#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n95 h TYR 24 N 0.00 0.36 -0.33 -1.77 3.20 -1.98 -2.28 116.97 114.18 1n95 h TYR 24 Ca 0.00 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1n95 h TYR 24 Cb 0.00 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1n95 h TYR 24 CO 0.00 -0.08 -0.19 0.77 -1.64 0.00 0.00 178.16 177.03 1n95 h SER 25 N 0.30 0.73 0.00 -2.11 0.02 -1.96 -3.19 113.55 107.34 1n95 h SER 25 Ca 0.45 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1n95 h SER 25 Cb 0.80 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1n95 h SER 25 CO -0.52 0.99 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 1n95 n LEU 26 N -4.32 0.00 -4.77 5.07 4.77 -0.89 -4.84 117.00 112.02 1n95 n LEU 26 Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1n95 n LEU 26 Cb 0.41 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1n95 n LEU 26 CO 0.43 0.00 0.73 -0.13 -1.33 0.00 0.00 177.39 177.09 1n95 s ARG 27 N -2.00 2.52 0.32 3.23 0.52 -1.02 -4.96 118.95 117.55 1n95 s ARG 27 Ca 0.42 1.32 0.16 0.00 -0.52 0.00 0.00 55.73 57.11 1n95 s ARG 27 Cb 0.19 -1.92 0.40 0.00 0.52 0.00 0.00 34.95 34.14 1n95 s ARG 27 CO 0.33 -1.46 1.60 -1.35 0.02 0.00 0.00 175.30 174.43 1n95 h PRO 28 N -0.49 0.00 0.00 3.54 0.11 -1.90 -3.26 132.00 129.99 1n95 h PRO 28 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1n95 h PRO 28 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1n95 h PRO 28 CO 0.52 0.49 -0.37 1.05 -0.21 0.00 0.00 178.00 179.48 1n95 h GLU 29 N 0.00 0.00 0.00 1.05 9.09 -1.94 -3.19 114.58 119.59 1n95 h GLU 29 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.40 1n95 h GLU 29 Cb 1.13 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1n95 h GLU 29 CO 0.06 0.20 -0.00 1.25 0.05 0.00 0.00 179.01 180.57 1n95 h HIS 30 N 0.00 0.00 0.00 2.06 2.76 -1.85 -0.70 115.15 117.42 1n95 h HIS 30 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1n95 h HIS 30 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1n95 h HIS 30 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 1n95 n ALA 31 N -2.09 1.83 1.06 5.26 0.00 -1.20 -1.10 120.51 124.27 1n95 n ALA 31 Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1n95 n ALA 31 Cb 0.14 -1.27 0.35 0.00 0.00 0.00 0.00 19.45 18.66 1n95 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n95 n ARG 32 N -1.42 0.16 -0.01 0.00 1.74 -0.27 -3.40 116.66 113.45 1n95 n ARG 32 Ca 0.06 -0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1n95 n ARG 32 Cb 0.17 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.65 1n95 n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1n95 n GLU 33 N -1.35 1.08 -1.13 5.56 -0.58 -0.26 -4.86 120.64 119.10 1n95 n GLU 33 Ca 0.07 -0.12 -0.32 0.00 -0.42 0.00 0.00 57.16 56.37 1n95 n GLU 33 Cb 0.33 -1.30 0.12 0.00 -0.57 0.00 0.00 31.44 30.02 1n95 n GLU 33 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1n95 s ARG 34 N -1.98 1.73 0.11 3.49 6.06 -1.22 -3.90 118.95 123.24 1n95 s ARG 34 Ca 0.28 1.58 -0.31 0.00 -2.50 0.00 0.00 55.73 54.78 1n95 s ARG 34 Cb 0.13 -1.80 -0.09 0.00 0.06 0.00 0.00 34.95 33.25 1n95 s ARG 34 CO 0.22 -2.11 1.64 -1.17 -2.50 0.00 0.00 175.30 171.38 1n95 s LEU 35 N -5.83 4.37 -0.59 -0.88 2.96 -1.26 -4.97 118.68 112.47 1n95 s LEU 35 Ca 0.69 2.56 -0.20 0.00 -0.22 0.00 0.00 54.13 56.96 1n95 s LEU 35 Cb -0.25 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 42.95 1n95 s LEU 35 CO 0.52 -0.87 0.77 -1.10 -1.32 0.00 0.00 176.35 174.34 1n95 s GLN 36 N 2.08 3.09 0.47 1.98 -1.52 -1.26 -4.92 119.66 119.58 1n95 s GLN 36 Ca 0.73 -1.08 0.26 0.00 -1.95 0.00 0.00 55.36 53.32 1n95 s GLN 36 Cb -0.42 -4.22 1.07 0.00 -0.22 0.00 0.00 33.01 29.22 1n95 s GLN 36 CO 0.32 -1.56 1.89 0.22 -0.25 0.00 0.00 175.29 175.91 1n95 h ASP 37 N 9.26 0.00 0.00 5.90 -0.00 -1.94 -3.46 116.42 126.18 1n95 h ASP 37 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1n95 h ASP 37 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.41 1n95 h ASP 37 CO 1.10 0.18 0.00 0.47 -0.00 0.00 0.00 179.24 180.99 1n95 n ASP 38 N -3.39 -3.33 0.00 2.28 8.00 -1.26 -2.32 116.55 116.53 1n95 n ASP 38 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1n95 n ASP 38 Cb 0.38 -1.79 0.00 0.00 -0.02 0.00 0.00 41.12 39.70 1n95 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1n95 n SER 39 N -0.37 -0.67 -4.21 -2.24 7.64 -1.26 -4.89 113.62 107.63 1n95 n SER 39 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1n95 n SER 39 Cb 0.18 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 61.89 1n95 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n95 s VAL 40 N -2.27 4.89 -0.05 0.44 1.01 -0.98 -5.05 120.40 118.39 1n95 s VAL 40 Ca 0.00 -3.22 -0.25 0.00 0.00 0.00 0.00 61.98 58.51 1n95 s VAL 40 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1n95 s VAL 40 CO 0.00 -1.05 0.75 -1.83 0.00 0.00 0.00 175.10 172.97 1n95 s GLU 41 N -0.67 4.46 0.37 2.72 -1.05 -1.26 -4.96 118.70 118.30 1n95 s GLU 41 Ca 0.23 0.97 0.04 0.00 -0.15 0.00 0.00 54.97 56.07 1n95 s GLU 41 Cb -0.12 -3.45 -0.06 0.00 -0.44 0.00 0.00 34.13 30.06 1n95 s GLU 41 CO -0.08 0.05 0.05 0.95 0.95 0.00 0.00 175.26 177.17 1n95 s THR 42 N 0.83 1.33 0.56 1.83 -4.23 -1.26 -4.98 115.64 109.72 1n95 s THR 42 Ca 0.40 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.24 1n95 s THR 42 Cb -0.18 -2.76 0.49 0.00 1.34 0.00 0.00 72.50 71.38 1n95 s THR 42 CO 0.20 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.63 1n95 h VAL 43 N 1.95 0.35 0.03 2.29 2.07 -2.00 -0.71 116.25 120.24 1n95 h VAL 43 Ca -0.41 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 1n95 h VAL 43 Cb 1.25 0.42 0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1n95 h VAL 43 CO 0.72 0.00 -0.82 0.74 0.02 0.00 0.00 177.57 178.22 1n95 h THR 44 N 0.00 1.38 0.46 2.57 2.02 -1.94 -2.98 112.91 114.42 1n95 h THR 44 Ca 0.46 -2.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.40 1n95 h THR 44 Cb 2.04 2.63 -0.00 0.00 -1.74 0.00 0.00 68.15 71.08 1n95 h THR 44 CO -0.00 0.66 -0.26 0.28 0.37 0.00 0.00 175.52 176.56 1n95 h SER 45 N 0.03 -0.65 -0.59 4.18 0.02 -1.52 -1.63 113.55 113.39 1n95 h SER 45 Ca -0.11 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1n95 h SER 45 Cb 1.53 0.18 -0.10 0.00 0.14 0.00 0.00 62.40 64.15 1n95 h SER 45 CO 0.16 -0.42 -0.47 0.40 -1.14 0.00 0.00 176.83 175.36 1n95 h ILE 46 N -0.68 0.06 -0.58 3.27 2.04 -1.52 0.31 117.51 120.40 1n95 h ILE 46 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1n95 h ILE 46 Cb 0.55 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1n95 h ILE 46 CO 0.07 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 178.17 1n95 h GLU 47 N -0.24 0.84 -0.10 2.37 4.39 -1.43 -1.49 114.58 118.92 1n95 h GLU 47 Ca 0.16 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1n95 h GLU 47 Cb 0.56 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1n95 h GLU 47 CO -0.70 0.69 0.06 0.37 -1.16 0.00 0.00 179.01 178.27 1n95 h GLN 48 N 0.80 0.14 -0.10 2.33 5.75 -0.58 -1.67 115.11 121.78 1n95 h GLN 48 Ca 0.20 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1n95 h GLN 48 Cb 0.12 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1n95 h GLN 48 CO -0.02 0.15 0.08 0.00 -2.65 0.00 0.00 178.83 176.38 1n95 h ALA 49 N 0.98 1.98 -0.15 3.38 0.00 -0.20 -0.70 119.26 124.55 1n95 h ALA 49 Ca 0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1n95 h ALA 49 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n95 h ALA 49 CO -0.01 -0.12 -0.29 0.87 0.00 0.00 0.00 179.25 179.70 1n95 h LYS 50 N 0.00 0.47 -0.42 0.00 1.57 -0.37 -2.56 116.57 115.27 1n95 h LYS 50 Ca 0.05 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1n95 h LYS 50 Cb 0.20 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1n95 h LYS 50 CO -0.00 0.90 0.08 0.28 -0.57 0.00 0.00 179.45 180.14 1n95 h VAL 51 N 0.09 1.24 -0.86 0.50 2.07 -0.74 -2.66 116.25 115.88 1n95 h VAL 51 Ca 0.01 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.80 1n95 h VAL 51 Cb 0.88 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1n95 h VAL 51 CO 0.07 0.30 0.48 -0.33 0.02 0.00 0.00 177.57 178.10 1n95 h GLU 52 N 0.54 0.70 -0.27 1.57 5.08 -1.11 -0.09 114.58 120.99 1n95 h GLU 52 Ca 0.13 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1n95 h GLU 52 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1n95 h GLU 52 CO 0.01 0.46 -0.04 0.93 -1.00 0.00 0.00 179.01 179.37 1n95 h GLU 53 N 0.72 0.51 -0.16 2.33 4.39 -1.24 0.23 114.58 121.36 1n95 h GLU 53 Ca 0.45 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1n95 h GLU 53 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1n95 h GLU 53 CO -0.32 0.70 0.01 0.87 -1.16 0.00 0.00 179.01 179.12 1n95 h LYS 54 N 0.28 0.23 0.13 2.33 1.57 -1.04 -1.54 116.57 118.52 1n95 h LYS 54 Ca 0.07 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 1n95 h LYS 54 Cb 0.50 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.79 1n95 h LYS 54 CO 0.02 0.24 -1.07 0.82 -0.57 0.00 0.00 179.45 178.90 1n95 h ILE 55 N 0.23 1.37 -0.24 1.86 1.08 -0.81 -3.09 117.51 117.90 1n95 h ILE 55 Ca 0.06 -2.46 0.06 0.00 -0.39 0.00 0.00 64.86 62.13 1n95 h ILE 55 Cb 0.14 2.89 -0.07 0.00 -3.07 0.00 0.00 36.82 36.71 1n95 h ILE 55 CO 0.00 0.73 -0.20 -0.61 -0.69 0.00 0.00 178.15 177.38 1n95 h GLN 56 N 0.01 -0.19 -0.67 2.37 5.75 -0.05 0.18 115.11 122.51 1n95 h GLN 56 Ca -0.17 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1n95 h GLN 56 Cb 1.79 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 30.28 1n95 h GLN 56 CO 0.20 -0.13 -0.51 0.93 -2.65 0.00 0.00 178.83 176.67 1n95 h GLU 57 N -0.20 -0.20 -0.65 1.69 5.08 -1.34 0.27 114.58 119.23 1n95 h GLU 57 Ca 0.14 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1n95 h GLU 57 Cb 0.41 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 1n95 h GLU 57 CO -0.36 -0.13 0.17 0.28 -1.00 0.00 0.00 179.01 177.96 1n95 h VAL 58 N -0.21 0.63 0.63 3.13 2.07 -1.21 0.25 116.25 121.54 1n95 h VAL 58 Ca 0.15 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1n95 h VAL 58 Cb 0.54 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1n95 h VAL 58 CO -0.75 0.05 -0.40 -0.26 0.02 0.00 0.00 177.57 176.23 1n95 h PHE 59 N 0.30 -1.08 0.00 1.57 0.05 0.13 -1.38 116.94 116.53 1n95 h PHE 59 Ca 0.35 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.13 1n95 h PHE 59 Cb 0.53 0.39 0.00 0.00 2.00 0.00 0.00 35.95 38.87 1n95 h PHE 59 CO -0.24 -0.59 0.00 0.43 -0.18 0.00 0.00 178.31 177.73 1n95 n SER 60 N -4.93 0.00 -0.30 2.17 7.64 0.66 -3.66 113.62 115.20 1n95 n SER 60 Ca -0.12 -0.18 0.10 0.00 1.01 0.00 0.00 58.87 59.68 1n95 n SER 60 Cb 0.41 -0.01 0.22 0.00 -1.01 0.00 0.00 64.21 63.82 1n95 n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1n95 h SER 61 N 0.00 -0.39 0.61 6.43 0.87 0.65 -2.42 113.55 119.31 1n95 h SER 61 Ca 0.00 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1n95 h SER 61 Cb 0.00 0.40 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1n95 h SER 61 CO 0.00 -0.25 -0.29 1.88 -0.53 0.00 0.00 176.83 177.64 1n95 h TYR 62 N 0.08 -0.76 -0.53 2.24 -1.99 -1.78 -3.11 116.97 111.13 1n95 h TYR 62 Ca 0.50 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.30 1n95 h TYR 62 Cb 0.97 0.25 -0.10 0.00 2.00 0.00 0.00 36.73 39.84 1n95 h TYR 62 CO -0.45 -0.43 -0.43 0.87 -0.00 0.00 0.00 178.16 177.72 1n95 h LYS 63 N -0.94 -0.25 -0.78 4.88 1.57 -1.72 -0.84 116.57 118.49 1n95 h LYS 63 Ca -0.08 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1n95 h LYS 63 Cb 0.67 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1n95 h LYS 63 CO 0.14 -0.16 0.51 0.74 -0.57 0.00 0.00 179.45 180.10 1n95 h PHE 64 N -0.26 0.84 0.00 -1.35 -1.00 -1.60 -3.05 116.94 110.53 1n95 h PHE 64 Ca 0.17 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1n95 h PHE 64 Cb 0.57 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1n95 h PHE 64 CO -0.68 0.44 -0.65 0.09 -1.61 0.00 0.00 178.31 175.90 1n95 n ASN 65 N -4.49 0.59 -2.71 2.17 3.02 -0.52 -5.01 115.26 108.32 1n95 n ASN 65 Ca 0.12 -0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 1n95 n ASN 65 Cb 0.23 0.40 0.06 0.00 -0.61 0.00 0.00 39.78 39.87 1n95 n ASN 65 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1n95 n HIS 66 N -1.63 -1.63 -4.38 3.10 8.25 -0.44 -5.05 115.22 113.44 1n95 n HIS 66 Ca 0.05 0.67 -0.19 0.00 -0.26 0.00 0.00 57.72 57.99 1n95 n HIS 66 Cb 0.36 -4.13 -0.10 0.00 1.12 0.00 0.00 29.99 27.24 1n95 n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1n95 s LEU 67 N -5.14 2.28 0.00 2.41 1.43 -1.25 -5.11 118.68 113.30 1n95 s LEU 67 Ca 0.07 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.75 1n95 s LEU 67 Cb -0.03 -0.40 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 1n95 s LEU 67 CO 0.52 -0.48 0.50 -0.69 0.23 0.00 0.00 176.35 176.42 1n95 s VAL 68 N -3.27 4.95 0.17 -1.59 1.01 -1.26 -4.77 120.40 115.64 1n95 s VAL 68 Ca 0.30 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 1n95 s VAL 68 Cb 0.06 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1n95 s VAL 68 CO 0.11 0.51 1.57 -2.84 0.00 0.00 0.00 175.10 174.45 1n95 s PRO 69 N -0.68 4.21 -0.37 2.72 0.02 -1.26 -4.98 135.00 134.67 1n95 s PRO 69 Ca 0.27 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1n95 s PRO 69 Cb -0.17 -3.15 0.13 0.00 0.02 0.00 0.00 34.50 31.33 1n95 s PRO 69 CO 0.15 -0.61 0.20 0.50 -0.33 0.00 0.00 177.00 176.92 1n95 s ARG 70 N 1.05 0.74 -0.06 5.54 3.52 -1.26 -5.10 118.95 123.39 1n95 s ARG 70 Ca 0.70 -1.