0.00 -1.23 0.00 1.55 0.02 0.00 0.00 175.26 175.60 1mck n VAL 53 N 3.50 0.00 -3.72 2.63 3.14 -0.23 -4.02 118.33 119.63 1mck n VAL 53 Ca 0.12 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.38 1mck n VAL 53 Cb 0.41 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.08 1mck n VAL 53 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1mck s ASN 54 N 0.00 -0.45 0.00 6.55 2.47 -1.26 -4.11 114.94 118.14 1mck s ASN 54 Ca 0.00 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.11 1mck s ASN 54 Cb 0.00 0.78 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 1mck s ASN 54 CO 0.00 -0.16 0.00 0.29 -3.72 0.00 0.00 177.10 173.51 1mck n LYS 55 N 3.48 0.00 -2.90 0.43 5.02 -1.26 -4.96 118.16 117.97 1mck n LYS 55 Ca -0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.70 1mck n LYS 55 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 1mck n LYS 55 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1mck s ARG 56 N -2.00 4.36 0.37 1.97 6.06 -1.26 -4.47 118.95 123.99 1mck s ARG 56 Ca 0.00 1.04 -0.19 0.00 -2.50 0.00 0.00 55.73 54.08 1mck s ARG 56 Cb 0.00 -3.53 -0.10 0.00 0.06 0.00 0.00 34.95 31.38 1mck s ARG 56 CO 0.00 -0.20 0.85 -2.14 -2.50 0.00 0.00 175.30 171.31 1mck s PRO 57 N 1.69 4.16 -0.54 5.12 0.02 -1.26 -5.04 135.00 139.15 1mck s PRO 57 Ca 0.40 0.94 -0.13 0.00 0.02 0.00 0.00 61.00 62.22 1mck s PRO 57 Cb -0.17 -2.34 0.13 0.00 0.02 0.00 0.00 34.50 32.14 1mck s PRO 57 CO 0.16 0.08 0.47 0.45 -0.33 0.00 0.00 177.00 177.83 1mck s SER 58 N -2.17 6.07 0.00 2.53 0.15 -1.26 -2.05 113.70 116.97 1mck s SER 58 Ca 0.57 -1.92 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1mck s SER 58 Cb -0.10 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1mck s SER 58 CO 0.16 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1mck n GLY 59 N 5.01 0.23 3.76 9.45 0.00 -1.26 -5.09 105.19 117.29 1mck n GLY 59 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1mck n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mck s VAL 60 N -0.73 5.33 0.48 1.61 1.01 -0.87 -5.05 120.40 122.18 1mck s VAL 60 Ca 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 1mck s VAL 60 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1mck s VAL 60 CO 0.00 0.45 1.32 -2.84 0.00 0.00 0.00 175.10 174.03 1mck s PRO 61 N 0.07 3.54 0.00 2.72 0.02 -1.26 -4.75 135.00 135.34 1mck s PRO 61 Ca 0.15 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1mck s PRO 61 Cb -0.13 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1mck s PRO 61 CO 0.03 -0.85 0.00 -0.40 -0.33 0.00 0.00 177.00 175.46 1mck n ASP 62 N -0.52 0.00 -0.30 2.53 5.68 -1.26 -3.67 116.55 119.01 1mck n ASP 62 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1mck n ASP 62 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1mck n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1mck n ARG 63 N -0.45 0.00 -3.04 0.11 0.63 -1.26 -5.04 116.66 107.62 1mck n ARG 63 Ca 0.00 -0.57 -0.40 0.00 -0.92 0.00 0.00 57.85 55.97 1mck n ARG 63 Cb 0.00 -0.36 -0.05 0.00 0.45 0.00 0.00 32.46 32.51 1mck n ARG 63 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1mck s PHE 64 N 0.00 3.64 0.02 -0.14 0.08 -1.24 -1.71 117.98 118.63 1mck s PHE 64 Ca 0.00 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.40 1mck s PHE 64 Cb 0.00 -2.79 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1mck s PHE 64 CO 0.00 0.17 -0.10 -1.54 -0.10 0.00 0.00 175.22 173.66 1mck s SER 65 N 0.43 1.11 0.03 1.36 1.04 -0.48 -4.98 113.70 112.22 1mck s SER 65 Ca 0.37 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.50 1mck s SER 65 Cb -0.19 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1mck s SER 65 CO 0.20 -0.02 -0.14 -0.83 0.98 0.00 0.00 173.24 173.43 1mck s GLY 66 N -0.89 1.65 0.02 7.32 0.00 -1.26 0.14 107.32 114.30 1mck s GLY 66 Ca -0.01 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.61 1mck s GLY 66 CO 0.00 -1.03 -0.14 -0.45 0.00 0.00 0.00 173.10 171.49 1mck s SER 67 N -1.49 1.61 0.05 1.64 0.15 0.16 -4.42 113.70 111.39 1mck s SER 67 Ca 0.16 -0.39 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1mck s SER 67 Cb -0.11 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1mck s SER 67 CO 0.07 0.07 -0.26 -0.75 1.20 0.00 0.00 173.24 173.57 1mck s LYS 68 N -0.89 1.71 -0.49 5.44 2.20 -1.26 -0.29 119.74 126.15 1mck s LYS 68 Ca 0.02 -1.10 0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1mck s LYS 68 Cb -0.07 -1.89 0.21 0.00 -1.51 0.00 0.00 37.83 34.56 1mck s LYS 68 CO 0.01 0.49 0.73 0.45 -0.36 0.00 0.00 175.35 176.66 1mck n SER 69 N 1.73 -2.80 0.00 1.43 2.88 0.14 -5.00 113.62 112.00 1mck n SER 69 Ca -0.17 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1mck n SER 69 Cb 0.52 1.42 0.00 0.00 -0.75 0.00 0.00 64.21 65.40 1mck n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mck n GLY 70 N 2.46 1.81 0.44 0.46 0.00 -1.26 -1.74 105.19 107.35 1mck n GLY 70 Ca 0.17 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1mck n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mck n ASN 71 N 6.57 1.61 -4.17 1.61 3.02 -1.26 -3.91 115.26 118.73 1mck n ASN 71 Ca 0.00 -1.30 -0.30 0.00 -0.03 0.00 0.00 54.58 52.95 1mck n ASN 71 Cb 0.00 0.20 -0.17 0.00 -0.61 0.00 0.00 39.78 39.20 1mck n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1mck s THR 72 N -2.36 1.86 0.10 3.41 2.01 -0.71 -0.20 115.64 119.75 1mck s THR 72 Ca 0.25 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1mck s THR 72 Cb 0.19 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1mck s THR 72 CO 0.48 0.52 0.14 0.00 -0.69 0.00 0.00 174.62 175.07 1mck s ALA 73 N 0.44 3.70 -0.06 7.40 0.00 0.19 0.25 121.76 133.69 1mck s ALA 73 Ca -0.17 