#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee2 s SER 2 N 0.00 -0.24 0.26 1.61 1.04 -1.26 -5.18 113.70 109.93 2ee2 s SER 2 Ca 0.00 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.09 2ee2 s SER 2 Cb 0.00 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 2ee2 s SER 2 CO 0.00 -0.95 -0.08 -0.55 0.98 0.00 0.00 173.24 172.64 2ee2 s SER 3 N -2.84 2.74 0.00 7.02 0.15 -1.26 -5.05 113.70 114.46 2ee2 s SER 3 Ca 0.07 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2ee2 s SER 3 Cb 0.01 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2ee2 s SER 3 CO -0.07 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2ee2 n GLY 4 N -0.54 -0.14 3.52 9.45 0.00 -1.26 -4.95 105.19 111.26 2ee2 n GLY 4 Ca -0.06 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2ee2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ee2 s SER 5 N 0.00 6.85 0.13 1.61 1.04 -1.26 -4.95 113.70 117.11 2ee2 s SER 5 Ca 0.00 -2.45 0.06 0.00 0.48 0.00 0.00 55.95 54.04 2ee2 s SER 5 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 2ee2 s SER 5 CO 0.00 -1.05 -0.14 -0.55 0.98 0.00 0.00 173.24 172.49 2ee2 s SER 6 N 3.74 2.02 -0.58 7.02 0.15 -1.26 -5.11 113.70 119.67 2ee2 s SER 6 Ca 0.46 -0.84 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 2ee2 s SER 6 Cb -0.00 -0.07 0.15 0.00 -1.71 0.00 0.00 66.02 64.39 2ee2 s SER 6 CO 0.00 -0.16 0.41 -0.83 1.20 0.00 0.00 173.24 173.85 2ee2 s GLY 7 N -2.57 2.37 -0.25 9.45 0.00 -1.26 -5.04 107.32 110.01 2ee2 s GLY 7 Ca 0.10 -3.05 0.03 0.00 0.00 0.00 0.00 44.72 41.80 2ee2 s GLY 7 CO 0.03 1.10 -0.11 0.14 0.00 0.00 0.00 173.10 174.26 2ee2 s VAL 8 N 0.33 2.09 -0.29 1.40 1.01 -1.26 -5.08 120.40 118.61 2ee2 s VAL 8 Ca 0.14 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.41 2ee2 s VAL 8 Cb -0.21 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.07 2ee2 s VAL 8 CO -0.04 -0.02 0.70 0.00 0.00 0.00 0.00 175.10 175.75 2ee2 s ALA 9 N 1.14 -1.97 -0.19 5.51 0.00 -1.26 -5.15 121.76 119.84 2ee2 s ALA 9 Ca -0.08 2.38 -0.09 0.00 0.00 0.00 0.00 51.96 54.18 2ee2 s ALA 9 Cb -0.20 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2ee2 s ALA 9 CO -0.05 -0.55 0.11 0.54 0.00 0.00 0.00 175.76 175.80 2ee2 s VAL 10 N 2.01 5.19 -0.59 0.00 0.11 -1.26 -4.96 120.40 120.90 2ee2 s VAL 10 Ca -0.09 0.11 0.17 0.00 -2.93 0.00 0.00 61.98 59.24 2ee2 s VAL 10 Cb -0.07 -3.35 0.16 0.00 -1.53 0.00 0.00 36.38 31.59 2ee2 s VAL 10 CO -0.19 0.46 1.51 2.30 -3.33 0.00 0.00 175.10 175.84 2ee2 n ILE 11 N 3.43 1.17 -1.70 7.04 -0.00 -1.26 -4.69 119.36 123.35 2ee2 n ILE 11 Ca -0.16 0.45 -0.42 0.00 -0.00 0.00 0.00 62.75 62.62 2ee2 n ILE 11 Cb 0.52 -1.39 -0.03 0.00 -0.00 0.00 0.00 39.64 38.74 2ee2 n ILE 11 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2ee2 s ASN 12 N -3.70 6.21 0.37 7.28 2.47 -1.26 -4.98 114.94 121.32 2ee2 s ASN 12 Ca 0.02 2.39 0.08 0.00 0.42 0.00 0.00 52.86 55.77 2ee2 s ASN 12 Cb 0.06 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 2ee2 s ASN 12 CO 0.23 -1.29 0.26 -0.55 -3.72 0.00 0.00 177.10 172.03 2ee2 s SER 13 N 