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 1n95 s ARG 70 Cb -0.44 -1.64 -0.06 0.00 -1.56 0.00 0.00 34.95 31.26 1n95 s ARG 70 CO 0.32 -1.16 1.70 -0.51 -0.81 0.00 0.00 175.30 174.84 1n95 s LEU 71 N 1.00 4.29 0.00 -0.88 1.02 -1.26 -4.96 118.68 117.90 1n95 s LEU 71 Ca 0.16 2.24 0.00 0.00 0.02 0.00 0.00 54.13 56.56 1n95 s LEU 71 Cb -0.22 -3.53 -0.00 0.00 0.02 0.00 0.00 46.19 42.45 1n95 s LEU 71 CO -0.05 -0.98 -0.01 -0.69 0.02 0.00 0.00 176.35 174.65 1n95 s VAL 72 N 4.23 0.08 -0.51 -1.59 1.01 -1.26 -2.21 120.40 120.14 1n95 s VAL 72 Ca 0.75 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1n95 s VAL 72 Cb -0.34 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 35.99 1n95 s VAL 72 CO 0.31 -0.08 0.65 -0.22 0.00 0.00 0.00 175.10 175.76 1n95 s LEU 73 N -0.29 4.91 0.00 3.92 2.96 -1.26 -4.93 118.68 123.99 1n95 s LEU 73 Ca -0.03 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1n95 s LEU 73 Cb -0.02 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1n95 s LEU 73 CO -0.00 -0.92 0.89 0.00 -1.32 0.00 0.00 176.35 175.00 1n95 n GLN 74 N 6.26 0.00 -0.28 1.98 1.13 -1.26 -4.59 117.38 120.62 1n95 n GLN 74 Ca -0.06 -0.42 0.12 0.00 -1.94 0.00 0.00 57.00 54.71 1n95 n GLN 74 Cb 0.45 -1.88 0.37 0.00 0.11 0.00 0.00 30.24 29.29 1n95 n GLN 74 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1n95 h ARG 75 N 7.59 0.68 -0.04 -1.09 2.43 -1.97 0.33 114.38 122.32 1n95 h ARG 75 Ca 0.00 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1n95 h ARG 75 Cb 0.00 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1n95 h ARG 75 CO 0.89 0.45 -0.34 0.93 -1.51 0.00 0.00 179.97 180.39 1n95 h GLU 76 N 0.70 0.30 -0.86 0.20 4.39 -1.99 -0.51 114.58 116.81 1n95 h GLU 76 Ca 0.47 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.93 1n95 h GLU 76 Cb 0.76 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.43 1n95 h GLU 76 CO -0.23 0.93 0.57 -0.22 -1.16 0.00 0.00 179.01 178.91 1n95 h LYS 77 N -0.24 1.08 -0.27 2.33 1.63 -1.83 -0.43 116.57 118.83 1n95 h LYS 77 Ca -0.03 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.55 1n95 h LYS 77 Cb 1.02 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1n95 h LYS 77 CO 0.07 0.72 -0.46 0.45 -3.45 0.00 0.00 179.45 176.77 1n95 h HIS 78 N 1.11 0.87 -0.54 1.91 3.86 -0.94 -2.70 115.15 118.73 1n95 h HIS 78 Ca 0.33 -0.28 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1n95 h HIS 78 Cb -0.04 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1n95 h HIS 78 CO -0.00 1.04 -0.03 0.35 0.86 0.00 0.00 177.93 180.16 1n95 h PHE 79 N 0.57 1.03 0.00 2.45 3.57 -0.20 -1.53 116.94 122.83 1n95 h PHE 79 Ca 0.03 -0.17 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 1n95 h PHE 79 Cb 1.02 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1n95 h PHE 79 CO 0.05 0.94 -0.49 0.45 -2.23 0.00 0.00 178.31 177.03 1n95 h HIS 80 N 0.87 0.00 0.23 0.41 3.86 -1.04 0.60 115.15 120.08 1n95 h HIS 80 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1n95 h HIS 80 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1n95 h HIS 80 CO 0.03 0.49 -0.11 -0.92 0.86 0.00 0.00 177.93 178.29 1n95 h TYR 81 N 0.00 -0.28 -0.03 2.45 3.20 -1.25 -2.90 116.97 118.16 1n95 h TYR 81 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1n95 h TYR 81 Cb 1.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1n95 h TYR 81 CO 0.00 0.10 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.54 1n95 h LEU 82 N -0.86 -0.05 -1.47 2.82 3.38 -1.27 -2.05 115.31 115.80 1n95 h LEU 82 Ca -0.03 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.15 1n95 h LEU 82 Cb 0.51 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1n95 h LEU 82 CO 0.05 -0.02 0.60 0.50 0.09 0.00 0.00 178.44 179.66 1n95 h LYS 83 N -0.01 0.42 0.09 1.13 3.64 -0.96 -1.67 116.57 119.21 1n95 h LYS 83 Ca 0.02 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1n95 h LYS 83 Cb 0.04 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1n95 h LYS 83 CO -0.04 0.28 -0.84 0.00 -2.27 0.00 0.00 179.45 176.58 1n95 h ARG 84 N 0.43 0.40 0.00 1.90 2.47 -1.26 -3.32 114.38 115.01 1n95 h ARG 84 Ca 0.48 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1n95 h ARG 84 Cb 1.16 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1n95 h ARG 84 CO -0.19 1.23 0.00 0.78 0.56 0.00 0.00 179.97 182.35 1n95 h GLY 85 N -0.15 0.00 2.00 0.04 0.00 -0.75 -0.96 103.07 103.25 1n95 h GLY 85 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1n95 h GLY 85 CO 0.16 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.70 1n95 h LEU 86 N 0.00 0.00 0.01 3.11 5.85 -1.42 -3.30 115.31 119.56 1n95 h LEU 86 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 1n95 h LEU 86 Cb 0.39 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1n95 h LEU 86 CO 0.00 0.00 -2.43 -1.14 -0.34 0.00 0.00 178.44 174.53 1n95 n ARG 87 N -2.82 0.65 -3.57 1.25 3.00 -0.46 -5.06 116.66 109.65 1n95 n ARG 87 Ca 0.03 0.19 -0.12 0.00 -0.00 0.00 0.00 57.85 57.95 1n95 n ARG 87 Cb 0.38 -1.53 -0.05 0.00 0.00 0.00 0.00 32.46 31.25 1n95 n ARG 87 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1n95 s GLN 88 N -2.52 0.69 0.16 -0.14 -2.07 -0.63 -5.15 119.66 110.01 1n95 s GLN 88 Ca -0.35 0.20 0.08 0.00 -1.82 0.00 0.00 55.36 53.48 1n95 s GLN 88 Cb 0.10 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1n95 s GLN 88 CO 0.59 -0.21 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.66 1n95 s LEU 89 N -1.04 2.43 0.99 2.60 1.43 -1.26 -4.20 118.68 119.63 1n95 s LEU 89 Ca -0.03 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 1n95 s LEU 89 Cb -0.01 -0.80 0.19 0.00 0.03 0.00 0.00 46.19 45.61 1n95 s LEU 89 CO 0.03 -0.05 1.17 0.42 0.23 0.00 0.00 176.35 178.16 1n95 s THR 90 N -2.05 1.90 -1.62 5.49 -4.23 -1.26 -4.88 115.64 108.99 1n95 s THR 90 Ca 0.15 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 1n95 s THR 90 Cb -0.06 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.22 1n95 s THR 90 CO 0.06 0.00 1.07 -0.90 -0.54 0.00 0.00 174.62 174.31 1n95 n ASP 91 N -4.01 0.00 0.15 3.99 3.85 -1.26 -1.15 116.55 118.13 1n95 n ASP 91 Ca 0.10 0.02 0.13 0.00 -0.71 0.00 0.00 54.79 54.33 1n95 n ASP 91 Cb 0.59 -0.19 0.51 0.00 -1.35 0.00 0.00 41.12 40.69 1n95 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n95 h ALA 92 N 2.44 1.00 -0.54 2.12 0.00 -2.05 -1.92 119.26 120.30 1n95 h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n95 h ALA 92 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n95 h ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1n95 n TYR 93 N -2.38 1.96 0.22 0.00 4.02 -0.30 -4.28 117.16 116.41 1n95 n TYR 93 Ca 0.02 -0.74 0.09 0.00 -0.01 0.00 0.00 57.90 57.25 1n95 n TYR 93 Cb 0.26 -0.49 0.49 0.00 -0.02 0.00 0.00 39.34 39.58 1n95 n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1n95 h GLU 94 N 3.77 0.00 0.00 -0.72 5.08 -1.53 -2.60 114.58 118.57 1n95 h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n95 h GLU 94 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1n95 h GLU 94 CO 0.46 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1n95 n LEU 96 N -1.57 2.55 0.07 0.00 4.77 -0.98 -4.69 117.00 117.13 1n95 n LEU 96 Ca 0.05 -3.50 0.08 0.00 -0.03 0.00 0.00 56.01 52.61 1n95 n LEU 96 Cb 0.24 -0.48 0.37 0.00 -2.33 0.00 0.00 43.42 41.23 1n95 n LEU 96 CO 0.19 1.06 0.76 -0.67 -1.33 0.00 0.00 177.39 177.41 1n95 n ASP 97 N -1.27 0.33 -0.65 -1.43 2.03 -1.04 -1.34 116.55 113.18 1n95 n ASP 97 Ca 0.18 0.60 0.07 0.00 0.52 0.00 0.00 54.79 56.15 1n95 n ASP 97 Cb 0.67 -0.66 0.19 0.00 -0.72 0.00 0.00 41.12 40.59 1n95 n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n95 n ALA 98 N -1.64 2.52 -2.40 -1.67 0.00 -1.26 -4.53 120.51 111.53 1n95 n ALA 98 Ca 0.02 -1.76 -0.08 0.00 0.00 0.00 0.00 53.44 51.63 1n95 n ALA 98 Cb 0.15 -0.51 0.05 0.00 0.00 0.00 0.00 19.45 19.14 1n95 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n95 n SER 99 N -0.18 2.71 -0.10 0.00 7.64 -0.45 -3.95 113.62 119.30 1n95 n SER 99 Ca 0.15 -2.80 -0.09 0.00 1.01 0.00 0.00 58.87 57.13 1n95 n SER 99 Cb 0.63 -0.41 0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1n95 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1n95 h ARG 100 N 2.13 0.82 0.00 1.43 3.08 -0.97 -1.78 114.38 119.08 1n95 h ARG 100 Ca 0.04 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1n95 h ARG 100 Cb 1.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1n95 h ARG 100 CO 0.36 1.00 -0.03 -1.35 -1.07 0.00 0.00 179.97 178.89 1n95 h PRO 101 N 0.70 0.00 -0.26 0.04 0.11 -1.83 -1.76 132.00 129.01 1n95 h PRO 101 Ca 0.08 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 1n95 h PRO 101 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1n95 h PRO 101 CO 0.07 0.03 -0.46 -1.49 -0.21 0.00 0.00 178.00 175.93 1n95 h TRP 102 N 0.00 0.96 -0.58 0.65 4.06 -1.65 -1.48 115.95 117.91 1n95 h TRP 102 Ca -0.00 -0.34 -0.03 0.00 2.06 0.00 0.00 58.89 60.58 1n95 h TRP 102 Cb 0.24 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1n95 h TRP 102 CO 0.00 1.14 0.25 -0.07 -3.56 0.00 0.00 178.44 176.20 1n95 h LEU 103 N 0.51 0.76 0.01 -4.49 3.38 -0.92 0.17 115.31 114.73 1n95 h LEU 103 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n95 h LEU 103 Cb 1.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n95 h LEU 103 CO 0.10 0.67 -0.01 0.00 0.09 0.00 0.00 178.44 179.30 1n95 h TYR 105 N -0.22 0.05 -0.41 0.00 3.20 -0.59 0.17 116.97 119.16 1n95 h TYR 105 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1n95 h TYR 105 Cb 0.22 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1n95 h TYR 105 CO -0.00 0.03 0.21 -1.49 -1.64 0.00 0.00 178.16 175.27 1n95 h TRP 106 N 0.05 0.40 0.25 -3.82 6.55 -0.70 -1.19 115.95 117.49 1n95 h TRP 106 Ca 0.01 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 1n95 h TRP 106 Cb -0.00 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 1n95 h TRP 106 CO -0.08 0.21 -0.12 0.82 -1.05 0.00 0.00 178.44 178.22 1n95 h ILE 107 N 0.43 0.78 0.00 1.49 2.04 -1.31 -1.80 117.51 119.14 1n95 h ILE 107 Ca 0.17 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1n95 h ILE 107 Cb 0.07 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1n95 h ILE 107 CO -0.11 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.36 1n95 n LEU 108 N -5.07 0.00 -0.03 1.44 4.32 0.58 -1.12 117.00 117.12 1n95 n LEU 108 Ca -0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.88 1n95 n LEU 108 Cb 0.26 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.01 1n95 n LEU 108 CO 0.30 0.00 -0.68 1.57 -1.22 0.00 0.00 177.39 177.35 1n95 n HIS 109 N -0.99 0.00 -0.04 -1.77 -0.00 -0.46 -3.68 115.22 108.28 1n95 n HIS 109 Ca 0.06 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.10 1n95 n HIS 109 Cb 0.03 -0.29 -0.08 0.00 -0.12 0.00 0.00 29.99 29.53 1n95 n HIS 109 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1n95 h SER 110 N 0.00 0.41 -0.77 0.26 0.02 -0.37 -0.48 113.55 112.63 1n95 h SER 110 Ca -0.14 -0.58 0.03 0.00 -0.84 0.00 0.00 61.79 60.26 1n95 h SER 110 Cb 1.18 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 1n95 h SER 110 CO 0.01 0.92 0.49 -0.07 -1.14 0.00 0.00 176.83 177.04 1n95 h LEU 111 N -0.07 0.83 -1.30 5.07 3.38 -1.35 0.15 115.31 122.02 1n95 h LEU 111 Ca -0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1n95 h LEU 111 Cb 0.86 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1n95 h LEU 111 CO 0.06 0.58 0.51 -0.08 0.09 0.00 0.00 178.44 179.59 1n95 h GLU 112 N 0.97 0.84 0.00 1.13 4.81 -1.57 0.11 114.58 120.88 1n95 h GLU 112 Ca 0.30 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.26 1n95 h GLU 112 Cb -0.02 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1n95 h GLU 112 CO -0.10 0.56 -1.11 -0.07 -0.73 0.00 0.00 179.01 177.56 1n95 h LEU 113 N 0.87 0.00 -0.17 1.64 3.38 0.15 -3.13 115.31 118.04 1n95 h LEU 113 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1n95 h LEU 113 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1n95 h LEU 113 CO -0.11 0.97 0.00 0.18 0.09 0.00 0.00 178.44 179.58 1n95 n LEU 114 N -3.28 0.26 -1.90 1.67 4.77 0.42 -1.67 117.00 117.26 1n95 n LEU 114 Ca -0.03 -0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 1n95 n LEU 114 Cb 0.95 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.96 1n95 n LEU 114 CO 0.46 0.06 -0.21 -0.67 -1.33 0.00 0.00 177.39 175.70 1n95 n ASP 115 N -0.51 -5.29 -4.89 -1.43 2.03 -0.63 -4.97 116.55 100.86 1n95 n ASP 115 Ca 0.09 0.30 -0.29 0.00 0.52 0.00 0.00 54.79 55.40 1n95 n ASP 115 Cb 0.08 -4.59 0.03 0.00 -0.72 0.00 0.00 41.12 35.92 1n95 n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1n95 s GLU 116 N -4.21 3.15 0.43 -0.67 0.41 0.30 -5.01 118.70 113.10 1n95 s GLU 116 Ca 0.00 0.37 -0.23 0.00 -0.41 0.00 0.00 54.97 54.70 1n95 s GLU 116 Cb 0.00 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.11 1n95 s GLU 116 CO 0.00 -0.72 1.04 -1.25 -0.49 0.00 0.00 175.26 173.84 1n95 s PRO 117 N -5.13 4.06 -0.66 0.39 0.04 -1.26 -4.54 135.00 127.89 1n95 s PRO 117 Ca 0.55 1.45 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1n95 s PRO 117 Cb -0.11 -2.39 0.17 0.00 0.04 0.00 0.00 34.50 32.21 1n95 s PRO 117 CO 0.50 -0.22 0.47 0.42 0.04 0.00 0.00 177.00 178.21 1n95 s ILE 118 N -1.78 2.57 -0.07 0.56 -1.09 -1.26 -5.03 121.20 115.10 1n95 s ILE 118 Ca 0.61 -4.06 -0.28 0.00 -2.23 0.00 0.00 60.65 54.69 1n95 s ILE 118 Cb -0.20 -2.69 -0.14 0.00 -1.58 0.00 0.00 42.46 37.86 1n95 s ILE 118 CO 0.25 -1.03 0.80 -2.65 -1.23 0.00 0.00 174.94 171.08 1n95 n PRO 119 N 2.10 0.00 0.00 2.79 -0.02 -1.26 -4.56 135.00 134.05 1n95 n PRO 119 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1n95 n PRO 119 Cb 0.37 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1n95 n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n95 n GLN 120 N 1.36 0.00 -0.11 -0.52 6.02 -1.26 -0.82 117.38 122.05 1n95 n GLN 120 Ca 0.15 0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 