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1mck s ALA 73 Cb -0.17 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1mck s ALA 73 CO 0.07 0.68 0.15 0.45 0.00 0.00 0.00 175.76 177.11 1mck s SER 74 N -2.69 -0.15 -0.15 0.00 0.15 0.60 -0.49 113.70 110.97 1mck s SER 74 Ca 0.31 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.22 1mck s SER 74 Cb -0.12 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1mck s SER 74 CO 0.24 -0.08 0.02 -0.22 1.20 0.00 0.00 173.24 174.40 1mck s LEU 75 N 0.42 3.63 -0.23 3.45 2.96 0.16 0.36 118.68 129.43 1mck s LEU 75 Ca -0.03 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1mck s LEU 75 Cb -0.04 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 44.82 1mck s LEU 75 CO -0.02 0.23 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.29 1mck s THR 76 N 0.04 1.48 -0.49 3.68 2.01 0.12 0.47 115.64 122.95 1mck s THR 76 Ca 0.04 -1.14 -0.18 0.00 0.31 0.00 0.00 61.69 60.71 1mck s THR 76 Cb -0.13 -1.73 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1mck s THR 76 CO 0.02 -0.07 0.57 0.54 -0.69 0.00 0.00 174.62 174.99 1mck s VAL 77 N 1.43 4.95 -0.25 3.82 0.11 0.15 -1.38 120.40 129.23 1mck s VAL 77 Ca -0.05 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 1mck s VAL 77 Cb -0.18 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.38 1mck s VAL 77 CO -0.06 -0.72 0.17 -0.44 -3.33 0.00 0.00 175.10 170.71 1mck s SER 78 N 2.56 6.08 0.00 3.54 0.01 -0.70 -1.55 113.70 123.65 1mck s SER 78 Ca 0.13 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1mck s SER 78 Cb -0.20 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1mck s SER 78 CO 0.11 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1mck n GLY 79 N 4.55 1.33 0.00 3.44 0.00 0.11 -4.85 105.19 109.77 1mck n GLY 79 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1mck n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mck n LEU 80 N 0.00 0.00 -4.40 0.99 7.94 -0.79 -0.81 117.00 119.93 1mck n LEU 80 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 1mck n LEU 80 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1mck n LEU 80 CO 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 177.39 175.84 1mck s GLN 81 N 0.00 3.22 0.00 1.96 1.03 -1.26 -1.41 119.66 123.20 1mck s GLN 81 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 55.36 54.72 1mck s GLN 81 Cb 0.00 -2.60 0.00 0.00 0.03 0.00 0.00 33.01 30.44 1mck s GLN 81 CO 0.00 0.30 0.00 0.00 -2.54 0.00 0.00 175.29 173.05 1mck n ALA 82 N 3.27 0.00 0.29 2.60 0.00 -1.26 -0.15 120.51 125.26 1mck n ALA 82 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.45 1mck n ALA 82 Cb 0.53 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.97 1mck n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1mck h GLU 83 N 0.00 0.00 0.00 0.00 4.11 -1.94 -1.80 114.58 114.95 1mck h GLU 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1mck h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mck h GLU 83 CO 0.00 0.00 0.01 -0.25 0.07 0.00 0.00 179.01 178.84 1mck n ASP 84 N -3.44 0.25 -4.68 3.06 8.00 0.79 -4.49 116.55 116.04 1mck n ASP 84 Ca -0.02 0.61 -0.47 0.00 0.71 0.00 0.00 54.79 55.63 1mck n ASP 84 Cb 0.18 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 1mck n ASP 84 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1mck n GLU 85 N -1.84 2.26 0.00 -1.24 2.13 -0.68 -4.77 120.64 116.50 1mck n GLU 85 Ca -0.01 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1mck n GLU 85 Cb 0.02 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.08 1mck n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mck n ALA 86 N 5.49 0.00 -3.81 4.31 0.00 -1.17 -4.92 120.51 120.41 1mck n ALA 86 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 1mck n ALA 86 Cb 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.58 1mck n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mck s ASP 87 N 2.00 1.78 -0.29 0.00 1.01 0.73 -1.80 116.67 120.10 1mck s ASP 87 Ca 0.00 -0.18 -0.05 0.00 0.71 0.00 0.00 52.55 53.03 1mck s ASP 87 Cb 0.00 -0.60 0.02 0.00 1.01 0.00 0.00 42.92 43.35 1mck s ASP 87 CO 0.00 -0.15 0.05 -0.31 0.21 0.00 0.00 175.17 174.97 1mck s TYR 88 N 1.77 3.16 0.08 4.23 1.51 0.49 -0.76 117.35 127.83 1mck s TYR 88 Ca 0.03 -1.24 0.02 0.00 -1.01 0.00 0.00 57.07 54.88 1mck s TYR 88 Cb -0.13 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1mck s TYR 88 CO -0.06 -0.65 0.13 0.71 -1.11 0.00 0.00 175.55 174.57 1mck s TYR 89 N 1.43 3.31 0.28 2.71 2.02 -0.81 -1.55 117.35 124.74 1mck s TYR 89 Ca 0.01 0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 1mck s TYR 89 Cb -0.18 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1mck s TYR 89 CO 0.01 0.54 0.30 0.00 -1.57 0.00 0.00 175.55 174.83 1mck s SER 91 N -3.96 0.30 -0.05 0.00 0.15 0.39 -1.33 113.70 109.19 1mck s SER 91 Ca 0.37 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 1mck s SER 91 Cb -0.08 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 1mck s SER 91 CO 0.27 0.03 -0.02 -0.94 1.20 0.00 0.00 173.24 173.78 1mck s SER 92 N -0.02 1.14 0.21 5.45 1.04 0.67 -0.85 113.70 121.34 1mck s SER 92 Ca 0.01 -0.10 -0.32 0.00 0.48 0.00 0.00 55.95 56.02 1mck s SER 92 Cb -0.01 -0.42 -0.12 0.00 0.10 0.00 0.00 66.02 65.56 1mck s SER 92 CO -0.00 -0.12 1.73 0.00 0.98 0.00 0.00 173.24 175.83 1mck n TYR 93 N 4.50 2.76 -0.44 5.02 9.36 -0.50 -1.07 117.16 136.80 1mck n TYR 93 Ca -0.18 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1mck n TYR 93 Cb 0.50 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.54 1mck n TYR 93 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1mck n GLU 94 N 4.01 3.55 0.00 2.98 1.02 0.70 -4.25 120.64 128.64 1mck n GLU 94 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1mck n GLU 94 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1mck n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mck n GLY 95 N 5.00 0.64 0.00 0.62 0.00 -1.26 -4.71 105.19 105.48 1mck n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mck n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mck n SER 96 N 0.00 0.00 -2.54 1.61 7.64 -1.26 -0.95 113.62 118.12 1mck n SER 96 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1mck n SER 96 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1mck n SER 96 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1mck n ASP 97 N 0.00 -1.29 -4.16 6.43 8.00 -1.26 -4.97 116.55 119.29 1mck n ASP 97 Ca 0.00 0.43 -0.30 0.00 0.71 0.00 0.00 54.79 55.63 1mck n ASP 97 Cb 0.00 -1.23 -0.17 0.00 -0.02 0.00 0.00 41.12 39.70 1mck n ASP 97 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1mck s ASN 98 N -2.03 2.74 -0.18 -2.24 0.01 -0.13 -5.05 114.94 108.06 1mck s ASN 98 Ca 0.02 -0.49 -0.07 0.00 -0.71 0.00 0.00 52.86 51.61 1mck s ASN 98 Cb -0.01 -1.25 -0.04 0.00 0.41 0.00 0.00 41.25 40.36 1mck s ASN 98 CO 0.02 0.12 0.06 -0.36 -1.51 0.00 0.00 177.10 175.44 1mck s PHE 99 N 0.44 3.25 0.06 2.20 0.40 -1.26 -0.22 117.98 122.86 1mck s PHE 99 Ca -0.17 0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1mck s PHE 99 Cb -0.17 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1mck s PHE 99 CO 0.07 0.16 -0.11 0.54 0.70 0.00 0.00 175.22 176.59 1mck s VAL 100 N 0.35 3.32 0.45 -0.44 0.11 -0.24 -4.93 120.40 119.03 1mck s VAL 100 Ca 0.03 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.03 1mck s VAL 100 Cb -0.12 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 1mck s VAL 100 CO 0.00 0.24 0.27 -0.36 -3.33 0.00 0.00 175.10 171.92 1mck s PHE 101 N -1.09 2.35 0.41 1.54 0.40 -1.26 -0.24 117.98 120.09 1mck s PHE 101 Ca 0.19 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1mck s PHE 101 Cb -0.11 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1mck s PHE 101 CO 0.10 -0.05 0.53 0.20 0.70 0.00 0.00 175.22 176.71 1mck s GLY 102 N -4.05 1.94 0.39 4.36 0.00 -0.44 -1.33 107.32 108.19 1mck s GLY 102 Ca 0.39 -1.68 0.09 0.00 0.00 0.00 0.00 44.72 43.53 1mck s GLY 102 CO 0.22 -1.51 1.94 -0.84 0.00 0.00 0.00 173.10 172.92 1mck h THR 103 N 0.72 1.16 0.00 0.90 2.02 -1.72 -3.45 112.91 112.53 1mck h THR 103 Ca -0.41 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1mck h THR 103 Cb 1.28 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1mck h THR 103 CO 0.47 0.22 0.00 0.61 0.37 0.00 0.00 175.52 177.19 1mck n GLY 104 N -0.97 -0.22 3.02 2.16 0.00 -1.26 -4.98 105.19 102.94 1mck n GLY 104 Ca -0.00 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1mck n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mck s THR 105 N -2.63 0.96 -0.16 2.61 2.01 -0.60 -4.00 115.64 113.83 1mck s THR 105 Ca 0.00 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1mck s THR 105 Cb 0.00 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1mck s THR 105 CO 0.00 0.30 0.59 -0.75 -0.69 0.00 0.00 174.62 174.07 1mck s LYS 106 N 0.31 4.27 -0.12 4.92 2.20 -1.26 -0.38 119.74 129.67 1mck s LYS 106 Ca -0.06 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1mck s LYS 106 Cb -0.11 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1mck s LYS 106 CO 0.01 -0.09 -0.00 0.08 -0.36 0.00 0.00 175.35 174.99 1mck s VAL 107 N 1.42 4.26 -0.03 4.02 1.01 -0.74 -2.22 120.40 128.12 1mck s VAL 107 Ca 0.29 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1mck s VAL 107 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1mck s VAL 107 CO 0.12 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.76 1mck s THR 108 N -0.28 0.94 0.14 3.92 2.01 -0.69 -3.07 115.64 118.62 1mck s THR 108 Ca 0.06 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1mck s THR 108 Cb -0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1mck s THR 108 CO 0.02 0.29 0.27 -0.69 -0.69 0.00 0.00 174.62 173.82 1mck s VAL 109 N 0.20 5.31 0.14 3.82 1.01 -1.26 -0.77 120.40 128.85 1mck s VAL 109 Ca -0.04 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1mck s VAL 109 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1mck s VAL 109 CO 0.01 -0.07 -0.11 -0.76 0.00 0.00 0.00 175.10 174.17 1mck s LEU 110 N -3.15 2.50 -0.01 3.92 1.02 -0.14 -4.81 118.68 118.00 1mck s LEU 110 Ca 0.34 -0.96 0.00 0.00 0.02 0.00 0.00 54.13 53.54 1mck s LEU 110 Cb -0.11 -0.42 0.00 0.00 0.02 0.00 0.00 46.19 45.68 1mck s LEU 110 CO 0.28 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.99 1mck n GLY 111 N -0.01 0.45 3.66 -3.19 0.00 -1.26 -2.92 105.19 101.91 1mck n GLY 111 Ca -0.11 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1mck n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mck s GLN 112 N -0.92 4.26 0.26 1.61 -0.21 -1.26 -4.94 119.66 118.45 1mck s GLN 112 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 55.36 56.34 1mck s GLN 112 Cb 0.00 -3.63 -0.15 0.00 1.00 0.00 0.00 33.01 30.23 1mck s GLN 112 CO 0.00 -0.57 0.92 -2.30 -2.12 0.00 0.00 175.29 171.22 1mck n PRO 113 N 6.10 1.03 -3.41 2.91 -0.02 -1.26 -4.97 135.00 135.38 1mck n PRO 113 Ca 0.10 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1mck n PRO 113 Cb 0.47 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1mck n PRO 113 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1mck s LYS 114 N -1.32 4.00 -0.05 -0.52 0.00 -1.26 -4.90 119.74 115.70 1mck s LYS 114 Ca 0.61 0.50 0.06 0.00 0.00 0.00 0.00 55.97 57.14 1mck s LYS 114 Cb -0.77 -3.13 -0.01 0.00 0.00 0.00 0.00 37.83 33.92 1mck s LYS 114 CO 0.58 0.61 -0.22 0.00 0.00 0.00 