57.25 1n95 n GLN 120 Cb 0.04 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 1n95 n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1n95 n ILE 121 N -1.24 1.25 -0.12 5.09 -0.00 -1.26 -4.07 119.36 119.02 1n95 n ILE 121 Ca 0.00 -0.47 -0.12 0.00 -0.00 0.00 0.00 62.75 62.16 1n95 n ILE 121 Cb 0.14 -1.32 -0.03 0.00 -0.00 0.00 0.00 39.64 38.44 1n95 n ILE 121 CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 1n95 h VAL 122 N -0.07 1.29 -0.82 1.39 3.04 -1.30 -1.88 116.25 117.89 1n95 h VAL 122 Ca -0.50 -1.30 0.07 0.00 -1.01 0.00 0.00 66.70 63.96 1n95 h VAL 122 Cb 1.74 1.37 -0.05 0.00 -2.01 0.00 0.00 31.29 32.33 1n95 h VAL 122 CO -0.10 0.43 0.54 0.00 -1.01 0.00 0.00 177.57 177.43 1n95 h ALA 123 N 0.79 1.62 -0.13 3.17 0.00 -1.34 0.77 119.26 124.13 1n95 h ALA 123 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1n95 h ALA 123 Cb 0.72 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n95 h ALA 123 CO 0.05 0.25 -0.02 1.15 0.00 0.00 0.00 179.25 180.69 1n95 h THR 124 N 0.88 1.27 -0.58 0.00 2.02 -1.63 -0.56 112.91 114.33 1n95 h THR 124 Ca 0.36 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.69 1n95 h THR 124 Cb 0.26 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1n95 h THR 124 CO -0.13 0.26 0.28 0.44 0.37 0.00 0.00 175.52 176.74 1n95 h ASP 125 N -0.05 0.37 -0.41 4.18 3.32 -0.53 0.50 116.42 123.80 1n95 h ASP 125 Ca 0.03 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1n95 h ASP 125 Cb 0.41 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1n95 h ASP 125 CO 0.01 0.24 0.16 0.58 -1.72 0.00 0.00 179.24 178.51 1n95 h VAL 126 N 0.52 0.91 -0.96 -1.35 2.07 -0.72 0.53 116.25 117.25 1n95 h VAL 126 Ca 0.27 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1n95 h VAL 126 Cb 0.22 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1n95 h VAL 126 CO -0.21 0.06 0.63 0.00 0.02 0.00 0.00 177.57 178.08 1n95 h GLN 128 N 1.30 0.60 -0.08 0.00 4.15 0.98 -2.40 115.11 119.66 1n95 h GLN 128 Ca 0.35 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1n95 h GLN 128 Cb -0.15 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 1n95 h GLN 128 CO -0.08 0.98 -0.14 0.35 -1.93 0.00 0.00 178.83 178.02 1n95 h PHE 129 N 0.47 0.30 -0.31 3.99 3.57 0.54 -3.02 116.94 122.47 1n95 h PHE 129 Ca 0.01 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1n95 h PHE 129 Cb 1.08 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1n95 h PHE 129 CO 0.05 0.73 0.20 -0.07 -2.23 0.00 0.00 178.31 176.99 1n95 h LEU 130 N -0.21 0.36 -1.59 0.59 3.38 -1.00 0.18 115.31 117.02 1n95 h LEU 130 Ca 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n95 h LEU 130 Cb 0.70 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1n95 h LEU 130 CO 0.03 0.27 -0.03 -0.08 0.09 0.00 0.00 178.44 178.72 1n95 h GLU 131 N 0.43 0.22 0.00 1.13 4.81 -1.35 0.00 114.58 119.82 1n95 h GLU 131 Ca 0.11 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1n95 h GLU 131 Cb -0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1n95 h GLU 131 CO -0.02 0.27 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.02 1n95 h LEU 132 N 0.22 0.00 0.06 1.64 3.38 -0.55 -3.19 115.31 116.86 1n95 h LEU 132 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1n95 h LEU 132 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n95 h LEU 132 CO 0.01 0.43 -1.23 0.00 0.09 0.00 0.00 178.44 177.74 1n95 s GLN 134 N -2.67 4.12 0.10 0.00 0.74 -0.12 -0.74 119.66 121.09 1n95 s GLN 134 Ca -0.03 2.57 -0.09 0.00 0.05 0.00 0.00 55.36 57.86 1n95 s GLN 134 Cb 0.08 -2.99 -0.06 0.00 1.10 0.00 0.00 33.01 31.15 1n95 s GLN 134 CO 0.84 -0.56 0.41 0.45 -0.55 0.00 0.00 175.29 175.89 1n95 s SER 135 N 0.04 6.63 0.11 6.67 0.15 0.09 -4.88 113.70 122.50 1n95 s SER 135 Ca 0.56 0.79 0.13 0.00 0.70 0.00 0.00 55.95 58.13 1n95 s SER 135 Cb -0.47 -2.18 0.61 0.00 -1.71 0.00 0.00 66.02 62.27 1n95 s SER 135 CO 0.59 0.14 1.41 -0.81 1.20 0.00 0.00 173.24 175.77 1n95 n PRO 136 N 0.74 0.06 -0.15 5.44 -0.04 -1.26 -0.09 135.00 139.71 1n95 n PRO 136 Ca -0.07 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1n95 n PRO 136 Cb 0.52 -1.65 0.23 0.00 -0.04 0.00 0.00 33.50 32.56 1n95 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n95 n ASP 137 N -1.78 3.09 0.00 3.54 8.00 -1.26 -5.04 116.55 123.10 1n95 n ASP 137 Ca 0.01 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1n95 n ASP 137 Cb 0.11 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1n95 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n95 n GLY 138 N 1.43 1.26 0.62 0.44 0.00 0.88 -3.91 105.19 105.90 1n95 n GLY 138 Ca 0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1n95 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n95 n GLY 139 N 1.28 -2.65 3.22 -0.02 0.00 -1.26 -4.38 105.19 101.38 1n95 n GLY 139 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1n95 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n95 s PHE 140 N -0.89 1.53 0.50 1.61 0.40 -1.26 -0.73 117.98 119.14 1n95 s PHE 140 Ca 0.00 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1n95 s PHE 140 Cb 0.00 -0.87 0.09 0.00 0.51 0.00 0.00 43.02 42.75 1n95 s PHE 140 CO 0.00 0.11 0.69 0.41 0.70 0.00 0.00 175.22 177.13 1n95 n GLY 141 N 1.46 1.37 0.00 4.36 0.00 0.09 -0.73 105.19 111.74 1n95 n GLY 141 Ca -0.19 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 43.85 1n95 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n95 n GLY 142 N -0.66 -1.44 3.84 -0.02 0.00 -1.25 -4.65 105.19 101.01 1n95 n GLY 142 Ca 0.13 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1n95 n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n95 s GLY 143 N -2.90 -0.25 0.19 -0.02 0.00 -1.26 -0.68 107.32 102.39 1n95 s GLY 143 Ca 0.17 0.33 -0.33 0.00 0.00 0.00 0.00 44.72 44.89 1n95 s GLY 143 CO 0.52 3.58 1.46 -1.05 0.00 0.00 0.00 173.10 177.61 1n95 n PRO 144 N -0.75 1.96 -0.97 2.90 -0.02 -1.26 -2.04 135.00 134.82 1n95 n PRO 144 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1n95 n PRO 144 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1n95 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n95 n GLY 145 N 2.72 0.87 3.86 -1.23 0.00 -1.24 -5.00 105.19 105.17 1n95 n GLY 145 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1n95 n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n95 s GLN 146 N -0.03 3.84 0.41 1.61 -0.21 -0.87 -5.03 119.66 119.38 1n95 s GLN 146 Ca 0.00 0.30 -0.26 0.00 0.02 0.00 0.00 55.36 55.42 1n95 s GLN 146 Cb 0.00 -2.85 -0.10 0.00 1.00 0.00 0.00 33.01 31.06 1n95 s GLN 146 CO 0.00 0.44 1.32 0.66 -2.12 0.00 0.00 175.29 175.60 1n95 n TYR 147 N 0.46 2.34 -1.81 0.91 0.53 -1.26 -3.98 117.16 114.35 1n95 n TYR 147 Ca -0.04 0.49 -0.38 0.00 -1.02 0.00 0.00 57.90 56.95 1n95 n TYR 147 Cb 0.52 -2.41 0.04 0.00 -1.03 0.00 0.00 39.34 36.46 1n95 n TYR 147 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 1n95 s PRO 148 N -2.21 3.02 -0.03 -0.72 0.04 -1.26 -4.26 135.00 129.58 1n95 s PRO 148 Ca 0.60 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.70 1n95 s PRO 148 Cb -0.50 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1n95 s PRO 148 CO 0.59 -1.26 0.20 -1.58 0.04 0.00 0.00 177.00 174.99 1n95 s HIS 149 N -1.35 -0.10 0.39 0.56 2.46 0.09 -4.64 115.29 112.72 1n95 s HIS 149 Ca 0.74 0.19 0.13 0.00 0.47 0.00 0.00 55.06 56.59 1n95 s HIS 149 Cb -0.39 0.02 0.80 0.00 -0.13 0.00 0.00 32.58 32.88 1n95 s HIS 149 CO 0.44 -0.24 1.87 -0.07 -2.47 0.00 0.00 174.74 174.27 1n95 h LEU 150 N 4.74 0.01 0.26 8.88 3.38 -0.72 -2.11 115.31 129.75 1n95 h LEU 150 Ca -0.29 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1n95 h LEU 150 Cb 1.19 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1n95 h LEU 150 CO 0.39 0.32 -0.13 0.00 0.09 0.00 0.00 178.44 179.12 1n95 h ALA 151 N 1.68 -0.35 -0.16 1.53 0.00 -1.92 -0.13 119.26 119.91 1n95 h ALA 151 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1n95 h ALA 151 Cb 0.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n95 h ALA 151 CO 0.04 -0.58 -0.07 -1.35 0.00 0.00 0.00 179.25 177.29 1n95 h PRO 152 N -0.59 0.24 0.04 0.00 0.11 -1.81 -2.11 132.00 127.87 1n95 h PRO 152 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1n95 h PRO 152 Cb 0.43 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1n95 h PRO 152 CO 0.06 0.32 -0.02 1.15 -0.21 0.00 0.00 178.00 179.31 1n95 h THR 153 N 0.23 1.16 -0.62 -1.15 2.02 -1.29 0.32 112.91 113.58 1n95 h THR 153 Ca 0.05 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.70 1n95 h THR 153 Cb 0.28 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1n95 h THR 153 CO 0.01 0.16 0.29 0.22 0.37 0.00 0.00 175.52 176.56 1n95 h TYR 154 N -0.32 0.51 -0.11 3.16 3.20 -0.79 -1.26 116.97 121.36 1n95 h TYR 154 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1n95 h TYR 154 Cb 0.29 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1n95 h TYR 154 CO 0.02 0.20 0.03 0.00 -1.64 0.00 0.00 178.16 176.76 1n95 h ALA 155 N 1.37 0.14 -0.23 1.82 0.00 -1.14 -1.86 119.26 119.36 1n95 h ALA 155 Ca 0.29 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1n95 h ALA 155 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n95 h ALA 155 CO -0.24 -0.23 0.09 0.00 0.00 0.00 0.00 179.25 178.87 1n95 h ALA 156 N 0.82 0.27 -0.56 0.00 0.00 -0.11 -0.07 119.26 119.60 1n95 h ALA 156 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n95 h ALA 156 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1n95 h ALA 156 CO 0.00 -0.32 0.36 0.28 0.00 0.00 0.00 179.25 179.57 1n95 h VAL 157 N 0.21 1.12 -0.85 0.00 2.07 -1.21 0.61 116.25 118.19 1n95 h VAL 157 Ca 0.10 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1n95 h VAL 157 Cb 0.05 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1n95 h VAL 157 CO -0.09 0.13 0.42 0.78 0.02 0.00 0.00 177.57 178.84 1n95 h ASN 158 N 0.73 1.10 0.95 0.57 4.21 -0.92 -1.51 115.58 120.72 1n95 h ASN 158 Ca 0.21 -0.13 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1n95 h ASN 158 Cb -0.05 -0.28 0.01 0.00 -1.12 0.00 0.00 38.32 36.88 1n95 h ASN 158 CO -0.06 0.92 -0.46 0.00 -1.29 0.00 0.00 177.43 176.54 1n95 h ALA 159 N 1.23 -1.29 -1.10 -0.83 0.00 -0.41 -0.76 119.26 116.09 1n95 h ALA 159 Ca 0.29 -0.28 0.30 0.00 0.00 0.00 0.00 54.91 55.23 1n95 h ALA 159 Cb 0.10 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1n95 h ALA 159 CO -0.04 -1.20 0.75 -0.07 0.00 0.00 0.00 179.25 178.69 1n95 h LEU 160 N -1.33 0.22 0.05 0.00 3.38 -0.74 0.99 115.31 117.89 1n95 h LEU 160 Ca -0.13 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.62 1n95 h LEU 160 Cb 0.98 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1n95 h LEU 160 CO 0.22 0.04 -1.18 0.00 0.09 0.00 0.00 178.44 177.61 1n95 h ILE 162 N 0.12 1.20 0.47 0.00 2.04 0.69 -2.33 117.51 119.70 1n95 h ILE 162 Ca -0.13 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1n95 h ILE 162 Cb 1.88 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1n95 h ILE 162 CO 0.20 0.21 -0.23 0.40 0.00 0.00 0.00 178.15 178.73 1n95 h ILE 163 N 1.17 0.00 -4.21 -0.67 2.04 -1.34 -3.49 117.51 111.01 1n95 h ILE 163 Ca 0.33 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 1n95 h ILE 163 Cb -0.09 0.00 0.08 0.00 -0.74 0.00 0.00 36.82 36.07 1n95 h ILE 163 CO -0.09 0.00 -0.34 0.61 0.00 0.00 0.00 178.15 178.34 1n95 n GLY 164 N -0.47 -0.25 3.14 5.37 0.00 0.10 -5.08 105.19 107.99 1n95 n GLY 164 Ca -0.08 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1n95 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n95 s THR 165 N -3.15 0.62 0.33 2.61 -4.23 -1.26 -4.99 115.64 105.56 1n95 s THR 165 Ca 0.18 -1.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1n95 s THR 165 Cb -0.02 -1.49 0.32 0.00 1.34 0.00 0.00 72.50 72.64 1n95 s THR 165 CO 0.37 -0.81 1.70 -0.33 -0.54 0.00 0.00 174.62 175.01 1n95 h GLU 166 N 3.23 0.44 0.48 3.99 4.39 -1.98 -0.03 114.58 125.10 1n95 h GLU 166 Ca -0.35 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1n95 h GLU 166 Cb 1.17 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1n95 h GLU 166 CO 0.61 0.29 -0.23 1.49 -1.16 0.00 0.00 179.01 180.01 1n95 h GLU 167 N 0.45 -0.62 0.39 2.33 4.81 -1.97 -0.81 114.58 119.16 1n95 h GLU 167 Ca 0.68 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.95 1n95 h GLU 167 Cb 1.42 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.93 1n95 h GLU 167 CO -0.54 -0.34 -0.33 0.00 -0.73 0.00 0.00 179.01 177.07 1n95 h ALA 168 N -0.38 -0.73 -0.99 2.92 0.00 -1.48 -1.80 119.26 116.79 1n95 h ALA 168 Ca -0.07 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1n95 h ALA 168 Cb 0.57 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1n95 h ALA 168 CO 0.11 -0.94 0.62 1.88 0.00 0.00 0.00 179.25 180.91 1n95 h TYR 169 N -0.72 1.05 0.00 0.00 0.99 -1.12 -0.33 116.97 116.83 1n95 h TYR 169 Ca -0.03 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1n95 h TYR 169 Cb 0.63 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 38.04 1n95 h TYR 169 CO -0.16 0.30 0.00 0.09 -0.00 0.00 0.00 178.16 178.39 1n95 n ASN 170 N -4.69 0.00 0.02 3.88 3.02 -0.31 -2.53 115.26 114.64 1n95 n ASN 170 Ca 0.22 0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 55.05 1n95 n ASN 170 Cb 0.51 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1n95 n ASN 170 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1n95 h VAL 171 N 0.00 1.34 -2.67 2.41 2.07 -0.59 -3.44 116.25 115.37 1n95 h VAL 171 Ca 0.00 -2.03 -0.56 0.00 0.82 0.00 0.00 66.70 64.93 1n95 h VAL 171 Cb 0.25 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1n95 h VAL 171 CO 0.00 0.62 1.17 -0.63 0.02 0.00 0.00 177.57 178.75 1n95 s ILE 172 N -3.73 3.58 -0.79 4.57 1.01 -1.05 -4.96 121.20 119.83 1n95 s ILE 172 Ca -0.07 0.65 -0.22 0.00 0.00 0.00 0.00 60.65 61.01 1n95 s ILE 172 Cb 0.10 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 39.06 1n95 s ILE 172 CO 0.86 -0.25 1.08 0.21 0.00 0.00 0.00 174.94 176.84 1n95 s ASN 173 N 4.64 6.36 0.37 3.58 3.84 -1.26 -4.90 114.94 127.57 1n95 s ASN 173 Ca 0.75 -1.36 0.09 0.00 0.21 0.00 0.00 52.86 52.56 1n95 s ASN 173 Cb -0.27 -2.43 0.71 0.00 -0.55 0.00 0.00 41.25 38.71 1n95 s ASN 173 CO 0.31 -1.34 1.86 0.03 -2.79 0.00 0.00 177.10 175.16 1n95 h ARG 174 N 9.37 0.20 0.00 0.43 3.08 -1.96 0.28 114.38 125.79 1n95 h ARG 174 Ca -0.09 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 1n95 h ARG 174 Cb 1.