0.00 175.35 176.32 1mck s ALA 115 N -1.21 1.91 0.03 0.59 0.00 0.66 -4.93 121.76 118.81 1mck s ALA 115 Ca 0.30 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 1mck s ALA 115 Cb -0.17 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 1mck s ALA 115 CO 0.17 0.38 0.60 -0.80 0.00 0.00 0.00 175.76 176.11 1mck s ASN 116 N -0.16 7.03 0.64 0.00 0.01 -1.26 -1.38 114.94 119.82 1mck s ASN 116 Ca -0.02 1.22 -0.16 0.00 -0.71 0.00 0.00 52.86 53.19 1mck s ASN 116 Cb -0.12 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1mck s ASN 116 CO 0.02 0.17 1.15 -2.84 -1.51 0.00 0.00 177.10 174.09 1mck s PRO 117 N -0.55 2.79 -0.17 -0.60 0.02 -1.26 -4.73 135.00 130.49 1mck s PRO 117 Ca 0.31 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 1mck s PRO 117 Cb -0.19 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1mck s PRO 117 CO 0.18 -1.29 0.69 0.99 -0.33 0.00 0.00 177.00 177.24 1mck s THR 118 N -2.04 4.99 -0.32 0.99 2.01 -0.24 -4.92 115.64 116.11 1mck s THR 118 Ca 0.71 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 64.00 1mck s THR 118 Cb -0.24 -4.00 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1mck s THR 118 CO 0.38 0.11 0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 1mck s VAL 119 N 1.81 3.35 -0.29 3.82 1.01 -1.26 -0.68 120.40 128.15 1mck s VAL 119 Ca 0.32 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1mck s VAL 119 Cb -0.16 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1mck s VAL 119 CO 0.12 -0.14 0.05 -0.89 0.00 0.00 0.00 175.10 174.23 1mck s THR 120 N 1.32 3.61 -0.01 3.92 2.01 -0.13 -4.95 115.64 121.41 1mck s THR 120 Ca -0.04 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 60.85 1mck s THR 120 Cb -0.20 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1mck s THR 120 CO 0.01 0.05 0.68 -0.22 -0.69 0.00 0.00 174.62 174.45 1mck s LEU 121 N 1.43 4.39 -0.22 4.42 0.20 -1.26 -0.70 118.68 126.93 1mck s LEU 121 Ca 0.01 1.25 0.02 0.00 0.69 0.00 0.00 54.13 56.10 1mck s LEU 121 Cb -0.18 -3.06 0.04 0.00 -0.43 0.00 0.00 46.19 42.57 1mck s LEU 121 CO 0.01 0.00 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.58 1mck s PHE 122 N 0.18 2.94 0.58 5.38 0.40 0.36 -5.01 117.98 122.82 1mck s PHE 122 Ca 0.35 -1.97 -0.17 0.00 -0.60 0.00 0.00 56.93 54.54 1mck s PHE 122 Cb -0.19 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1mck s PHE 122 CO 0.19 -0.83 1.10 -1.25 0.70 0.00 0.00 175.22 175.13 1mck s PRO 123 N 1.22 3.20 -0.15 0.24 0.04 -1.26 -2.29 135.00 136.00 1mck s PRO 123 Ca -0.03 1.45 -0.34 0.00 0.04 0.00 0.00 61.00 62.12 1mck s PRO 123 Cb -0.17 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1mck s PRO 123 CO -0.08 -0.94 1.97 -0.35 0.04 0.00 0.00 177.00 177.64 1mck n PRO 124 N -1.76 1.96 -2.01 0.56 -0.04 -1.12 -4.92 135.00 127.67 1mck n PRO 124 Ca 0.10 0.68 -0.38 0.00 -0.04 0.00 0.00 63.50 63.87 1mck n PRO 124 Cb 0.52 -2.67 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 1mck n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1mck s SER 125 N 5.10 5.76 0.06 3.54 1.04 -1.26 -4.80 113.70 123.13 1mck s SER 125 Ca 0.97 2.56 -0.11 0.00 0.48 0.00 0.00 55.95 59.85 1mck s SER 125 Cb -0.69 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 62.79 1mck s SER 125 CO 0.50 -1.22 0.58 -1.54 0.98 0.00 0.00 173.24 172.54 1mck n SER 126 N -0.68 -0.36 -0.17 7.02 3.41 -1.10 -0.08 113.62 121.66 1mck n SER 126 Ca 0.08 0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1mck n SER 126 Cb 0.46 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1mck n SER 126 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1mck h GLU 127 N 0.00 0.82 -0.88 4.33 9.09 -1.92 0.83 114.58 126.85 1mck h GLU 127 Ca 0.06 -0.21 0.24 0.00 0.05 0.00 0.00 59.36 59.49 1mck h GLU 127 Cb 0.14 -0.10 -0.15 0.00 -1.65 0.00 0.00 28.75 26.99 1mck h GLU 127 CO -0.32 0.81 0.15 0.93 0.05 0.00 0.00 179.01 180.63 1mck h GLU 128 N 0.70 0.13 -0.45 1.06 5.08 -0.76 0.51 114.58 120.85 1mck h GLU 128 Ca 0.15 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1mck h GLU 128 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1mck h GLU 128 CO 0.01 0.09 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.94 1mck h LEU 129 N 0.14 0.86 -1.57 1.33 3.38 -0.49 0.49 115.31 119.44 1mck h LEU 129 Ca 0.54 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1mck h LEU 129 Cb 1.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1mck h LEU 129 CO -0.72 1.02 0.23 1.56 0.09 0.00 0.00 178.44 180.62 1mck h GLN 130 N 0.69 0.51 0.00 1.13 7.50 0.23 0.98 115.11 126.16 1mck h GLN 130 Ca 0.11 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.17 1mck h GLN 130 Cb 0.64 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1mck h GLN 130 CO 0.04 0.36 -0.24 0.00 -1.50 0.00 0.00 178.83 177.49 1mck h ALA 131 N 1.73 0.84 0.00 3.87 0.00 -0.57 -3.48 119.26 121.65 1mck h ALA 131 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mck h ALA 131 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mck h ALA 131 CO -0.03 0.30 0.00 -1.71 0.00 0.00 0.00 179.25 177.81 1mck n ASN 132 N -3.16 -0.91 -4.45 0.00 4.05 0.34 -5.09 115.26 106.04 1mck n ASN 132 Ca 0.03 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.78 1mck n ASN 132 Cb 0.63 -0.18 -0.12 0.00 1.23 0.00 0.00 39.78 41.34 1mck n ASN 132 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1mck s LYS 133 N -1.08 1.63 -0.03 1.20 -2.85 0.00 -4.52 119.74 114.09 1mck s LYS 133 Ca 0.00 -1.36 0.04 0.00 -1.00 0.00 0.00 55.97 53.66 1mck s LYS 133 Cb 0.00 -1.97 -0.01 0.00 -2.06 0.00 0.00 37.83 33.79 1mck s LYS 133 CO 0.00 0.44 -0.16 0.00 0.10 0.00 0.00 175.35 175.73 1mck s ALA 134 N -1.39 1.37 0.01 0.59 0.00 0.02 -3.17 121.76 119.20 1mck s ALA 134 Ca 0.19 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1mck s ALA 134 Cb -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1mck s ALA 134 CO 0.10 0.29 -0.05 0.99 0.00 0.00 0.00 175.76 177.09 1mck s THR 135 N -0.16 0.35 -0.20 0.00 2.01 -1.26 -0.44 115.64 115.95 1mck s THR 135 Ca 0.01 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1mck s THR 135 Cb -0.08 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1mck s THR 135 CO 0.01 -0.09 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.92 1mck s LEU 136 N -0.60 2.41 -0.32 4.42 1.02 0.57 -2.77 118.68 123.41 1mck s LEU 136 Ca -0.03 -0.72 -0.09 0.00 0.02 0.00 0.00 54.13 53.31 1mck s LEU 136 Cb -0.04 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.64 1mck s LEU 136 CO -0.00 -0.03 0.14 -0.69 0.02 0.00 0.00 176.35 175.79 1mck s VAL 137 N 1.29 4.41 -0.40 -1.59 1.01 -0.97 -1.35 120.40 122.80 1mck s VAL 137 Ca 0.03 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1mck s VAL 137 Cb -0.14 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1mck s VAL 137 CO -0.11 0.03 0.62 0.00 0.00 0.00 0.00 175.10 175.64 1mck s LEU 139 N 2.70 5.08 -0.58 0.00 2.96 0.12 -0.89 118.68 128.08 1mck s LEU 139 Ca 0.22 -1.06 -0.18 0.00 -0.22 0.00 0.00 54.13 52.90 1mck s LEU 139 Cb -0.14 -2.40 0.11 0.00 0.50 0.00 0.00 46.19 44.25 1mck s LEU 139 CO 0.17 -0.95 0.64 -0.63 -1.32 0.00 0.00 176.35 174.26 1mck s ILE 140 N 2.64 4.94 0.45 6.68 1.09 0.27 -0.95 121.20 136.31 1mck s ILE 140 Ca 0.14 -1.15 0.05 0.00 -1.10 0.00 0.00 60.65 58.60 1mck s ILE 140 Cb -0.21 -4.44 -0.05 0.00 -1.06 0.00 0.00 42.46 36.70 1mck s ILE 140 CO 0.10 -1.05 0.07 -0.94 -0.10 0.00 0.00 174.94 173.02 1mck s SER 141 N 3.61 4.10 -1.23 3.58 1.04 0.14 -0.07 113.70 124.88 1mck s SER 141 Ca 0.09 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1mck s SER 141 Cb -0.26 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1mck s SER 141 CO 0.05 -0.62 0.00 0.47 0.98 0.00 0.00 173.24 174.13 1mck n ASP 142 N -1.15 -4.11 -4.96 7.02 8.00 -0.82 -1.08 116.55 119.46 1mck n ASP 142 Ca -0.08 0.20 -0.22 0.00 0.71 0.00 0.00 54.79 55.40 1mck n ASP 142 Cb 0.66 -3.54 0.02 0.00 -0.02 0.00 0.00 41.12 38.24 1mck n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1mck s PHE 143 N -2.58 3.14 -0.29 1.24 -0.71 -0.58 -4.64 117.98 113.55 1mck s PHE 143 Ca 0.00 0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 55.88 1mck s PHE 143 Cb 0.00 -2.39 0.16 0.00 -1.21 0.00 0.00 43.02 39.58 1mck s PHE 143 CO 0.00 -0.45 1.02 -0.47 -1.34 0.00 0.00 175.22 173.98 1mck s TYR 144 N -2.58 -0.52 0.00 3.49 6.14 -0.48 -0.27 117.35 123.14 1mck s TYR 144 Ca 0.50 1.00 0.00 0.00 0.64 0.00 0.00 57.07 59.21 1mck s TYR 144 Cb -0.10 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.59 1mck s TYR 144 CO 0.38 -0.26 0.00 -2.30 0.64 0.00 0.00 175.55 174.01 1mck n PRO 145 N 3.93 -0.26 -1.17 4.97 -0.02 -1.26 -0.25 135.00 140.94 1mck n PRO 145 Ca -0.16 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.12 1mck n PRO 145 Cb 0.56 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.24 1mck n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mck n GLY 146 N 1.51 4.27 3.49 -1.23 0.00 -1.26 -4.83 105.19 107.14 1mck n GLY 146 Ca 0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1mck n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mck s ALA 147 N -3.17 3.09 -0.28 4.61 0.00 -1.26 -4.75 121.76 120.00 1mck s ALA 147 Ca 0.56 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1mck s ALA 147 Cb 0.46 -1.76 0.08 0.00 0.00 0.00 0.00 23.12 21.91 1mck s ALA 147 CO 0.11 -0.02 0.73 0.54 0.00 0.00 0.00 175.76 177.12 1mck s VAL 148 N 0.77 0.00 0.37 0.00 0.11 -1.26 -4.38 120.40 116.02 1mck s VAL 148 Ca 0.01 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1mck s VAL 148 Cb -0.14 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1mck s VAL 148 CO 0.02 0.00 0.35 -0.89 -3.33 0.00 0.00 175.10 171.25 1mck s THR 149 N 1.27 3.18 0.01 5.04 2.01 -0.33 -4.90 115.64 121.91 1mck s THR 149 Ca -0.07 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.63 1mck s THR 149 Cb -0.05 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1mck s THR 149 CO -0.14 -0.10 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.92 1mck s VAL 150 N -2.37 0.63 0.02 3.82 1.01 -1.26 -1.11 120.40 121.14 1mck s VAL 150 Ca 0.45 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1mck s VAL 150 Cb -0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1mck s VAL 150 CO 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.36 1mck s ALA 151 N -0.51 0.30 0.32 5.51 0.00 0.42 -5.00 121.76 122.79 1mck s ALA 151 Ca -0.00 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.59 1mck s ALA 151 Cb -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1mck s ALA 151 CO 0.00 -0.04 -0.05 -1.58 0.00 0.00 0.00 175.76 174.09 1mck s TRP 152 N -0.92 2.49 -0.06 0.00 0.52 -1.26 -0.21 118.94 119.51 1mck s TRP 152 Ca -0.08 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.62 1mck s TRP 152 Cb -0.07 -1.32 0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1mck s TRP 152 CO -0.00 0.57 0.14 0.15 0.02 0.00 0.00 176.95 177.82 1mck s LYS 153 N -3.65 0.11 0.09 4.98 1.02 -0.81 -1.49 119.74 120.00 1mck s LYS 153 Ca 0.33 0.29 -0.19 0.00 0.02 0.00 0.00 55.97 56.42 1mck s LYS 153 Cb -0.02 -0.08 -0.08 0.00 -0.52 0.00 0.00 37.83 37.13 1mck s LYS 153 CO 0.18 -0.11 1.60 0.00 -0.92 0.00 0.00 175.35 176.10 1mck h ALA 154 N 6.73 0.30 0.00 5.17 0.00 -0.75 -2.55 119.26 128.16 1mck h ALA 154 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1mck h ALA 154 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1mck