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1n95 h ARG 174 CO 1.19 0.42 -0.65 1.05 -1.07 0.00 0.00 179.97 180.91 1n95 h GLU 175 N 0.18 0.00 0.01 0.04 9.09 -1.98 -2.91 114.58 119.01 1n95 h GLU 175 Ca 0.03 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.17 1n95 h GLU 175 Cb 0.51 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.57 1n95 h GLU 175 CO 0.03 0.65 -1.48 0.87 0.05 0.00 0.00 179.01 179.13 1n95 h LYS 176 N 0.00 0.03 -0.51 1.06 1.79 -1.85 -3.23 116.57 113.86 1n95 h LYS 176 Ca -0.01 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1n95 h LYS 176 Cb 1.29 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1n95 h LYS 176 CO 0.08 0.72 0.01 1.25 -1.08 0.00 0.00 179.45 180.44 1n95 h LEU 177 N 0.01 0.83 -0.30 2.94 5.85 -0.92 -1.02 115.31 122.70 1n95 h LEU 177 Ca -0.20 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1n95 h LEU 177 Cb 1.94 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1n95 h LEU 177 CO 0.10 0.89 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.94 1n95 h LEU 178 N 0.80 0.59 -0.16 2.25 3.38 -1.62 0.49 115.31 121.04 1n95 h LEU 178 Ca 0.15 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1n95 h LEU 178 Cb 0.47 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1n95 h LEU 178 CO 0.02 0.82 -0.25 1.56 0.09 0.00 0.00 178.44 180.68 1n95 h GLN 179 N 0.35 -0.28 0.03 1.13 4.20 -1.49 0.10 115.11 119.15 1n95 h GLN 179 Ca 0.08 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1n95 h GLN 179 Cb 0.56 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1n95 h GLN 179 CO 0.03 -0.19 -0.13 -0.92 -0.67 0.00 0.00 178.83 176.95 1n95 h TYR 180 N -0.29 -0.33 -0.66 2.96 3.20 -1.08 0.79 116.97 121.56 1n95 h TYR 180 Ca 0.11 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1n95 h TYR 180 Cb 0.46 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.80 1n95 h TYR 180 CO -0.36 -0.19 0.30 -0.07 -1.64 0.00 0.00 178.16 176.20 1n95 h LEU 181 N -0.23 0.36 -1.40 2.82 3.38 -0.38 0.20 115.31 120.07 1n95 h LEU 181 Ca 0.04 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1n95 h LEU 181 Cb 0.27 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1n95 h LEU 181 CO -0.11 0.21 -0.30 1.88 0.09 0.00 0.00 178.44 180.22 1n95 h TYR 182 N 0.52 0.00 0.00 1.13 0.99 -0.31 -2.67 116.97 116.63 1n95 h TYR 182 Ca 0.32 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.02 1n95 h TYR 182 Cb 0.36 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.08 1n95 h TYR 182 CO -0.13 0.30 -0.18 0.66 -0.00 0.00 0.00 178.16 178.82 1n95 h SER 183 N 0.00 0.00 0.49 3.88 4.64 0.19 -2.96 113.55 119.78 1n95 h SER 183 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1n95 h SER 183 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1n95 h SER 183 CO 0.04 0.18 -1.54 0.18 -0.87 0.00 0.00 176.83 174.82 1n95 n LEU 184 N -3.70 0.44 -4.63 5.97 4.77 -1.02 -4.98 117.00 113.85 1n95 n LEU 184 Ca -0.02 0.17 -0.48 0.00 -0.03 0.00 0.00 56.01 55.66 1n95 n LEU 184 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1n95 n LEU 184 CO 0.32 -0.05 0.98 1.17 -1.33 0.00 0.00 177.39 178.48 1n95 n LYS 185 N -2.51 1.67 -4.13 3.23 3.00 -1.07 -1.63 118.16 116.73 1n95 n LYS 185 Ca -0.04 0.60 -0.31 0.00 -0.00 0.00 0.00 58.31 58.56 1n95 n LYS 185 Cb 0.61 -2.25 -0.07 0.00 0.00 0.00 0.00 35.03 33.31 1n95 n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1n95 s GLN 186 N 0.20 2.81 0.43 1.64 -1.52 0.22 -4.93 119.66 118.52 1n95 s GLN 186 Ca 0.76 -0.68 0.15 0.00 -1.95 0.00 0.00 55.36 53.65 1n95 s GLN 186 Cb -0.78 -2.69 1.06 0.00 -0.22 0.00 0.00 33.01 30.38 1n95 s GLN 186 CO 0.46 0.58 1.94 -1.35 -0.25 0.00 0.00 175.29 176.68 1n95 h PRO 187 N 3.67 0.39 -0.03 2.91 0.11 -1.95 -0.28 132.00 136.82 1n95 h PRO 187 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n95 h PRO 187 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1n95 h PRO 187 CO 0.62 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1n95 n ASP 188 N -4.47 0.31 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.95 1n95 n ASP 188 Ca 0.13 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1n95 n ASP 188 Cb 0.48 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1n95 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n95 n GLY 189 N 0.81 2.36 3.93 6.12 0.00 -0.11 -4.52 105.19 113.79 1n95 n GLY 189 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1n95 n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n95 s SER 190 N -1.43 5.03 0.23 1.61 1.04 -1.26 -3.92 113.70 115.01 1n95 s SER 190 Ca 0.00 0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.98 1n95 s SER 190 Cb 0.00 -1.20 -0.05 0.00 0.10 0.00 0.00 66.02 64.87 1n95 s SER 190 CO 0.00 -1.43 -0.17 -0.36 0.98 0.00 0.00 173.24 172.26 1n95 s PHE 191 N -3.14 1.96 0.52 5.02 0.40 -1.26 0.73 117.98 122.21 1n95 s PHE 191 Ca 0.58 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1n95 s PHE 191 Cb -0.11 -0.88 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 1n95 s PHE 191 CO 0.44 0.51 0.79 -0.51 0.70 0.00 0.00 175.22 177.15 1n95 s LEU 192 N -3.36 3.46 0.09 -0.37 1.43 -0.64 -4.44 118.68 114.85 1n95 s LEU 192 Ca 0.25 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1n95 s LEU 192 Cb -0.03 -3.44 -0.23 0.00 0.03 0.00 0.00 46.19 42.53 1n95 s LEU 192 CO 0.10 -0.84 1.17 0.24 0.23 0.00 0.00 176.35 177.25 1n95 h MET 193 N 0.12 0.06 -3.13 1.70 2.86 -1.19 -3.46 114.93 111.88 1n95 h MET 193 Ca -0.46 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1n95 h MET 193 Cb 1.25 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.87 1n95 h MET 193 CO 0.59 0.98 0.15 -3.38 1.06 0.00 0.00 176.91 176.32 1n95 s HIS 194 N -2.68 -0.15 0.09 -0.22 0.00 -1.26 -0.01 115.29 111.06 1n95 s HIS 194 Ca -0.01 -0.25 -0.31 0.00 -3.00 0.00 0.00 55.06 51.49 1n95 s HIS 194 Cb 0.09 0.58 -0.09 0.00 -4.00 0.00 0.00 32.58 29.15 1n95 s HIS 194 CO 0.83 -1.11 1.82 0.08 -1.00 0.00 0.00 174.74 175.36 1n95 s VAL 195 N -3.91 2.77 0.00 -5.38 1.01 -1.26 0.15 120.40 113.78 1n95 s VAL 195 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1n95 s VAL 195 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1n95 s VAL 195 CO 0.03 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1n95 n GLY 196 N 4.25 0.43 4.03 4.51 0.00 -1.26 -5.01 105.19 112.14 1n95 n GLY 196 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1n95 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n95 s GLY 197 N -2.00 1.74 0.88 -0.02 0.00 0.12 -5.10 107.32 102.94 1n95 s GLY 197 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 44.72 42.51 1n95 s GLY 197 CO 0.00 -1.64 1.10 -1.83 0.00 0.00 0.00 173.10 170.74 1n95 s GLU 198 N -4.69 1.40 -0.06 2.90 1.03 -1.26 -4.53 118.70 113.49 1n95 s GLU 198 Ca 0.62 0.60 0.04 0.00 0.03 0.00 0.00 54.97 56.26 1n95 s GLU 198 Cb -0.06 -1.84 -0.00 0.00 -0.80 0.00 0.00 34.13 31.43 1n95 s GLU 198 CO 0.39 -2.08 -0.19 0.08 -1.33 0.00 0.00 175.26 172.13 1n95 s VAL 199 N -3.09 1.62 -0.00 1.83 1.01 -1.26 -0.78 120.40 119.72 1n95 s VAL 199 Ca 0.63 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1n95 s VAL 199 Cb -0.16 -1.40 0.11 0.00 0.00 0.00 0.00 36.38 34.93 1n95 s VAL 199 CO 0.55 0.46 1.12 1.51 0.00 0.00 0.00 175.10 178.74 1n95 s ASP 200 N 0.13 -0.15 0.59 3.32 1.47 -1.26 -4.87 116.67 115.89 1n95 s ASP 200 Ca -0.08 -0.16 0.29 0.00 1.18 0.00 0.00 52.55 53.79 1n95 s ASP 200 Cb -0.14 0.28 1.40 0.00 -0.34 0.00 0.00 42.92 44.13 1n95 s ASP 200 CO 0.04 -0.50 1.80 0.58 0.68 0.00 0.00 175.17 177.77 1n95 h VAL 201 N 2.00 0.31 -0.92 2.11 2.07 -1.20 -2.17 116.25 118.45 1n95 h VAL 201 Ca -0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.41 1n95 h VAL 201 Cb 1.21 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1n95 h VAL 201 CO 0.27 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.48 1n95 h ARG 202 N 0.00 0.81 -0.54 1.57 3.08 -1.92 -0.97 114.38 116.40 1n95 h ARG 202 Ca 0.30 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1n95 h ARG 202 Cb 1.57 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 1n95 h ARG 202 CO -0.00 0.53 0.22 0.66 -1.07 0.00 0.00 179.97 180.31 1n95 h SER 203 N 0.83 0.71 -0.36 7.04 4.64 -1.70 0.68 113.55 125.40 1n95 h SER 203 Ca 0.45 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 1n95 h SER 203 Cb 0.56 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1n95 h SER 203 CO -0.21 0.63 -0.06 0.00 -0.87 0.00 0.00 176.83 176.32 1n95 h ALA 204 N 1.47 0.49 -0.19 5.18 0.00 -1.35 -1.23 119.26 123.63 1n95 h ALA 204 Ca 0.19 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1n95 h ALA 204 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n95 h ALA 204 CO -0.02 0.31 -0.47 -0.92 0.00 0.00 0.00 179.25 178.16 1n95 h TYR 205 N 0.47 0.84 0.01 0.00 3.20 -1.22 -1.66 116.97 118.62 1n95 h TYR 205 Ca 0.09 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1n95 h TYR 205 Cb 0.55 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1n95 h TYR 205 CO 0.05 1.10 -0.03 0.00 -1.64 0.00 0.00 178.16 177.64 1n95 h ALA 207 N 0.93 -0.27 -0.74 0.00 0.00 -1.25 -2.39 119.26 115.54 1n95 h ALA 207 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1n95 h ALA 207 Cb 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1n95 h ALA 207 CO -0.02 -0.62 0.39 0.00 0.00 0.00 0.00 179.25 179.00 1n95 h ALA 208 N 0.46 1.04 -0.06 0.00 0.00 -1.11 -0.34 119.26 119.25 1n95 h ALA 208 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n95 h ALA 208 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n95 h ALA 208 CO 0.05 -0.00 0.02 1.03 0.00 0.00 0.00 179.25 180.34 1n95 h SER 209 N 0.66 0.09 -0.05 0.00 0.87 -0.63 -1.77 113.55 112.73 1n95 h SER 209 Ca 0.36 -0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 1n95 h SER 209 Cb 0.36 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1n95 h SER 209 CO -0.26 0.27 -0.65 -0.37 -0.53 0.00 0.00 176.83 175.29 1n95 h VAL 210 N -0.10 1.31 -0.36 2.23 -1.51 -1.28 -2.66 116.25 113.87 1n95 h VAL 210 Ca 0.02 -1.90 -0.10 0.00 -1.23 0.00 0.00 66.70 63.48 1n95 h VAL 210 Cb 0.21 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1n95 h VAL 210 CO -0.00 0.60 -0.18 0.00 -1.23 0.00 0.00 177.57 176.76 1n95 h ALA 211 N 0.78 0.51 0.10 5.19 0.00 -1.09 -2.09 119.26 122.66 1n95 h ALA 211 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1n95 h ALA 211 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1n95 h ALA 211 CO 0.13 0.45 -0.05 0.66 0.00 0.00 0.00 179.25 180.44 1n95 h SER 212 N 0.55 -0.12 -0.42 0.00 4.64 -1.39 -0.60 113.55 116.22 1n95 h SER 212 Ca 0.08 -0.30 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1n95 h SER 212 Cb 0.73 0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 1n95 h SER 212 CO 0.05 0.25 0.08 -0.07 -0.87 0.00 0.00 176.83 176.27 1n95 h LEU 213 N -0.50 -0.00 -0.49 5.97 3.38 -1.52 -1.08 115.31 121.06 1n95 h LEU 213 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n95 h LEU 213 Cb 0.41 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n95 h LEU 213 CO 0.02 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1n95 n THR 214 N -5.11 0.07 -3.36 0.22 -2.24 -0.79 -3.91 114.28 99.16 1n95 n THR 214 Ca 0.03 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1n95 n THR 214 Cb 0.20 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1n95 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n95 n ASN 215 N -0.33 -6.54 0.00 3.42 5.15 -0.41 -4.84 115.26 111.70 1n95 n ASN 215 Ca 0.17 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1n95 n ASN 215 Cb 0.20 -4.18 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 1n95 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1n95 n ILE 216 N -2.67 0.47 -2.20 -1.44 -5.35 -0.37 -4.29 119.36 103.52 1n95 n ILE 216 Ca -0.09 -0.47 -0.43 0.00 -0.27 0.00 0.00 62.75 61.49 1n95 n ILE 216 Cb 0.58 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.23 1n95 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n95 s ILE 217 N -0.47 3.70 0.89 7.28 1.01 -1.25 -4.73 121.20 127.63 1n95 s ILE 217 Ca 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 1n95 s ILE 217 Cb 0.00 -3.99 0.19 0.00 0.01 0.00 0.00 42.46 38.66 1n95 s ILE 217 CO 0.00 -0.67 1.21 0.42 0.00 0.00 0.00 174.94 175.91 1n95 s THR 218 N 6.25 2.02 0.26 2.92 -4.23 -1.26 -5.00 115.64 116.61 1n95 s THR 218 Ca 0.68 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 1n95 s THR 218 Cb -0.17 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 1n95 s THR 218 CO 0.32 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.56 1n95 h PRO 219 N -1.27 0.16 -0.31 3.99 0.13 -2.02 -3.29 132.00 129.39 1n95 h PRO 219 Ca -0.41 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1n95 h PRO 219 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n95 h PRO 219 CO 0.36 0.68 0.00 -0.40 -0.23 0.00 0.00 178.00 178.41 1n95 n ASP 220 N -3.89 2.91 0.15 1.44 3.85 -1.26 -4.68 116.55 115.06 1n95 n ASP 220 Ca -0.02 -1.87 -0.15 0.00 -0.71 0.00 0.00 54.79 52.05 1n95 n ASP 220 Cb 0.58 -0.20 -0.08 0.00 -1.35 0.00 0.00 41.12 40.08 1n95 n ASP 220 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1n95 h LEU 221 N 2.88 -1.20 -3.74 -2.12 5.85 -1.95 -2.80 115.31 112.24 1n95 h LEU 221 Ca 0.00 0.13 -0.47 0.00 0.84 0.00 0.00 57.88 58.37 1n95 h LEU 221 Cb 0.75 0.44 -0.26 0.00 0.37 0.00 0.00 40.66 41.96 1n95 h LEU 221 CO 0.00 -0.51 0.61 0.49 -0.34 0.00 0.00 178.44 178.69 1n95 n PHE 222 N -5.47 2.65 -1.65 1.25 3.01 -1.26 -4.98 117.46 111.01 1n95 n PHE 222 Ca -0.08 -1.91 -0.44 0.00 1.01 0.00 0.00 57.45 56.03 1n95 n PHE 222 Cb 0.38 -0.96 -0.04 0.00 -0.01 0.00 0.00 39.48 38.86 1n95 n PHE 222 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1n95 n GLU 223 N -0.82 2.47 -0.95 -1.08 4.07 -1.06 -1.35 120.64 121.93 1n95 n GLU 223 Ca 0.52 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 58.49 1n95 n GLU 223 Cb 1.29 -2.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 1n95 n GLU 223 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n95 n GLY 224 N 4.81 0.83 0.26 8.31 0.00 -1.26 -4.42 105.19 113.73 1n95 n GLY 224 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1n95 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n95 h THR 225 N 0.00 1.28 -0.01 2.61 2.02 -1.33 -2.69 112.91 114.78 1n95 h THR 225 Ca 0.00 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1n95 h THR 225 Cb 0.01 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1n95 h THR 225 CO 0.00 0.51 -0.29 0.00 0.37 0.00 0.00 175.52 176.11 1n95 h ALA 226 N 0.87 1.50 -0.07 6.16 0.00 -1.89 -1.82 119.26 124.02 1n95 h ALA 226 Ca 0.07 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1n95 h ALA 226 Cb 0.93 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1n95 h ALA 226 CO 0.09 0.38 -0.76 0.93 0.00 0.00 0.00 179.25 179.88 1n95 h GLU 227 N 0.01 0.40 -0.05 0.00 3.07 -1.89 -2.06 114.58 114.06 1n95 h GLU 227 Ca -0.00 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 1n95 h GLU 227 Cb 0.53 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1n95 h GLU 227 CO 0.04 0.99 -0.05 2.35 -1.40 0.00 0.00 179.01 180.93 1n95 h TRP 228 N 0.27 0.15 -0.67 4.33 7.01 -1.19 -2.78 115.95 123.06 1n95 h TRP 228 Ca -0.04 -0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.02 1n95 h TRP 228 Cb 1.34 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 1n95 h TRP 228 CO 0.05 0.58 0.44 0.82 -2.79 0.00 0.00 178.44 177.54 1n95 h ILE 229 N -0.32 0.91 0.00 2.65 2.04 -1.33 0.77 117.51 122.24 1n95 h ILE 229 Ca 0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1n95 h ILE 229 Cb 0.55 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1n95 h ILE 229 CO 0.01 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.26 1n95 h ALA 230 N 1.66 1.00 0.00 1.87 0.00 -1.24 -2.45 119.26 120.10 1n95 h ALA 230 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1n95 h ALA 230 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n95 h ALA 230 CO -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.02 1n95 h ARG 231 N 0.00 0.00 0.00 0.00 3.08 -0.57 -3.07 114.38 113.82 1n95 h ARG 231 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n95 h ARG 231 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1n95 h ARG 231 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1n95 s GLN 233 N -3.35 4.23 0.21 0.00 0.74 -1.16 -0.93 119.66 119.39 1n95 s GLN 233 Ca 0.05 1.83 0.02 0.00 0.05 0.00 0.00 55.36 57.32 1n95 s GLN 233 Cb 0.07 -3.81 0.02 0.00 1.10 0.00 0.00 33.01 30.40 1n95 s GLN 233 CO 0.61 -0.73 0.18 0.27 -0.55 0.00 0.00 175.29 175.07 1n95 n ASN 234 N 6.62 1.50 0.21 6.67 6.94 -0.51 -4.97 115.26 131.72 1n95 n ASN 234 Ca 0.15 -1.69 0.08 0.00 -0.02 0.00 0.00 54.58 53.10 1n95 n ASN 234 Cb 0.44 -0.04 0.44 0.00 -2.36 0.00 0.00 39.78 38.26 1n95 n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1n95 h TRP 235 N 0.47 0.00 0.00 -2.53 5.08 -1.95 -1.46 115.95 115.56 1n95 h TRP 235 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.84 1n95 h TRP 235 Cb 0.47 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.63 1n95 h TRP 235 CO 0.00 0.00 -0.44 0.39 -1.28 0.00 0.00 178.44 177.11 1n95 n GLU 236 N -2.27 0.20 0.00 0.12 1.02 -1.26 -4.92 120.64 113.53 1n95 n GLU 236 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1n95 n GLU 236 Cb 0.39 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1n95 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n95 n GLY 237 N 1.38 3.09 3.99 0.62 0.00 -0.55 -4.49 105.19 109.24 1n95 n GLY 237 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1n95 n GLY 237 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n95 s GLY 238 N -2.69 1.77 -0.02 -0.02 0.00 -1.26 -3.29 107.32 101.81 1n95 s GLY 238 Ca 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.05 1n95 s GLY 238 CO 0.00 -1.19 -0.08 -0.42 0.00 0.00 0.00 173.10 171.41 1n95 s ILE 239 N -3.03 3.59 0.51 0.90 1.01 -1.26 -1.42 121.20 121.50 1n95 s ILE 239 Ca 0.64 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1n95 s ILE 239 Cb -0.06 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1n95 s ILE 239 CO 0.43 0.46 0.42 -0.83 0.00 0.00 0.00 174.94 175.43 1n95 s GLY 240 N -1.20 2.25 0.27 6.18 0.00 -0.10 -0.77 107.32 113.95 1n95 s GLY 240 Ca 0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 1n95 s GLY 240 CO 0.05 -1.86 1.91 -1.33 0.00 0.00 0.00 173.10 171.87 1n95 h GLY 241 N 0.79 1.25 -3.30 0.20 0.00 -1.84 -3.44 103.07 96.73 1n95 h GLY 241 Ca -0.37 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1n95 h GLY 241 CO 0.56 0.51 -0.45 -1.34 0.00 0.00 0.00 176.54 175.82 1n95 s VAL 242 N -5.85 0.16 0.20 4.60 -7.23 -1.26 -0.72 120.40 110.29 1n95 s VAL 242 Ca -0.12 -1.29 -0.32 0.00 -1.81 0.00 0.00 61.98 58.44 1n95 s VAL 242 Cb 0.17 -1.31 -0.14 0.00 0.56 0.00 0.00 36.38 35.66 1n95 s VAL 242 CO 0.81 -0.71 1.33 -2.65 -0.31 0.00 0.00 175.10 173.57 1n95 n PRO 243 N 0.10 1.68 0.00 4.82 -0.02 -1.26 -1.89 135.00 138.42 1n95 n PRO 243 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1n95 n PRO 243 Cb 0.62 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1n95 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n95 n GLY 244 N 2.24 3.35 3.90 -1.23 0.00 -1.26 -5.00 105.19 107.18 1n95 n GLY 244 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1n95 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n95 s MET 245 N -0.87 3.56 0.40 1.61 -1.94 -0.79 -5.04 119.30 116.22 1n95 s MET 245 Ca 0.00 0.28 -0.27 0.00 -1.71 0.00 0.00 55.69 53.99 1n95 s MET 245 Cb 0.00 -2.34 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 1n95 s MET 245 CO 0.00 -0.25 1.46 -1.91 -0.01 0.00 0.00 175.02 174.31 1n95 n GLU 246 N -2.30 2.52 -1.89 2.03 2.13 -1.26 -4.19 120.64 117.68 1n95 n GLU 246 Ca 0.01 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.30 1n95 n GLU 246 Cb 0.55 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.60 1n95 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n95 s ALA 247 N -1.14 3.77 -0.01 4.31 0.00 -1.26 -4.13 121.76 123.30 1n95 s ALA 247 Ca 0.56 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.96 1n95 s ALA 247 Cb -0.47 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1n95 s ALA 247 CO 0.62 -0.83 -0.03 -1.58 0.00 0.00 0.00 175.76 173.93 1n95 s HIS 248 N 0.70 0.38 0.35 0.00 2.46 0.05 -4.66 115.29 114.57 1n95 s HIS 248 Ca 0.67 -0.06 0.03 0.00 0.47 0.00 0.00 55.06 56.16 1n95 s HIS 248 Cb -0.45 -0.30 0.64 0.00 -0.13 0.00 0.00 32.58 32.34 1n95 s HIS 248 CO 0.37 -0.04 1.99 0.78 -2.47 0.00 0.00 174.74 175.37 1n95 h GLY 249 N 6.36 0.95 2.00 1.59 0.00 -0.53 0.51 103.07 113.96 1n95 h GLY 249 Ca -0.31 -0.34 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 1n95 h GLY 249 CO 0.50 0.31 -0.58 -1.33 0.00 0.00 0.00 176.54 175.44 1n95 h GLY 250 N 0.87 0.00 1.43 4.60 0.00 -1.87 -2.38 103.07 105.72 1n95 h GLY 250 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.32 1n95 h GLY 250 CO -0.07 0.00 -1.40 -0.97 0.00 0.00 0.00 176.54 174.10 1n95 h TYR 251 N 0.00 0.21 -0.19 5.60 0.99 -1.78 -2.82 116.97 118.99 1n95 h TYR 251 Ca -0.01 -0.15 -0.11 0.00 2.00 0.00 0.00 58.73 60.46 1n95 h TYR 251 Cb 1.11 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.82 1n95 h TYR 251 CO 0.00 1.17 -0.38 1.15 -0.00 0.00 0.00 178.16 180.11 1n95 h THR 252 N 0.03 1.30 -0.35 -2.88 2.02 -0.88 0.04 112.91 112.19 1n95 h THR 252 Ca -0.18 -1.49 -0.12 0.00 0.77 0.00 0.00 66.41 65.39 1n95 h THR 252 Cb 1.94 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1n95 h THR 252 CO 0.13 0.46 -0.24 0.15 0.37 0.00 0.00 175.52 176.40 1n95 h PHE 253 N 0.35 0.91 -0.59 3.16 3.57 -1.46 -0.91 116.94 121.98 1n95 h PHE 253 Ca 0.04 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1n95 h PHE 253 Cb 0.82 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1n95 h PHE 253 CO 0.02 1.00 0.34 0.00 -2.23 0.00 0.00 178.31 177.45 1n95 h GLY 255 N 0.80 -0.67 0.65 0.00 0.00 -0.93 -1.45 103.07 101.47 1n95 h GLY 255 Ca 0.21 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1n95 h GLY 255 CO -0.04 -0.24 -0.44 -2.00 0.00 0.00 0.00 176.54 173.82 1n95 h LEU 256 N -1.00 -1.16 -1.38 3.11 5.85 -1.17 -0.59 115.31 118.97 1n95 h LEU 256 Ca -0.07 0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.92 1n95 h LEU 256 Cb 0.59 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1n95 h LEU 256 CO 0.11 -0.62 0.59 0.00 -0.34 0.00 0.00 178.44 178.17 1n95 h ALA 257 N -0.69 2.02 -0.49 1.25 0.00 -1.15 0.14 119.26 120.34 1n95 h ALA 257 Ca -0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1n95 h ALA 257 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1n95 h ALA 257 CO -0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.78 1n95 h ALA 258 N 1.61 0.80 -0.10 0.00 0.00 -0.66 -1.79 119.26 119.12 1n95 h ALA 258 Ca 0.47 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1n95 h ALA 258 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1n95 h ALA 258 CO -0.21 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.05 1n95 h LEU 259 N 0.83 0.37 -0.50 0.00 3.38 0.64 -1.91 115.31 118.12 1n95 h LEU 259 Ca 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1n95 h LEU 259 Cb 0.71 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1n95 h LEU 259 CO 0.05 0.87 0.18 0.58 0.09 0.00 0.00 178.44 180.21 1n95 h VAL 260 N 0.24 1.22 0.32 1.22 2.07 -0.60 0.52 116.25 121.24 1n95 h VAL 260 Ca -0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1n95 h VAL 260 Cb 1.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1n95 h VAL 260 CO 0.10 0.26 -0.21 0.40 0.02 0.00 0.00 177.57 178.14 1n95 h ILE 261 N 0.66 0.56 0.00 4.57 2.04 -1.15 -1.61 117.51 122.58 1n95 h ILE 261 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1n95 h ILE 261 Cb 0.23 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1n95 h ILE 261 CO -0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.32 1n95 n LEU 262 N -5.34 0.00 -3.35 1.44 4.77 -0.74 -4.85 117.00 108.94 1n95 n LEU 262 Ca -0.10 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 1n95 n LEU 262 Cb 0.24 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1n95 n LEU 262 CO 0.33 -0.10 0.18 0.29 -1.33 0.00 0.00 177.39 176.76 1n95 n LYS 263 N -1.18 -6.98 -1.13 3.23 5.02 0.30 -4.93 118.16 112.49 1n95 n LYS 263 Ca 0.07 0.78 0.04 0.00 -2.02 0.00 0.00 58.31 57.19 1n95 n LYS 263 Cb 0.08 -5.66 0.06 0.00 -0.02 0.00 0.00 35.03 29.49 1n95 n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n95 n LYS 264 N -4.41 0.37 -0.35 1.97 5.02 0.15 -4.86 118.16 116.05 1n95 n LYS 264 Ca -0.10 -2.14 0.24 0.00 -2.02 0.00 0.00 58.31 54.28 1n95 n LYS 264 Cb 0.60 -0.45 0.49 0.00 -0.02 0.00 0.00 35.03 35.65 1n95 n LYS 264 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1n95 h GLU 265 N 0.82 0.37 0.00 1.97 3.07 -1.88 0.20 114.58 119.13 1n95 h GLU 265 Ca -0.14 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1n95 h GLU 265 Cb 1.62 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1n95 h GLU 265 CO 0.06 0.24 0.00 0.54 -1.40 0.00 0.00 179.01 178.46 1n95 n ARG 266 N -4.81 0.00 0.00 2.33 1.74 -1.26 -1.45 116.66 113.20 1n95 n ARG 266 Ca 0.29 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.81 1n95 n ARG 266 Cb 0.95 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.66 1n95 n ARG 266 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n95 n SER 267 N -1.31 0.00 -4.65 0.55 7.64 0.71 -4.78 113.62 111.78 1n95 n SER 267 Ca 0.00 -0.79 -0.27 0.00 1.01 0.00 0.00 58.87 58.82 1n95 n SER 267 Cb 0.00 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1n95 n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n95 s LEU 268 N -2.02 2.95 -0.69 -3.43 1.43 -0.53 -4.81 118.68 111.58 1n95 s LEU 268 Ca 0.39 -1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.06 1n95 s LEU 268 Cb 0.18 -1.10 0.14 0.00 0.03 0.00 0.00 46.19 45.44 1n95 s LEU 268 CO 0.31 -0.46 0.77 0.21 0.23 0.00 0.00 176.35 177.40 1n95 s ASN 269 N -3.77 6.38 0.55 2.29 3.84 -1.26 -4.87 114.94 118.11 1n95 s ASN 269 Ca 0.37 -1.85 0.33 0.00 0.21 0.00 0.00 52.86 51.91 1n95 s ASN 269 Cb 0.07 -2.29 1.55 0.00 -0.55 0.00 0.00 41.25 40.03 1n95 s ASN 269 CO 0.19 -0.96 2.07 -0.07 -2.79 0.00 0.00 177.10 175.54 1n95 h LEU 270 N 9.45 0.00 0.25 3.21 3.38 -1.93 -2.26 115.31 127.41 1n95 h LEU 270 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1n95 h LEU 270 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n95 h LEU 270 CO 1.02 0.07 -0.12 0.11 0.09 0.00 0.00 178.44 179.61 1n95 h LYS 271 N 0.00 -0.32 -0.49 1.13 1.79 -1.98 -1.60 116.57 115.10 1n95 h LYS 271 Ca -0.00 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.59 1n95 h LYS 271 Cb 0.39 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 