h ALA 154 CO 0.43 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1mck n ASP 155 N -4.76 0.00 0.00 0.00 8.00 -1.26 -4.63 116.55 113.90 1mck n ASP 155 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1mck n ASP 155 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1mck n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mck n GLY 156 N 0.00 1.01 3.55 0.44 0.00 -1.26 -4.81 105.19 104.12 1mck n GLY 156 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1mck n GLY 156 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mck n SER 157 N 2.30 -0.09 -4.94 1.61 2.88 -1.26 -4.94 113.62 109.18 1mck n SER 157 Ca 0.00 0.76 -0.25 0.00 -1.33 0.00 0.00 58.87 58.05 1mck n SER 157 Cb 0.00 -1.29 0.03 0.00 -0.75 0.00 0.00 64.21 62.20 1mck n SER 157 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1mck s PRO 158 N -2.51 2.80 -0.37 -1.46 0.02 -1.26 -0.23 135.00 131.99 1mck s PRO 158 Ca 0.73 -0.29 0.03 0.00 0.02 0.00 0.00 61.00 61.49 1mck s PRO 158 Cb -0.42 -2.37 0.11 0.00 0.02 0.00 0.00 34.50 31.84 1mck s PRO 158 CO 0.50 -0.66 0.10 0.08 -0.33 0.00 0.00 177.00 176.69 1mck s VAL 159 N -2.87 2.00 -0.37 3.83 1.01 -0.55 -4.10 120.40 119.35 1mck s VAL 159 Ca 0.54 -2.33 0.06 0.00 0.00 0.00 0.00 61.98 60.25 1mck s VAL 159 Cb -0.10 -2.47 0.57 0.00 0.00 0.00 0.00 36.38 34.38 1mck s VAL 159 CO 0.42 -0.66 1.66 2.29 0.00 0.00 0.00 175.10 178.80 1mck n LYS 160 N 4.14 2.05 -3.70 2.72 0.00 -1.26 -4.02 118.16 118.10 1mck n LYS 160 Ca 0.03 -3.15 -0.13 0.00 -0.00 0.00 0.00 58.31 55.06 1mck n LYS 160 Cb 0.40 -1.98 -0.09 0.00 -0.00 0.00 0.00 35.03 33.35 1mck n LYS 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mck s ALA 161 N -3.30 -1.27 0.00 0.58 0.00 -1.26 -4.89 121.76 111.61 1mck s ALA 161 Ca 0.50 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1mck s ALA 161 Cb 0.44 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1mck s ALA 161 CO 0.04 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1mck n GLY 162 N 2.98 3.14 3.70 0.00 0.00 -1.26 -4.93 105.19 108.82 1mck n GLY 162 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1mck n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mck s VAL 163 N -2.86 4.97 -0.11 1.61 0.11 -1.24 -3.00 120.40 119.86 1mck s VAL 163 Ca 0.00 1.57 0.02 0.00 -2.93 0.00 0.00 61.98 60.64 1mck s VAL 163 Cb 0.00 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1mck s VAL 163 CO 0.00 0.16 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.13 1mck s GLU 164 N 1.34 3.19 -0.24 1.54 0.41 -0.16 -4.96 118.70 119.82 1mck s GLU 164 Ca 0.39 -0.78 -0.02 0.00 -0.41 0.00 0.00 54.97 54.15 1mck s GLU 164 Cb -0.18 -2.46 0.07 0.00 -1.78 0.00 0.00 34.13 29.79 1mck s GLU 164 CO 0.17 0.21 0.06 -0.08 -0.49 0.00 0.00 175.26 175.13 1mck s THR 165 N 0.31 0.58 0.56 3.63 -1.32 -1.26 0.03 115.64 118.17 1mck s THR 165 Ca -0.14 -0.82 -0.20 0.00 -1.21 0.00 0.00 61.69 59.32 1mck s THR 165 Cb -0.17 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1mck s THR 165 CO 0.07 -0.39 1.26 0.42 -2.21 0.00 0.00 174.62 173.77 1mck s THR 166 N 1.81 2.45 0.15 5.08 -4.23 0.26 -4.95 115.64 116.20 1mck s THR 166 Ca 0.03 0.31 0.09 0.00 -1.18 0.00 0.00 61.69 60.93 1mck s THR 166 Cb -0.17 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1mck s THR 166 CO -0.16 -0.04 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.23 1mck s LYS 167 N -3.11 2.00 -0.31 3.99 -0.14 -1.26 -3.81 119.74 117.10 1mck s LYS 167 Ca 0.74 -1.21 -0.28 0.00 -1.36 0.00 0.00 55.97 53.86 1mck s LYS 167 Cb -0.34 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.62 1mck s LYS 167 CO 0.39 0.46 1.77 -2.14 -0.76 0.00 0.00 175.35 175.06 1mck s PRO 168 N -2.55 3.41 1.18 -1.68 0.02 -1.26 -4.96 135.00 129.15 1mck s PRO 168 Ca 0.23 1.46 -0.19 0.00 0.02 0.00 0.00 61.00 62.52 1mck s PRO 168 Cb -0.10 -4.17 0.28 0.00 0.02 0.00 0.00 34.50 30.53 1mck s PRO 168 CO 0.14 -1.77 1.13 -1.12 -0.33 0.00 0.00 177.00 175.04 1mck s SER 169 N 5.79 1.16 -0.01 2.53 0.01 -0.18 -4.66 113.70 118.33 1mck s SER 169 Ca 0.79 0.62 0.07 0.00 1.31 0.00 0.00 55.95 58.73 1mck s SER 169 Cb -0.23 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 1mck s SER 169 CO 0.33 -3.97 -0.21 -0.54 0.41 0.00 0.00 173.24 169.26 1mck s LYS 170 N -5.43 1.66 0.48 12.44 1.02 -1.26 -0.65 119.74 127.99 1mck s LYS 170 Ca 0.71 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.96 1mck s LYS 170 Cb -0.09 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1mck s LYS 170 CO 0.56 0.44 0.02 1.14 -0.92 0.00 0.00 175.35 176.59 1mck s GLN 171 N -0.56 2.11 0.37 1.68 -2.07 0.05 -4.92 119.66 116.33 1mck s GLN 171 Ca 0.08 -2.32 0.06 0.00 -1.82 0.00 0.00 55.36 51.36 1mck s GLN 171 Cb -0.08 -1.38 0.31 0.00 -1.09 0.00 0.00 33.01 30.77 1mck s GLN 171 CO -0.01 -0.34 1.01 1.03 -1.32 0.00 0.00 175.29 175.67 1mck h SER 172 N 1.49 0.00 -0.09 12.60 0.87 -2.02 0.53 113.55 126.93 1mck h SER 172 Ca -0.43 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1mck h SER 172 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1mck h SER 172 CO 0.72 0.00 -0.04 -0.46 -0.53 0.00 0.00 176.83 176.52 1mck n ASN 173 N -1.97 2.73 -2.72 6.23 0.23 -1.26 -4.96 115.26 113.54 1mck n ASN 173 Ca -0.00 -3.17 -0.18 0.00 -0.53 0.00 0.00 54.58 50.69 1mck n ASN 173 Cb 0.61 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1mck n ASN 173 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1mck n ASN 174 N -1.14 -4.70 -4.42 0.53 5.15 0.18 -4.95 115.26 105.92 1mck n ASN 174 Ca 0.19 -0.05 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 1mck n ASN 174 Cb 0.74 -3.91 -0.13 0.00 -0.53 0.00 0.00 39.78 35.95 1mck n ASN 174 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1mck s LYS 175 N -5.35 1.87 0.37 1.20 1.02 -1.25 -4.91 119.74 112.68 1mck s LYS 175 Ca 0.13 -1.09 -0.10 0.00 0.02 0.00 0.00 55.97 54.93 1mck s LYS 175 Cb -0.07 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1mck s LYS 175 CO 0.16 0.51 0.72 0.71 -0.92 0.00 0.00 175.35 176.53 1mck s TYR 176 N -0.94 3.46 -0.09 3.18 1.51 0.63 -0.77 117.35 124.33 1mck s TYR 176 Ca 0.14 0.98 -0.04 0.00 -1.01 0.00 0.00 57.07 57.14 1mck s TYR 176 Cb -0.10 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1mck s TYR 176 CO 0.05 -0.02 0.21 0.00 -1.11 0.00 0.00 175.55 174.68 1mck s ALA 177 N -2.25 -0.45 0.12 3.71 0.00 0.17 -1.52 121.76 121.54 1mck s ALA 177 Ca 0.50 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1mck s ALA 177 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1mck s ALA 177 CO 0.29 -0.18 0.01 0.00 0.00 0.00 0.00 175.76 175.88 1mck s ALA 178 N 1.22 0.96 0.04 0.00 0.00 0.90 -1.01 121.76 123.87 1mck s ALA 178 Ca -0.09 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1mck s ALA 178 Cb -0.11 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1mck s ALA 178 CO -0.08 -0.38 0.08 -1.54 0.00 0.00 0.00 175.76 173.84 1mck s SER 179 N -3.06 0.21 0.02 0.00 1.04 -1.25 -0.57 113.70 110.09 1mck s SER 179 Ca 0.19 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 56.06 1mck s SER 179 Cb 0.07 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1mck s SER 179 CO -0.01 -0.51 -0.06 -0.94 0.98 0.00 0.00 173.24 172.71 1mck s SER 180 N -2.18 0.64 -0.02 7.02 1.04 -0.07 -0.58 113.70 119.56 1mck s SER 180 Ca -0.04 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1mck s SER 180 Cb -0.01 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1mck s SER 180 CO -0.05 -0.08 -0.02 -0.72 0.98 0.00 0.00 173.24 173.34 1mck s TYR 181 N -0.75 0.40 -0.25 5.02 -0.85 0.10 0.17 117.35 121.20 1mck s TYR 181 Ca -0.05 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.36 1mck s TYR 181 Cb -0.06 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 1mck s TYR 181 CO 0.00 -0.09 0.10 -1.17 -1.52 0.00 0.00 175.55 172.87 1mck s LEU 182 N 0.54 3.63 -0.32 -3.49 0.20 -0.46 -0.99 118.68 117.80 1mck s LEU 182 Ca -0.06 -0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.53 1mck s LEU 182 Cb -0.09 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 1mck s LEU 182 CO -0.01 -0.00 0.21 -0.94 -0.29 0.00 0.00 176.35 175.32 1mck s SER 183 N 1.45 5.96 0.04 3.68 1.04 -1.16 -0.32 113.70 124.39 1mck s SER 183 Ca 0.06 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.14 1mck s SER 183 Cb -0.15 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 1mck s SER 183 CO 0.05 -0.18 -0.00 -1.48 0.98 0.00 0.00 173.24 172.60 1mck s LEU 184 N 1.71 2.29 0.37 2.42 0.05 0.42 -4.80 118.68 121.14 1mck s LEU 184 Ca 0.06 -0.78 -0.27 0.00 0.05 0.00 0.00 54.13 53.19 1mck s LEU 184 Cb -0.17 0.26 -0.09 0.00 -2.05 0.00 0.00 46.19 44.14 1mck s LEU 184 CO 0.10 -0.51 1.21 0.42 -0.55 0.00 0.00 176.35 177.02 1mck s THR 185 N -3.03 3.02 0.55 5.48 -4.23 -1.26 -0.80 115.64 115.37 1mck s THR 185 Ca -0.01 0.92 0.24 0.00 -1.18 0.00 0.00 61.69 61.65 1mck s THR 185 Cb 0.01 -3.54 0.33 0.00 1.34 0.00 0.00 72.50 70.64 1mck s THR 185 CO -0.07 0.14 2.13 -0.65 -0.54 0.00 0.00 174.62 175.63 1mck h PRO 186 N 2.96 0.00 0.00 3.99 0.11 -1.87 0.24 132.00 137.43 1mck h PRO 186 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1mck h PRO 186 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1mck h PRO 186 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1mck n GLU 187 N -4.19 0.00 -0.34 1.05 4.71 -1.26 -0.20 120.64 120.42 1mck n GLU 187 Ca 0.01 0.70 0.19 0.00 -0.01 0.00 0.00 57.16 58.04 1mck n GLU 187 Cb 0.24 -1.28 0.36 0.00 -1.01 0.00 0.00 31.44 29.76 1mck n GLU 187 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1mck h GLN 188 N 0.00 0.01 0.80 3.49 4.20 -0.97 0.72 115.11 123.36 1mck h GLN 188 Ca 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1mck h GLN 188 Cb 0.00 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1mck h GLN 188 CO 0.00 0.01 -0.40 2.35 -0.67 0.00 0.00 178.83 180.12 1mck h TRP 189 N 0.01 -1.03 0.00 2.96 -0.00 -0.15 -2.79 115.95 114.94 1mck h TRP 189 Ca 0.66 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.53 1mck h TRP 189 Cb 1.48 0.35 0.00 0.00 -0.00 0.00 0.00 29.16 30.99 1mck h TRP 189 CO -0.38 -0.64 0.00 0.87 -0.00 0.00 0.00 178.44 178.29 1mck h LYS 190 N -1.09 0.00 -0.11 2.65 1.57 0.89 -3.18 116.57 117.30 1mck h LYS 190 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1mck h LYS 190 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1mck h LYS 190 CO 0.17 0.00 0.02 0.66 -0.57 0.00 0.00 179.45 179.73 1mck h SER 191 N 0.00 0.17 -3.69 0.86 4.64 -0.66 -3.47 113.55 111.40 1mck h SER 191 Ca 0.00 -0.25 -0.49 0.00 -0.47 0.00 0.00 61.79 60.59 1mck h SER 191 Cb 0.58 -0.05 0.05 0.00 -0.31 0.00 0.00 62.40 62.67 1mck h SER 191 CO 0.00 0.37 0.17 -1.00 -0.87 0.00 0.00 176.83 175.50 1mck s HIS 192 N -5.23 3.43 0.12 4.77 3.76 -1.14 -5.00 115.29 116.01 1mck s HIS 192 Ca -0.14 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.59 1mck s HIS 192 Cb 0.05 -2.54 -0.19 0.00 1.11 0.00 0.00 32.58 31.02 1mck s HIS 192 CO 0.70 -0.56 1.26 -0.09 -0.85 0.00 0.00 174.74 175.20 1mck h ARG 193 N -0.01 0.09 -1.19 1.40 2.43 -1.88 -3.44 114.38 111.78 1mck h ARG 193 Ca -0.46 -0.14 0.26 0.00 -0.81 0.00 0.00 59.98 58.83 1mck h ARG 193 Cb 1.23 0.05 -0.23 0.00 -0.42 0.00 0.00 29.97 30.59 1mck h ARG 193 CO 0.61 1.04 0.90 -1.12 -1.51 0.00 0.00 179.97 179.89 1mck s SER 194 N -6.85 -0.08 -0.11 -3.80 0.01 -1.26 -4.46 113.70 97.15 1mck s SER 194 Ca -0.01 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.33 1mck s SER 194 Cb 0.09 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1mck s SER 194 CO 0.84 -0.10 -0.23 -0.31 0.41 0.00 0.00 173.24 173.84 1mck s TYR 195 N -1.64 2.59 0.31 2.43 1.51 0.73 -4.08 117.35 119.20 1mck s TYR 195 Ca 0.09 -1.