1n95 h LYS 271 CO 0.01 -0.21 0.33 0.66 -1.08 0.00 0.00 179.45 179.16 1n95 h SER 272 N -0.43 0.22 -0.56 0.86 4.64 -1.90 0.61 113.55 116.98 1n95 h SER 272 Ca -0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1n95 h SER 272 Cb 0.26 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1n95 h SER 272 CO 0.06 0.13 0.23 0.25 -0.87 0.00 0.00 176.83 176.63 1n95 h LEU 273 N 0.24 0.77 -0.60 5.97 5.85 -1.39 -0.81 115.31 125.34 1n95 h LEU 273 Ca 0.23 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1n95 h LEU 273 Cb 0.57 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1n95 h LEU 273 CO -0.04 0.72 0.38 0.25 -0.34 0.00 0.00 178.44 179.41 1n95 h LEU 274 N 0.77 0.71 -0.85 2.25 5.85 0.14 -0.63 115.31 123.55 1n95 h LEU 274 Ca 0.19 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1n95 h LEU 274 Cb 0.19 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1n95 h LEU 274 CO -0.02 0.54 0.02 -0.61 -0.34 0.00 0.00 178.44 178.03 1n95 h GLN 275 N 0.81 0.88 0.51 1.25 -0.00 -1.14 -2.15 115.11 115.28 1n95 h GLN 275 Ca 0.22 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1n95 h GLN 275 Cb -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 27.48 27.33 1n95 h GLN 275 CO -0.04 0.87 -0.25 2.35 0.00 0.00 0.00 178.83 181.76 1n95 h TRP 276 N 0.82 -0.64 -0.29 3.99 7.01 -0.68 -2.39 115.95 123.77 1n95 h TRP 276 Ca 0.16 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.19 1n95 h TRP 276 Cb 0.46 0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 1n95 h TRP 276 CO 0.03 -0.31 0.03 -0.24 -2.79 0.00 0.00 178.44 175.15 1n95 h VAL 277 N -0.94 0.82 0.00 2.65 3.04 -1.11 -1.51 116.25 119.20 1n95 h VAL 277 Ca -0.07 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1n95 h VAL 277 Cb 0.61 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1n95 h VAL 277 CO 0.12 0.02 -0.03 0.71 -1.01 0.00 0.00 177.57 177.38 1n95 h THR 278 N 0.12 0.45 0.00 3.17 1.35 -1.44 0.03 112.91 116.59 1n95 h THR 278 Ca 0.14 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1n95 h THR 278 Cb 0.17 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1n95 h THR 278 CO -0.21 0.03 0.00 0.28 -0.25 0.00 0.00 175.52 175.37 1n95 h SER 279 N 0.00 0.00 0.65 5.36 0.02 -0.73 -3.25 113.55 115.60 1n95 h SER 279 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n95 h SER 279 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1n95 h SER 279 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1n95 n ARG 280 N -2.51 0.15 -3.05 3.45 5.12 -0.00 -4.74 116.66 115.07 1n95 n ARG 280 Ca 0.04 0.08 -0.40 0.00 -1.93 0.00 0.00 57.85 55.65 1n95 n ARG 280 Cb 0.41 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.16 1n95 n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1n95 s GLN 281 N -2.82 4.44 -0.42 5.56 0.74 -1.23 -0.58 119.66 125.35 1n95 s GLN 281 Ca 0.16 0.94 -0.29 0.00 0.05 0.00 0.00 55.36 56.23 1n95 s GLN 281 Cb 0.16 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.91 1n95 s GLN 281 CO 0.40 0.26 1.25 -1.64 -0.55 0.00 0.00 175.29 175.01 1n95 s MET 282 N 0.07 3.72 0.29 1.67 -1.94 0.33 -4.92 119.30 118.52 1n95 s MET 282 Ca 0.36 0.82 0.04 0.00 -1.71 0.00 0.00 55.69 55.21 1n95 s MET 282 Cb -0.19 -3.93 0.72 0.00 2.01 0.00 0.00 34.83 33.43 1n95 s MET 282 CO 0.21 -1.37 1.73 0.07 -0.01 0.00 0.00 175.02 175.64 1n95 h ARG 283 N 9.65 0.52 0.18 2.03 0.11 -1.89 0.49 114.38 125.47 1n95 h ARG 283 Ca -0.25 -0.03 -0.35 0.00 0.10 0.00 0.00 59.98 59.45 1n95 h ARG 283 Cb 1.08 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 32.05 1n95 h ARG 283 CO 1.09 0.35 -1.77 0.35 0.10 0.00 0.00 179.97 180.09 1n95 h PHE 284 N 0.54 0.68 0.08 4.08 3.57 -1.91 -3.40 116.94 120.58 1n95 h PHE 284 Ca 0.56 -0.49 -0.29 0.00 3.53 0.00 0.00 57.97 61.28 1n95 h PHE 284 Cb 0.98 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1n95 h PHE 284 CO -0.08 1.69 -1.47 0.93 -2.23 0.00 0.00 178.31 177.15 1n95 h GLU 285 N 0.08 0.17 0.00 1.11 3.07 -1.83 -3.49 114.58 113.69 1n95 h GLU 285 Ca -0.36 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.21 1n95 h GLU 285 Cb 2.07 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.09 1n95 h GLU 285 CO 0.16 1.00 0.00 0.41 -1.40 0.00 0.00 179.01 179.18 1n95 n GLY 286 N 1.60 2.99 3.41 -3.84 0.00 0.17 -4.48 105.19 105.03 1n95 n GLY 286 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1n95 n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n95 n GLY 287 N -0.16 -0.12 3.89 -0.02 0.00 -1.26 -3.38 105.19 104.14 1n95 n GLY 287 Ca 0.00 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 1n95 n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n95 s PHE 288 N -3.01 3.27 0.14 1.61 0.40 -1.26 -0.52 117.98 118.61 1n95 s PHE 288 Ca 0.61 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 1n95 s PHE 288 Cb -0.03 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1n95 s PHE 288 CO 0.42 0.48 -0.07 1.14 0.70 0.00 0.00 175.22 177.89 1n95 s GLN 289 N -3.89 2.18 0.18 0.44 -2.07 0.25 -1.90 119.66 114.85 1n95 s GLN 289 Ca 0.33 -1.11 0.10 0.00 -1.82 0.00 0.00 55.36 52.86 1n95 s GLN 289 Cb -0.08 -2.28 -0.11 0.00 -1.09 0.00 0.00 33.01 29.45 1n95 s GLN 289 CO 0.27 0.47 1.32 0.78 -1.32 0.00 0.00 175.29 176.82 1n95 h GLY 290 N 3.19 0.00 -4.87 2.60 0.00 -1.89 -3.45 103.07 98.65 1n95 h GLY 290 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1n95 h GLY 290 CO 0.54 0.00 -0.63 0.50 0.00 0.00 0.00 176.54 176.95 1n95 s ARG 291 N -2.80 0.37 0.25 4.80 0.52 -1.26 0.21 118.95 121.04 1n95 s ARG 291 Ca 0.02 -0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 54.36 1n95 s ARG 291 Cb 0.09 0.14 -0.14 0.00 0.52 0.00 0.00 34.95 35.57 1n95 s ARG 291 CO 0.79 -0.07 1.34 0.00 0.02 0.00 0.00 175.30 177.38 1n95 n ASN 293 N 1.91 -4.50 -1.97 0.00 3.02 -1.26 -5.02 115.26 107.43 1n95 n ASN 293 Ca 0.11 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1n95 n ASN 293 Cb 0.31 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1n95 n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n95 n LYS 294 N -2.45 1.59 -3.39 3.52 4.76 -0.78 -5.00 118.16 116.42 1n95 n LYS 294 Ca -0.16 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.09 1n95 n LYS 294 Cb 0.57 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.76 1n95 n LYS 294 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n95 s LEU 295 N 0.00 3.70 0.70 -0.35 1.43 -1.26 -4.96 118.68 117.94 1n95 s LEU 295 Ca 0.00 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1n95 s LEU 295 Cb 0.00 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1n95 s LEU 295 CO 0.00 -0.57 1.12 -0.69 0.23 0.00 0.00 176.35 176.45 1n95 s VAL 296 N -2.31 3.06 -0.30 -1.59 1.01 -1.26 -4.22 120.40 114.79 1n95 s VAL 296 Ca 0.48 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.81 1n95 s VAL 296 Cb -0.08 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.47 1n95 s VAL 296 CO 0.30 -0.33 0.68 -0.62 0.00 0.00 0.00 175.10 175.13 1n95 s ASP 297 N -2.64 -1.08 0.50 3.32 -1.08 -0.80 -4.87 116.67 110.02 1n95 s ASP 297 Ca 0.67 1.51 0.33 0.00 -0.52 0.00 0.00 52.55 54.55 1n95 s ASP 297 Cb -0.21 2.14 1.46 0.00 -1.46 0.00 0.00 42.92 44.85 1n95 s ASP 297 CO 0.45 -0.21 1.76 1.23 0.52 0.00 0.00 175.17 178.92 1n95 h GLY 298 N 7.82 0.39 2.00 2.66 0.00 -1.12 -0.27 103.07 114.55 1n95 h GLY 298 Ca -0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1n95 h GLY 298 CO 0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.41 1n95 n TYR 300 N -3.47 0.00 0.24 0.00 4.02 -0.11 -2.13 117.16 115.71 1n95 n TYR 300 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1n95 n TYR 300 Cb 0.33 0.00 0.59 0.00 -0.02 0.00 0.00 39.34 40.24 1n95 n TYR 300 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1n95 h SER 301 N 0.00 0.00 0.00 7.72 0.02 -1.43 -2.16 113.55 117.70 1n95 h SER 301 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 1n95 h SER 301 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1n95 h SER 301 CO 0.00 0.18 -2.34 0.33 -1.14 0.00 0.00 176.83 173.86 1n95 n PHE 302 N -3.47 0.00 -0.38 3.45 7.35 -0.91 -3.55 117.46 119.95 1n95 n PHE 302 Ca -0.01 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1n95 n PHE 302 Cb 0.34 -0.87 0.11 0.00 0.35 0.00 0.00 39.48 39.42 1n95 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n95 h TRP 303 N -0.64 1.27 0.00 -5.13 -0.00 -1.59 0.78 115.95 110.64 1n95 h TRP 303 Ca -0.59 0.03 -0.22 0.00 -0.00 0.00 0.00 58.89 58.11 1n95 h TRP 303 Cb 1.60 -0.43 -0.03 0.00 -0.00 0.00 0.00 29.16 30.30 1n95 h TRP 303 CO -0.05 0.79 -1.20 1.96 -0.00 0.00 0.00 178.44 179.94 1n95 h GLN 304 N 1.36 0.00 -0.04 0.49 1.08 -1.61 -3.38 115.11 113.02 1n95 h GLN 304 Ca 0.37 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.51 1n95 h GLN 304 Cb -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1n95 h GLN 304 CO -0.08 0.97 -0.26 0.00 -0.95 0.00 0.00 178.83 178.50 1n95 h ALA 305 N -0.50 1.50 0.00 3.87 0.00 -1.60 -2.23 119.26 120.30 1n95 h ALA 305 Ca -0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1n95 h ALA 305 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n95 h ALA 305 CO -0.20 0.37 0.00 0.78 0.00 0.00 0.00 179.25 180.20 1n95 h GLY 306 N 0.85 0.00 2.00 0.00 0.00 -1.00 -2.75 103.07 102.16 1n95 h GLY 306 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1n95 h GLY 306 CO 0.04 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.99 1n95 h LEU 307 N 0.00 0.00 0.02 3.11 3.38 -1.57 -3.23 115.31 117.02 1n95 h LEU 307 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1n95 h LEU 307 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1n95 h LEU 307 CO 0.00 0.00 -0.43 -0.07 0.09 0.00 0.00 178.44 178.03 1n95 h LEU 308 N 0.00 0.35 -1.28 1.67 3.38 -1.66 -0.03 115.31 117.74 1n95 h LEU 308 Ca 0.00 -0.81 0.01 0.00 0.09 0.00 0.00 57.88 57.17 1n95 h LEU 308 Cb 0.64 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1n95 h LEU 308 CO 0.00 1.12 0.49 -0.65 0.09 0.00 0.00 178.44 179.48 1n95 h PRO 309 N -0.37 0.97 -0.46 1.13 0.11 -1.74 0.52 132.00 132.16 1n95 h PRO 309 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1n95 h PRO 309 Cb 1.20 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1n95 h PRO 309 CO 0.08 0.64 0.19 -0.07 -0.21 0.00 0.00 178.00 178.63 1n95 h LEU 310 N 1.00 0.62 0.00 2.35 3.38 -1.57 -1.77 115.31 119.32 1n95 h LEU 310 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n95 h LEU 310 Cb -0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1n95 h LEU 310 CO -0.06 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.27 1n95 n LEU 311 N -4.60 0.00 -0.04 1.67 4.77 -0.03 -2.00 117.00 116.77 1n95 n LEU 311 Ca 0.01 0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 56.42 1n95 n LEU 311 Cb 0.15 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1n95 n LEU 311 CO 0.37 -0.12 0.03 -0.74 -1.33 0.00 0.00 177.39 175.60 1n95 h HIS 312 N 0.00 -0.02 -0.35 -1.77 2.76 0.85 -2.78 115.15 113.84 1n95 h HIS 312 Ca 0.00 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1n95 h HIS 312 Cb 0.32 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.22 1n95 h HIS 312 CO 0.00 0.03 -0.48 0.00 -1.30 0.00 0.00 177.93 176.18 1n95 h ARG 313 N -1.01 -0.33 -0.87 5.26 3.08 -1.45 0.15 114.38 119.20 1n95 h ARG 313 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1n95 h ARG 313 Cb 0.06 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.07 1n95 h ARG 313 CO 0.00 -0.22 -0.57 0.00 -1.07 0.00 0.00 179.97 178.12 1n95 h ALA 314 N -0.23 -0.54 -0.61 0.04 0.00 -1.54 0.75 119.26 117.13 1n95 h ALA 314 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1n95 h ALA 314 Cb 0.51 1.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1n95 h ALA 314 CO -0.51 -0.96 0.23 -0.07 0.00 0.00 0.00 179.25 177.94 1n95 h LEU 315 N -0.08 0.85 -1.08 0.00 3.38 -1.04 -2.27 115.31 115.07 1n95 h LEU 315 Ca 0.16 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1n95 h LEU 315 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1n95 h LEU 315 CO -0.87 0.80 -0.31 -0.74 0.09 0.00 0.00 178.44 177.41 1n95 h HIS 316 N 0.85 0.30 -0.77 1.13 2.76 0.04 -1.69 115.15 117.75 1n95 h HIS 316 Ca 0.20 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1n95 h HIS 316 Cb 0.23 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 1n95 h HIS 316 CO 0.01 0.55 0.51 0.00 -1.30 0.00 0.00 177.93 177.70 1n95 h ALA 317 N 1.45 1.59 -0.70 5.26 0.00 0.11 0.51 119.26 127.48 1n95 h ALA 317 Ca 0.03 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1n95 h ALA 317 Cb 0.67 -0.24 -0.21 0.00 0.00 0.00 0.00 17.79 18.01 1n95 h ALA 317 CO 0.05 0.31 0.54 0.00 0.00 0.00 0.00 179.25 180.15 1n95 n GLN 318 N -4.47 2.03 -3.74 0.00 10.64 -0.82 -4.89 117.38 116.13 1n95 n GLN 318 Ca 0.11 -2.20 -0.33 0.00 -1.83 0.00 0.00 57.00 52.75 1n95 n GLN 318 Cb 0.17 -1.86 0.04 0.00 -0.86 0.00 0.00 30.24 27.72 1n95 n GLN 318 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1n95 n GLY 319 N -0.41 -1.00 3.69 2.61 0.00 0.18 -4.95 105.19 105.31 1n95 n GLY 319 Ca 0.43 0.45 -0.39 0.00 0.00 0.00 0.00 46.02 46.50 1n95 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n95 s ASP 320 N -3.42 6.76 -0.05 1.61 3.68 -0.70 -4.97 116.67 119.57 1n95 s ASP 320 Ca 0.43 0.91 -0.23 0.00 2.13 0.00 0.00 52.55 55.80 1n95 s ASP 320 Cb -0.17 -2.35 -0.29 0.00 -1.45 0.00 0.00 42.92 38.66 1n95 s ASP 320 CO 0.88 -0.16 0.92 -0.65 0.13 0.00 0.00 175.17 176.29 1n95 h PRO 321 N 7.11 0.26 0.00 4.34 0.11 -1.92 -3.37 132.00 138.53 1n95 h PRO 321 Ca -0.36 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.34 1n95 h PRO 321 Cb 1.17 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1n95 h PRO 321 CO 0.76 1.16 0.00 0.00 -0.21 0.00 