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.09 1mck s TYR 195 Cb -0.01 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1mck s TYR 195 CO -0.05 -0.47 0.33 -1.12 -1.11 0.00 0.00 175.55 173.13 1mck s SER 196 N 0.47 5.58 -0.26 2.29 0.01 -0.96 -0.21 113.70 120.62 1mck s SER 196 Ca -0.16 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1mck s SER 196 Cb -0.17 -1.18 0.07 0.00 0.21 0.00 0.00 66.02 64.95 1mck s SER 196 CO 0.06 -0.30 0.01 0.00 0.41 0.00 0.00 173.24 173.42 1mck s GLN 198 N 1.44 4.18 -0.08 0.00 0.74 0.71 -0.67 119.66 125.98 1mck s GLN 198 Ca 0.01 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.46 1mck s GLN 198 Cb -0.18 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.46 1mck s GLN 198 CO -0.11 0.10 -0.08 0.08 -0.55 0.00 0.00 175.29 174.73 1mck s VAL 199 N 0.90 0.93 -0.20 1.34 1.01 0.95 -0.44 120.40 124.90 1mck s VAL 199 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1mck s VAL 199 Cb -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1mck s VAL 199 CO 0.05 0.33 -0.15 -0.89 0.00 0.00 0.00 175.10 174.44 1mck s THR 200 N 1.22 2.42 -0.07 3.92 2.01 -0.27 -0.91 115.64 123.96 1mck s THR 200 Ca -0.05 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 1mck s THR 200 Cb -0.14 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1mck s THR 200 CO -0.02 0.45 0.02 -2.28 -0.69 0.00 0.00 174.62 172.10 1mck s HIS 201 N 1.32 0.51 -1.56 4.92 2.46 0.03 -1.19 115.29 121.79 1mck s HIS 201 Ca 0.04 -0.08 -0.05 0.00 0.47 0.00 0.00 55.06 55.44 1mck s HIS 201 Cb -0.14 -0.72 0.05 0.00 -0.13 0.00 0.00 32.58 31.63 1mck s HIS 201 CO -0.10 -0.31 0.12 0.39 -2.47 0.00 0.00 174.74 172.38 1mck n GLU 202 N 5.19 -0.90 0.00 2.88 -0.58 -1.26 -0.03 120.64 125.94 1mck n GLU 202 Ca -0.06 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1mck n GLU 202 Cb 0.50 -3.67 0.00 0.00 -0.57 0.00 0.00 31.44 27.70 1mck n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mck n GLY 203 N -2.21 3.05 3.57 0.62 0.00 -1.26 -4.98 105.19 103.98 1mck n GLY 203 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1mck n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mck s SER 204 N -0.77 6.36 0.19 1.61 0.01 0.96 -5.02 113.70 117.04 1mck s SER 204 Ca 0.00 -0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 1mck s SER 204 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 1mck s SER 204 CO 0.00 -1.59 0.65 -0.89 0.41 0.00 0.00 173.24 171.83 1mck s THR 205 N 5.22 4.69 0.04 1.44 2.01 -1.26 -0.79 115.64 126.99 1mck s THR 205 Ca 0.42 1.10 0.04 0.00 0.31 0.00 0.00 61.69 63.55 1mck s THR 205 Cb -0.08 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1mck s THR 205 CO 0.23 0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 1mck s VAL 206 N -1.50 0.94 -0.03 3.82 1.01 -0.09 -4.99 120.40 119.55 1mck s VAL 206 Ca 0.41 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1mck s VAL 206 Cb -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1mck s VAL 206 CO 0.20 -0.06 -0.01 -0.70 0.00 0.00 0.00 175.10 174.53 1mck s GLU 207 N -1.13 0.39 0.00 2.72 2.12 -1.26 -0.03 118.70 121.51 1mck s GLU 207 Ca -0.01 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.44 1mck s GLU 207 Cb -0.08 -0.55 -0.03 0.00 0.26 0.00 0.00 34.13 33.74 1mck s GLU 207 CO 0.01 -0.13 -0.20 0.15 -0.54 0.00 0.00 175.26 174.55 1mck s LYS 208 N 1.02 2.15 0.14 4.30 -0.14 0.15 -4.98 119.74 122.38 1mck s LYS 208 Ca -0.10 -0.91 0.11 0.00 -1.36 0.00 0.00 55.97 53.71 1mck s LYS 208 Cb -0.14 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 1mck s LYS 208 CO -0.01 0.56 -0.25 0.99 -0.76 0.00 0.00 175.35 175.88 1mck s THR 209 N -0.78 2.36 -0.04 2.17 2.01 -1.26 -0.17 115.64 119.93 1mck s THR 209 Ca 0.12 -1.77 0.01 0.00 0.31 0.00 0.00 61.69 60.36 1mck s THR 209 Cb -0.10 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1mck s THR 209 CO 0.02 0.05 -0.05 0.54 -0.69 0.00 0.00 174.62 174.49 1mck s VAL 210 N -1.19 0.59 -0.05 3.82 0.11 0.70 -4.98 120.40 119.41 1mck s VAL 210 Ca 0.16 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1mck s VAL 210 Cb -0.10 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1mck s VAL 210 CO 0.07 0.23 -0.14 0.00 -3.33 0.00 0.00 175.10 171.93 1mck s ALA 211 N 0.79 2.66 -0.74 1.54 0.00 -1.26 -0.20 121.76 124.55 1mck s ALA 211 Ca -0.11 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1mck s ALA 211 Cb -0.14 -0.98 -0.15 0.00 0.00 0.00 0.00 23.12 21.85 1mck s ALA 211 CO 0.01 0.54 2.47 -2.30 0.00 0.00 0.00 175.76 176.48 1mck n PRO 212 N 2.37 0.56 0.05 0.00 -0.02 -1.26 -4.14 135.00 132.56 1mck n PRO 212 Ca -0.17 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1mck n PRO 212 Cb 0.52 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1mck n PRO 212 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1mck n THR 213 N 7.74 0.00 0.00 3.45 -2.24 -1.26 -5.11 114.28 116.85 1mck n THR 213 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1mck n THR 213 Cb 0.34 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1mck n THR 213 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mck n GLU 214 N -2.73 0.00 0.00 -0.78 1.02 -1.26 -4.75 120.64 112.15 1mck n GLU 214 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mck n GLU 214 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1mck n GLU 214 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31