0.00 178.00 179.72 1n95 n ALA 322 N -2.64 1.74 -2.10 -0.75 0.00 -1.26 -4.81 120.51 110.70 1n95 n ALA 322 Ca -0.12 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 1n95 n ALA 322 Cb 0.73 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1n95 n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n95 s LEU 323 N -1.59 4.55 0.72 0.00 1.43 -1.26 -5.04 118.68 117.48 1n95 s LEU 323 Ca 0.06 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 1n95 s LEU 323 Cb 0.03 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1n95 s LEU 323 CO 0.05 0.05 1.20 -0.55 0.23 0.00 0.00 176.35 177.32 1n95 s SER 324 N -0.50 4.31 0.00 2.29 0.15 -1.26 -4.97 113.70 113.72 1n95 s SER 324 Ca 0.43 2.33 0.11 0.00 0.70 0.00 0.00 55.95 59.51 1n95 s SER 324 Cb -0.24 -2.59 0.30 0.00 -1.71 0.00 0.00 66.02 61.78 1n95 s SER 324 CO 0.29 -2.18 1.24 0.23 1.20 0.00 0.00 173.24 174.02 1n95 n MET 325 N -2.65 2.80 0.00 5.44 0.00 -1.26 -4.67 117.12 116.79 1n95 n MET 325 Ca 0.13 -2.02 0.00 0.00 0.00 0.00 0.00 57.70 55.81 1n95 n MET 325 Cb 0.50 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.46 1n95 n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1n95 n SER 326 N 0.51 1.01 -4.20 7.83 3.41 -1.26 -4.61 113.62 116.30 1n95 n SER 326 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1n95 n SER 326 Cb 0.42 0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1n95 n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n95 s HIS 327 N -0.52 1.08 0.39 7.33 3.76 -1.26 -4.32 115.29 121.74 1n95 s HIS 327 Ca 0.00 -1.13 -0.03 0.00 -0.15 0.00 0.00 55.06 53.74 1n95 s HIS 327 Cb 0.00 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1n95 s HIS 327 CO 0.00 -0.36 0.65 -1.58 -0.85 0.00 0.00 174.74 172.60 1n95 s TRP 328 N -3.85 3.52 -0.09 1.40 0.23 -1.26 -4.72 118.94 114.17 1n95 s TRP 328 Ca 0.25 0.62 -0.06 0.00 -2.03 0.00 0.00 56.10 54.89 1n95 s TRP 328 Cb 0.07 -2.12 -0.23 0.00 0.03 0.00 0.00 33.47 31.22 1n95 s TRP 328 CO 0.04 -0.04 3.24 -1.33 0.96 0.00 0.00 176.95 179.82 1n95 n MET 329 N -1.79 1.87 -3.50 4.98 2.81 -1.26 -4.71 117.12 115.52 1n95 n MET 329 Ca -0.02 -0.96 -0.11 0.00 -1.81 0.00 0.00 57.70 54.80 1n95 n MET 329 Cb 0.55 -1.99 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 1n95 n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1n95 s PHE 330 N 1.31 -0.41 -0.76 2.03 -0.12 -1.26 -4.82 117.98 113.96 1n95 s PHE 330 Ca 0.59 0.16 -0.26 0.00 -0.05 0.00 0.00 56.93 57.38 1n95 s PHE 330 Cb 0.28 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 43.11 1n95 s PHE 330 CO -0.00 -0.79 1.69 -1.58 -0.05 0.00 0.00 175.22 174.48 1n95 s HIS 331 N -3.76 1.95 0.33 3.49 5.65 -1.26 -4.83 115.29 116.85 1n95 s HIS 331 Ca 0.02 0.35 0.02 0.00 0.25 0.00 0.00 55.06 55.69 1n95 s HIS 331 Cb 0.00 -4.29 0.56 0.00 -1.18 0.00 0.00 32.58 27.68 1n95 s HIS 331 CO -0.13 -2.09 1.92 1.96 -0.65 0.00 0.00 174.74 175.76 1n95 h GLN 332 N 12.35 0.75 0.79 2.88 4.20 -1.88 -2.71 115.11 131.49 1n95 h GLN 332 Ca -0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1n95 h GLN 332 Cb 1.08 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1n95 h GLN 332 CO 1.26 0.61 -0.38 0.37 -0.67 0.00 0.00 178.83 180.02 1n95 h GLN 333 N 0.74 -1.02 -0.96 1.46 4.15 -1.88 -2.75 115.11 114.86 1n95 h GLN 333 Ca 0.18 0.07 0.17 0.00 0.77 0.00 0.00 58.65 59.84 1n95 h GLN 333 Cb 0.13 0.23 -0.10 0.00 0.21 0.00 0.00 27.48 27.95 1n95 h GLN 333 CO -0.02 -0.68 0.55 0.00 -1.93 0.00 0.00 178.83 176.75 1n95 h ALA 334 N -1.36 1.53 -0.04 3.38 0.00 -1.87 -0.31 119.26 120.60 1n95 h ALA 334 Ca -0.11 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1n95 h ALA 334 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n95 h ALA 334 CO 0.18 -0.05 -0.34 1.25 0.00 0.00 0.00 179.25 180.29 1n95 h LEU 335 N 0.73 0.07 -0.17 0.00 5.85 -1.49 -0.85 115.31 119.45 1n95 h LEU 335 Ca 0.54 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 59.04 1n95 h LEU 335 Cb 0.80 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1n95 h LEU 335 CO -0.37 0.42 -0.93 1.56 -0.34 0.00 0.00 178.44 178.77 1n95 h GLN 336 N 0.06 0.04 0.06 1.25 4.20 -0.78 -2.54 115.11 117.41 1n95 h GLN 336 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1n95 h GLN 336 Cb 0.64 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1n95 h GLN 336 CO 0.05 0.94 -0.03 0.93 -0.67 0.00 0.00 178.83 180.05 1n95 h GLU 337 N 0.02 -0.08 -0.44 1.46 5.08 -1.01 -1.32 114.58 118.30 1n95 h GLU 337 Ca -0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1n95 h GLU 337 Cb 1.62 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.80 1n95 h GLU 337 CO 0.13 0.45 -0.45 -0.92 -1.00 0.00 0.00 179.01 177.21 1n95 h TYR 338 N -0.67 -1.33 0.46 4.33 3.20 -1.18 0.29 116.97 122.05 1n95 h TYR 338 Ca -0.01 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1n95 h TYR 338 Cb 0.57 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1n95 h TYR 338 CO 0.11 -0.45 -0.26 0.82 -1.64 0.00 0.00 178.16 176.74 1n95 h ILE 339 N -0.32 0.46 -0.27 1.81 2.04 -1.51 0.54 117.51 120.27 1n95 h ILE 339 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1n95 h ILE 339 Cb 0.58 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1n95 h ILE 339 CO -0.60 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 177.65 1n95 h LEU 340 N -0.68 0.29 0.01 1.44 3.38 -0.94 -1.79 115.31 117.03 1n95 h LEU 340 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n95 h LEU 340 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1n95 h LEU 340 CO 0.07 0.21 -0.01 0.24 0.09 0.00 0.00 178.44 179.04 1n95 h MET 341 N 0.35 -0.01 0.00 1.13 2.86 -0.43 -3.41 114.93 115.42 1n95 h MET 341 Ca 0.10 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.53 1n95 h MET 341 Cb -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1n95 h MET 341 CO -0.03 0.80 -1.77 0.00 1.06 0.00 0.00 176.91 176.96 1n95 s GLN 344 N -2.47 3.65 -0.18 0.00 0.74 -1.23 -0.77 119.66 119.40 1n95 s GLN 344 Ca 0.48 -0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.42 1n95 s GLN 344 Cb 0.36 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 1n95 s GLN 344 CO 0.16 0.47 0.36 0.00 -0.55 0.00 0.00 175.29 175.73 1n95 h PRO 346 N 7.09 0.11 0.00 0.00 0.11 -1.98 0.37 132.00 137.70 1n95 h PRO 346 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1n95 h PRO 346 Cb 1.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n95 h PRO 346 CO 0.73 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 1n95 n ALA 347 N -2.78 1.98 0.00 -0.75 0.00 -1.26 -4.94 120.51 112.75 1n95 n ALA 347 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n95 n ALA 347 Cb 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1n95 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n95 n GLY 348 N 0.21 3.05 0.00 0.00 0.00 0.13 -4.77 105.19 103.82 1n95 n GLY 348 Ca 0.09 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1n95 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n95 n GLY 349 N -0.24 -1.15 3.78 -0.02 0.00 -1.26 -4.51 105.19 101.79 1n95 n GLY 349 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 1n95 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n95 s LEU 350 N -2.59 2.89 0.26 0.99 2.01 -1.26 0.09 118.68 121.08 1n95 s LEU 350 Ca 0.00 -1.21 -0.11 0.00 0.01 0.00 0.00 54.13 52.82 1n95 s LEU 350 Cb 0.00 -1.27 -0.00 0.00 0.01 0.00 0.00 46.19 44.93 1n95 s LEU 350 CO 0.00 -0.72 0.48 -1.48 1.01 0.00 0.00 176.35 175.64 1n95 s LEU 351 N -3.98 0.42 0.06 1.79 0.05 0.05 -3.50 118.68 113.56 1n95 s LEU 351 Ca 0.34 -1.02 -0.18 0.00 0.05 0.00 0.00 54.13 53.32 1n95 s LEU 351 Cb 0.02 1.74 -0.07 0.00 -2.05 0.00 0.00 46.19 45.83 1n95 s LEU 351 CO 0.19 -1.18 1.28 -0.78 -0.55 0.00 0.00 176.35 175.31 1n95 h ASP 352 N 2.23 -0.84 -5.05 1.48 1.82 -1.88 -3.39 116.42 110.79 1n95 h ASP 352 Ca -0.27 0.09 0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1n95 h ASP 352 Cb 1.25 0.32 -0.04 0.00 0.68 0.00 0.00 39.33 41.53 1n95 h ASP 352 CO 0.36 -0.27 0.28 -1.59 -1.61 0.00 0.00 179.24 176.41 1n95 s LYS 353 N -4.39 1.80 0.22 0.28 -2.85 -1.26 -0.72 119.74 112.81 1n95 s LYS 353 Ca -0.08 -1.04 -0.32 0.00 -1.00 0.00 0.00 55.97 53.53 1n95 s LYS 353 Cb 0.03 0.58 -0.13 0.00 -2.06 0.00 0.00 37.83 36.25 1n95 s LYS 353 CO 0.31 -0.83 1.47 -0.35 0.10 0.00 0.00 175.35 176.05 1n95 n PRO 354 N -0.48 2.10 0.00 1.78 -0.04 -1.23 -2.03 135.00 135.10 1n95 n PRO 354 Ca -0.05 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1n95 n PRO 354 Cb 0.59 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1n95 n PRO 354 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n95 n GLY 355 N 2.53 3.10 3.71 0.55 0.00 -1.26 -5.05 105.19 108.77 1n95 n GLY 355 Ca 0.13 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1n95 n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n95 s LYS 356 N 0.00 1.72 0.46 1.61 -0.14 -0.86 -5.01 119.74 117.53 1n95 s LYS 356 Ca 0.00 1.68 -0.05 0.00 -1.36 0.00 0.00 55.97 56.24 1n95 s LYS 356 Cb 0.00 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.32 1n95 s LYS 356 CO 0.00 -2.13 0.76 -1.12 -0.76 0.00 0.00 175.35 172.10 1n95 s SER 357 N -2.30 6.27 0.29 2.83 0.01 -1.26 -4.85 113.70 114.69 1n95 s SER 357 Ca 0.71 0.88 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 1n95 s SER 357 Cb -0.27 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 1n95 s SER 357 CO 0.50 -0.54 0.73 0.00 0.41 0.00 0.00 173.24 174.34 1n95 s ARG 358 N -4.67 4.08 0.19 12.44 1.70 -1.26 -4.52 118.95 126.90 1n95 s ARG 358 Ca 0.47 0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 56.23 1n95 s ARG 358 Cb -0.10 -2.59 0.06 0.00 -0.57 0.00 0.00 34.95 31.75 1n95 s ARG 358 CO 0.44 0.24 0.64 0.16 -1.08 0.00 0.00 175.30 175.69 1n95 s ASP 359 N -2.06 -0.49 0.55 -2.89 1.47 -1.23 -5.03 116.67 106.98 1n95 s ASP 359 Ca 0.50 -0.16 0.32 0.00 1.18 0.00 0.00 52.55 54.40 1n95 s ASP 359 Cb -0.12 0.63 1.51 0.00 -0.34 0.00 0.00 42.92 44.60 1n95 s ASP 359 CO 0.19 -1.06 2.05 -0.26 0.68 0.00 0.00 175.17 176.77 1n95 h PHE 360 N 2.00 0.00 -0.05 2.11 -1.00 -1.98 -1.57 116.94 116.45 1n95 h PHE 360 Ca -0.30 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.45 1n95 h PHE 360 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 1n95 h PHE 360 CO 0.28 0.07 -0.11 -0.92 -1.61 0.00 0.00 178.31 176.03 1n95 h TYR 361 N 0.00 0.20 0.00 -0.55 3.20 -1.94 0.09 116.97 117.97 1n95 h TYR 361 Ca -0.00 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 1n95 h TYR 361 Cb 0.41 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1n95 h TYR 361 CO 0.00 0.71 -0.59 0.45 -1.64 0.00 0.00 178.16 177.09 1n95 h HIS 362 N -0.37 0.00 0.13 -3.82 3.86 -1.82 -0.96 115.15 112.16 1n95 h HIS 362 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1n95 h HIS 362 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1n95 h HIS 362 CO 0.12 0.59 -0.06 1.15 0.86 0.00 0.00 177.93 180.59 1n95 h THR 363 N 0.00 1.01 -0.35 2.45 2.02 -1.24 0.23 112.91 117.03 1n95 h THR 363 Ca -0.01 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1n95 h THR 363 Cb 1.08 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1n95 h THR 363 CO 0.08 0.14 0.15 0.00 0.37 0.00 0.00 175.52 176.25 1n95 n TYR 365 N -4.41 0.88 -0.06 0.00 4.02 -0.38 -2.23 117.16 114.98 1n95 n TYR 365 Ca 0.02 0.30 -0.15 0.00 -0.01 0.00 0.00 57.90 58.05 1n95 n TYR 365 Cb 0.13 -1.07 -0.06 0.00 -0.02 0.00 0.00 39.34 38.32 1n95 n TYR 365 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n95 h LEU 367 N 0.47 0.21 -1.35 0.00 3.38 -1.61 -0.59 115.31 115.82 1n95 h LEU 367 Ca -0.00 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1n95 h LEU 367 Cb 1.14 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1n95 h LEU 367 CO 0.11 0.46 0.52 0.28 0.09 0.00 0.00 178.44 179.90 1n95 h SER 368 N -0.05 0.65 0.45 -0.43 0.02 -1.43 -1.16 113.55 111.60 1n95 h SER 368 Ca 0.04 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1n95 h SER 368 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1n95 h SER 368 CO 0.01 0.39 -0.74 1.23 -1.14 0.00 0.00 176.83 176.58 1n95 h GLY 369 N 0.72 0.26 0.84 -3.77 0.00 -1.03 -1.86 103.07 98.23 1n95 h GLY 369 Ca 0.36 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1n95 h GLY 369 CO -0.14 0.34 0.03 -2.00 0.00 0.00 0.00 176.54 174.77 1n95 h LEU 370 N 0.15 0.13 -1.32 3.11 5.85 -0.03 -0.70 115.31 122.50 1n95 h LEU 370 Ca -0.03 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1n95 h LEU 370 Cb 1.30 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1n95 h LEU 370 CO 0.11 0.28 0.46 -1.28 -0.34 0.00 0.00 178.44 177.68 1n95 h SER 371 N -0.04 0.79 -0.02 1.25 0.87 -1.23 0.97 113.55 116.14 1n95 h SER 371 Ca 0.03 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1n95 h SER 371 Cb 0.20 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1n95 h SER 371 CO -0.00 0.57 0.00 0.40 -0.53 0.00 0.00 176.83 177.27 1n95 h ILE 372 N 0.93 1.19 -0.01 2.23 1.08 -0.93 -2.38 117.51 119.62 1n95 h ILE 372 Ca 0.26 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1n95 h ILE 372 Cb -0.09 1.55 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1n95 h ILE 372 CO -0.06 0.15 0.01 0.00 -0.69 0.00 0.00 178.15 177.57 1n95 h ALA 373 N 0.77 2.01 0.00 1.87 0.00 -0.23 -2.74 119.26 120.94 1n95 h ALA 373 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n95 h ALA 373 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n95 h ALA 373 CO 0.00 -0.02 -0.66 1.96 0.00 0.00 0.00 179.25 180.54 1n95 h GLN 374 N 0.00 0.00 -4.65 0.00 4.20 -0.70 -3.41 115.11 110.54 1n95 h GLN 374 Ca 0.01 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.13 1n95 h GLN 374 Cb 0.03 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.45 1n95 h GLN 374 CO -0.00 0.03 -0.83 -1.01 -0.67 0.00 0.00 178.83 176.35 1n95 s HIS 375 N -3.27 2.05 0.26 2.96 3.76 -0.91 0.65 115.29 120.79 1n95 s HIS 375 Ca 0.02 -1.09 0.09 0.00 -0.15 0.00 0.00 55.06 53.93 1n95 s HIS 375 Cb 0.08 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 1n95 s HIS 375 CO 0.75 -0.60 0.05 0.12 -0.85 0.00 0.00 174.74 174.21 1n95 s PHE 376 N 1.35 2.79 0.17 1.40 5.36 -1.24 -4.82 117.98 122.98 1n95 s PHE 376 Ca 0.01 -0.20 -0.20 0.00 -0.96 0.00 0.00 56.93 55.59 1n95 s PHE 376 Cb -0.13 -1.25 0.05 0.00 -0.34 0.00 0.00 43.02 41.34 1n95 s PHE 376 CO -0.08 0.59 0.54 0.20 -1.46 0.00 0.00 175.22 175.01 1n95 s GLY 377 N -3.72 -0.39 -0.23 13.12 0.00 -1.26 -3.80 107.32 111.04 1n95 s GLY 377 Ca 0.32 0.15 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1n95 s GLY 377 CO 0.21 -0.07 0.94 -1.26 0.00 0.00 0.00 173.10 172.93 1n95 n SER 378 N -0.34 -0.87 0.00 1.64 2.88 -1.24 -4.94 113.62 110.76 1n95 n SER 378 Ca -0.14 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 1n95 n SER 378 Cb 0.64 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.81 1n95 n SER 378 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n95 n GLY 379 N -0.44 2.20 0.20 0.46 0.00 -1.26 -4.23 105.19 102.11 1n95 n GLY 379 Ca -0.19 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.16 1n95 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n95 n ALA 380 N 0.05 1.58 -2.26 4.61 0.00 -1.26 -5.07 120.51 118.17 1n95 n ALA 380 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 53.44 52.20 1n95 n ALA 380 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 1n95 n ALA 380 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n95 s MET 381 N -0.34 3.87 -0.45 0.00 1.00 -1.26 -5.05 119.30 117.06 1n95 s MET 381 Ca 0.03 0.46 0.07 0.00 0.00 0.00 0.00 55.69 56.25 1n95 s MET 381 Cb 0.02 -2.50 0.27 0.00 0.00 0.00 0.00 34.83 32.63 1n95 s MET 381 CO 0.00 0.16 0.86 -0.11 0.00 0.00 0.00 175.02 175.94 1n95 n LEU 382 N -0.55 -1.80 -4.44 -0.03 -0.00 -1.26 -3.60 117.00 105.32 1n95 n LEU 382 Ca 0.02 -3.85 -0.44 0.00 -0.00 0.00 0.00 56.01 51.74 1n95 n LEU 382 Cb 0.53 0.81 -0.00 0.00 -0.00 0.00 0.00 43.42 44.76 1n95 n LEU 382 CO 0.44 2.06 1.20 -2.28 -0.00 0.00 0.00 177.39 178.82 1n95 s HIS 383 N -0.09 3.58 0.51 1.96 5.65 -1.25 -4.90 115.29 120.76 1n95 s HIS 383 Ca 0.31 -2.11 -0.20 0.00 0.25 0.00 0.00 55.06 53.31 1n95 s HIS 383 Cb 0.25 -4.22 -0.07 0.00 -1.18 0.00 0.00 32.58 27.36 1n95 s HIS 383 CO -0.16 -1.32 1.11 -0.51 -0.65 0.00 0.00 174.74 173.21 1n95 s ASP 384 N 2.69 5.97 -0.27 9.88 -0.00 -1.26 -3.69 116.67 129.98 1n95 s ASP 384 Ca 0.38 2.13 -0.01 0.00 -0.00 0.00 0.00 52.55 55.05 1n95 s ASP 384 Cb -0.05 -2.58 0.09 0.00 -0.00 0.00 0.00 42.92 40.38 1n95 s ASP 384 CO -0.03 -1.05 0.08 -0.69 -0.00 0.00 0.00 175.17 173.48 1n95 s VAL 385 N -1.79 0.74 -0.28 -1.27 1.01 0.21 -4.97 120.40 114.05 1n95 s VAL 385 Ca 0.70 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1n95 s VAL 385 Cb -0.23 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1n95 s VAL 385 CO 0.26 -0.53 0.07 -0.69 0.00 0.00 0.00 175.10 174.21 1n95 s VAL 386 N 1.71 3.94 0.17 2.92 1.01 -1.26 -4.12 120.40 124.77 1n95 s VAL 386 Ca 0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1n95 s VAL 386 Cb -0.17 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1n95 s VAL 386 CO -0.21 0.13 1.05 -0.32 0.00 0.00 0.00 175.10 175.76 1n95 s MET 387 N 1.51 4.65 2.92 2.72 1.75 -1.26 -4.85 119.30 126.73 1n95 s MET 387 Ca 0.03 1.63 0.00 0.00 -1.25 0.00 0.00 55.69 56.10 1n95 s MET 387 Cb -0.17 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.20 1n95 s MET 387 CO 0.02 0.15 0.00 0.41 -0.65 0.00 0.00 175.02 174.95 1n95 n GLY 388 N 2.02 0.30 3.72 2.11 0.00 -1.26 -4.75 105.19 107.33 1n95 n GLY 388 Ca 0.02 -0.93 -0.66 0.00 0.00 0.00 0.00 46.02 44.45 1n95 n GLY 388 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n95 n VAL 389 N 0.00 0.02 0.08 1.61 0.31 -0.94 -4.72 118.33 114.69 1n95 n VAL 389 Ca 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.33 1n95 n VAL 389 Cb 0.00 -0.49 0.04 0.00 -0.91 0.00 0.00 33.84 32.48 1n95 n VAL 389 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1n95 n PRO 390 N 3.78 0.03 0.00 5.55 -0.04 -1.26 0.65 135.00 143.71 1n95 n PRO 390 Ca 0.29 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1n95 n PRO 390 Cb -0.03 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.53 1n95 n PRO 390 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n95 n GLU 391 N -1.15 0.76 0.09 0.54 4.71 -1.26 -3.35 120.64 120.97 1n95 n GLU 391 Ca 0.01 -0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.00 1n95 n GLU 391 Cb 0.01 -1.49 0.45 0.00 -1.01 0.00 0.00 31.44 29.40 1n95 n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n95 n ASN 392 N -0.87 0.61 -4.74 1.62 5.03 0.21 -4.86 115.26 112.26 1n95 n ASN 392 Ca 0.15 0.57 -0.41 0.00 0.87 0.00 0.00 54.58 55.76 1n95 n ASN 392 Cb 0.28 -0.73 -0.03 0.00 -1.02 0.00 0.00 39.78 38.28 1n95 n ASN 392 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1n95 s VAL 393 N -3.11 2.95 0.25 2.41 0.11 -1.21 -4.95 120.40 116.86 1n95 s VAL 393 Ca 0.10 0.79 0.07 0.00 -2.93 0.00 0.00 61.98 60.01 1n95 s VAL 393 Cb 0.13 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1n95 s VAL 393 CO 0.54 0.12 0.21 -0.76 -3.33 0.00 0.00 175.10 171.88 1n95 s LEU 394 N -0.25 3.82 0.84 2.54 1.43 -1.26 -5.02 118.68 120.78 1n95 s LEU 394 Ca 0.58 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1n95 s LEU 394 Cb -0.39 -2.36 0.10 0.00 0.03 0.00 0.00 46.19 43.57 1n95 s LEU 394 CO 0.41 -0.05 1.13 -1.10 0.23 0.00 0.00 176.35 176.97 1n95 s GLN 395 N -3.85 1.63 0.64 1.70 -1.52 -0.67 -4.97 119.66 112.62 1n95 s GLN 395 Ca 0.33 1.42 -0.11 0.00 -1.95 0.00 0.00 55.36 55.05 1n95 s GLN 395 Cb -0.08 -1.81 -0.03 0.00 -0.22 0.00 0.00 33.01 30.88 1n95 s GLN 395 CO 0.25 -2.15 1.04 -2.14 -0.25 0.00 0.00 175.29 172.04 1n95 s PRO 396 N -4.66 3.40 0.00 2.91 0.02 -1.26 -4.87 135.00 130.54 1n95 s PRO 396 Ca 0.65 0.85 0.02 0.00 0.02 0.00 0.00 61.00 62.54 1n95 s PRO 396 Cb -0.21 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 1n95 s PRO 396 CO 0.56 -0.73 -0.06 -0.08 -0.33 0.00 0.00 177.00 176.35 1n95 s THR 397 N -3.07 0.48 -0.17 0.99 -1.32 -1.26 -4.19 115.64 107.10 1n95 s THR 397 Ca 0.57 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 60.35 1n95 s THR 397 Cb -0.12 -0.44 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1n95 s THR 397 CO 0.52 0.04 1.23 -2.28 -2.21 0.00 0.00 174.62 171.92 1n95 s HIS 398 N -0.37 2.92 -2.00 9.09 2.46 0.19 -4.74 115.29 122.84 1n95 s HIS 398 Ca 0.00 1.07 0.03 0.00 0.47 0.00 0.00 55.06 56.63 1n95 s HIS 398 Cb -0.04 -3.47 0.16 0.00 -0.13 0.00 0.00 32.58 29.10 1n95 s HIS 398 CO -0.00 -1.55 0.54 -0.35 -2.47 0.00 0.00 174.74 170.92 1n95 n PRO 399 N 6.49 0.12 -0.05 2.88 -0.04 -1.26 0.17 135.00 143.31 1n95 n PRO 399 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1n95 n PRO 399 Cb 0.45 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1n95 n PRO 399 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n95 n VAL 400 N -0.86 0.52 0.04 0.52 0.31 -1.26 -4.77 118.33 112.84 1n95 n VAL 400 Ca 0.02 -0.14 0.05 0.00 -0.01 0.00 0.00 64.34 64.25 1n95 n VAL 400 Cb 0.01 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 1n95 n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n95 n TYR 401 N -3.32 0.79 -3.39 3.52 4.02 -1.17 -4.98 117.16 112.62 1n95 n TYR 401 Ca -0.18 0.25 -0.19 0.00 -0.01 0.00 0.00 57.90 57.77 1n95 n TYR 401 Cb 0.64 -0.96 0.08 0.00 -0.02 0.00 0.00 39.34 39.07 1n95 n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1n95 n ASN 402 N -2.72 -4.02 -4.03 7.72 5.15 0.13 -5.00 115.26 112.48 1n95 n ASN 402 Ca -0.07 -0.52 -0.08 0.00 -0.60 0.00 0.00 54.58 53.31 1n95 n ASN 402 Cb 0.72 -4.64 -0.10 0.00 -0.53 0.00 0.00 39.78 35.24 1n95 n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1n95 s ILE 403 N -3.31 0.18 0.02 -1.44 -4.36 -1.26 -4.86 121.20 106.17 1n95 s ILE 403 Ca 0.27 -1.49 -0.38 0.00 -0.26 0.00 0.00 60.65 58.79 1n95 s ILE 403 Cb -0.12 -1.16 -0.17 0.00 1.25 0.00 0.00 42.46 42.26 1n95 s ILE 403 CO 0.66 -0.82 1.38 0.61 0.24 0.00 0.00 174.94 177.00 1n95 n GLY 404 N 0.50 0.45 0.41 6.27 0.00 -1.26 -0.64 105.19 110.93 1n95 n GLY 404 Ca -0.17 0.75 0.21 0.00 0.00 0.00 0.00 46.02 46.81 1n95 n GLY 404 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n95 h PRO 405 N 4.80 0.00 0.07 1.61 0.13 -1.85 0.16 132.00 136.92 1n95 h PRO 405 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1n95 h PRO 405 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1n95 h PRO 405 CO 0.79 0.00 -1.12 0.38 -0.23 0.00 0.00 178.00 177.83 1n95 h ASP 406 N 0.00 0.61 -0.10 1.44 2.03 -1.92 -2.41 116.42 116.06 1n95 h ASP 406 Ca 0.23 -0.55 -0.14 0.00 -0.73 0.00 0.00 57.03 55.83 1n95 h ASP 406 Cb 1.43 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1n95 h ASP 406 CO -0.00 1.38 -0.43 0.11 -1.03 0.00 0.00 179.24 179.27 1n95 h LYS 407 N 0.20 0.64 0.56 4.15 1.79 -1.04 0.80 116.57 123.68 1n95 h LYS 407 Ca -0.13 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 57.97 1n95 h LYS 407 Cb 1.79 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 32.46 1n95 h LYS 407 CO 0.20 0.95 -0.27 0.28 -1.08 0.00 0.00 179.45 179.53 1n95 h VAL 408 N 0.52 0.00 -0.82 0.50 2.07 -1.41 0.25 116.25 117.37 1n95 h VAL 408 Ca 0.04 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1n95 h VAL 408 Cb 0.96 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 1n95 h VAL 408 CO 0.09 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.41 1n95 h ILE 409 N -0.79 0.58 -0.57 4.57 2.04 -1.40 -1.17 117.51 120.78 1n95 h ILE 409 Ca -0.08 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1n95 h ILE 409 Cb 0.58 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1n95 h ILE 409 CO 0.13 0.08 0.13 -0.61 0.00 0.00 0.00 178.15 177.87 1n95 h GLN 410 N 0.43 0.91 0.33 2.37 4.15 -0.73 -3.01 115.11 119.56 1n95 h GLN 410 Ca 0.47 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1n95 h GLN 410 Cb 0.79 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1n95 h GLN 410 CO -0.46 0.86 -0.16 0.00 -1.93 0.00 0.00 178.83 177.14 1n95 h ALA 411 N 1.02 -0.45 -0.52 3.38 0.00 0.09 -2.70 119.26 120.08 1n95 h ALA 411 Ca 0.18 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1n95 h ALA 411 Cb 0.36 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1n95 h ALA 411 CO 0.00 -0.52 -0.05 1.79 0.00 0.00 0.00 179.25 180.48 1n95 h THR 412 N -0.91 0.55 -0.53 0.00 1.35 -1.34 -0.81 112.91 111.22 1n95 h THR 412 Ca -0.05 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.75 1n95 h THR 412 Cb 0.52 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 1n95 h THR 412 CO 0.08 0.01 0.15 0.71 -0.25 0.00 0.00 175.52 176.22 1n95 h THR 413 N 0.07 1.22 -0.53 6.82 1.35 -1.62 0.27 112.91 120.49 1n95 h THR 413 Ca 0.26 -0.75 -0.09 0.00 -0.55 0.00 0.00 66.41 65.28 1n95 h THR 413 Cb 0.40 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 1n95 h THR 413 CO -0.47 0.28 -0.04 -0.74 -0.25 0.00 0.00 175.52 174.29 1n95 h HIS 414 N 0.78 1.02 0.00 4.73 6.17 -0.84 -2.33 115.15 124.67 1n95 h HIS 414 Ca 0.18 -0.18 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1n95 h HIS 414 Cb 0.25 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1n95 h HIS 414 CO 0.01 0.94 -0.21 0.74 0.71 0.00 0.00 177.93 180.12 1n95 h PHE 415 N 0.85 0.00 0.00 5.26 -1.00 -0.99 -3.16 116.94 117.90 1n95 h PHE 415 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1n95 h PHE 415 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1n95 h PHE 415 CO 0.03 0.00 0.00 1.25 -1.61 0.00 0.00 178.31 177.98 1n95 h LEU 416 N 0.00 0.00 -2.43 1.54 5.85 0.10 -1.84 115.31 118.53 1n95 h LEU 416 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n95 h LEU 416 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1n95 h LEU 416 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1n95 n GLN 417 N -2.97 3.19 -4.60 1.25 10.64 -1.16 -4.79 117.38 118.93 1n95 n GLN 417 Ca 0.00 -1.84 -0.28 0.00 -1.83 0.00 0.00 57.00 53.05 1n95 n GLN 417 Cb 0.26 -1.90 -0.14 0.00 -0.86 0.00 0.00 30.24 27.60 1n95 n GLN 417 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1n95 s LYS 418 N -1.98 1.50 0.32 2.61 3.01 -0.69 -5.12 119.74 119.38 1n95 s LYS 418 Ca 0.32 -1.17 -0.24 0.00 -1.01 0.00 0.00 55.97 53.88 1n95 s LYS 418 Cb 0.24 -1.79 -0.10 0.00 -1.01 0.00 0.00 37.83 35.17 1n95 s LYS 418 CO 0.10 0.44 0.89 -1.25 0.51 0.00 0.00 175.35 176.05 1n95 s PRO 419 N -1.59 4.44 0.23 -1.68 0.04 -1.26 -4.98 135.00 130.20 1n95 s PRO 419 Ca 0.11 1.17 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 1n95 s PRO 419 Cb -0.10 -2.72 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 1n95 s PRO 419 CO 0.04 0.26 1.67 0.28 0.04 0.00 0.00 177.00 179.29 1n95 n VAL 420 N 0.40 0.30 -1.49 -0.36 0.31 -1.26 -4.72 118.33 111.51 1n95 n VAL 420 Ca 0.02 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1n95 n VAL 420 Cb 0.51 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.40 1n95 n VAL 420 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n95 n PRO 421 N 3.39 0.15 -2.76 5.55 -0.02 -1.26 -4.88 135.00 135.18 1n95 n PRO 421 Ca 0.14 -1.26 -0.40 0.00 -2.02 0.00 0.00 63.50 59.96 1n95 n PRO 421 Cb 0.35 -3.38 -0.06 0.00 -0.02 0.00 0.00 33.50 30.39 1n95 n PRO 421 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1n95 s GLY 422 N 7.43 3.09 0.00 -1.23 0.00 -1.26 -5.02 107.32 110.32 1n95 s GLY 422 Ca 0.74 0.60 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1n95 s GLY 422 CO 0.16 1.24 0.00 1.97 0.00 0.00 0.00 173.10 176.46