5.33 4.94 0.30 -4.21 0.15 -1.26 -5.13 113.70 113.82 2ee2 s SER 13 Ca 0.90 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 2ee2 s SER 13 Cb -0.39 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2ee2 s SER 13 CO 0.39 -0.44 0.51 0.00 1.20 0.00 0.00 173.24 174.90 2ee2 s ALA 14 N -2.42 3.71 -0.22 5.45 0.00 -1.26 -5.04 121.76 121.98 2ee2 s ALA 14 Ca 0.42 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 2ee2 s ALA 14 Cb -0.03 -2.11 -0.18 0.00 0.00 0.00 0.00 23.12 20.80 2ee2 s ALA 14 CO 0.25 0.12 0.06 0.00 0.00 0.00 0.00 175.76 176.20 2ee2 n GLN 15 N -1.39 0.60 -3.70 0.00 10.64 -1.26 -5.02 117.38 117.24 2ee2 n GLN 15 Ca -0.04 0.44 -0.14 0.00 -1.83 0.00 0.00 57.00 55.42 2ee2 n GLN 15 Cb 0.55 -1.66 -0.08 0.00 -0.86 0.00 0.00 30.24 28.19 2ee2 n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2ee2 s ASP 16 N -7.03 -0.30 -0.03 2.61 1.01 -1.26 -5.11 116.67 106.55 2ee2 s ASP 16 Ca -0.31 0.24 -0.06 0.00 0.71 0.00 0.00 52.55 53.13 2ee2 s ASP 16 Cb 0.09 0.37 0.01 0.00 1.01 0.00 0.00 42.92 44.40 2ee2 s ASP 16 CO 0.59 -0.48 0.15 0.00 0.21 0.00 0.00 175.17 175.63 2ee2 s ALA 17 N -1.28 -0.36 0.35 5.23 0.00 -1.26 -2.79 121.76 121.64 2ee2 s ALA 17 Ca -0.13 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 2ee2 s ALA 17 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2ee2 s ALA 17 CO 0.06 -0.13 1.21 -1.25 0.00 0.00 0.00 175.76 175.65 2ee2 s PRO 18 N -0.53 4.28 0.00 0.00 0.04 -1.26 -4.94 135.00 132.59 2ee2 s PRO 18 Ca -0.06 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ee2 s PRO 18 Cb -0.04 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2ee2 s PRO 18 CO 0.01 -0.17 0.00 0.43 0.04 0.00 0.00 177.00 177.31 2ee2 n SER 19 N 0.57 3.26 -4.85 6.66 7.64 -1.26 -4.61 113.62 121.03 2ee2 n SER 19 Ca 0.02 -0.11 -0.33 0.00 1.01 0.00 0.00 58.87 59.46 2ee2 n SER 19 Cb 0.44 0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 64.45 2ee2 n SER 19 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ee2 s GLU 20 N -1.52 3.26 0.08 1.43 2.56 -1.26 -4.97 118.70 118.28 2ee2 s GLU 20 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 54.97 54.59 2ee2 s GLU 20 Cb 0.00 -2.97 -0.04 0.00 2.00 0.00 0.00 34.13 33.12 2ee2 s GLU 20 CO 0.00 0.65 -0.04 0.00 -0.56 0.00 0.00 175.26 175.30 2ee2 s ALA 21 N -1.31 3.14 -0.69 6.30 0.00 -1.26 -4.90 121.76 123.04 2ee2 s ALA 21 Ca 0.27 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 2ee2 s ALA 21 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2ee2 s ALA 21 CO 0.19 0.67 1.89 -1.25 0.00 0.00 0.00 175.76 177.25 2ee2 s PRO 22 N -2.13 2.60 0.78 0.00 0.04 -1.26 -4.95 135.00 130.07 2ee2 s PRO 22 Ca 0.23 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.57 2ee2 s PRO 22 Cb -0.11 -4.56 0.11 0.00 0.04 0.00 0.00 34.50 29.98 2ee2 s PRO 22 CO 0.15 -2.90 1.09 0.99 0.04 0.00 0.00 177.00 176.37 2ee2 s THR 23 N 9.35 2.17 -1.49 1.26 2.01 -1.26 -4.32 115.64 123.36 2ee2 s THR 23 Ca 0.68 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 2ee2 s THR 23 Cb -0.11 -2.88 0.02 0.00 0.01 0.00 0.00 72.50 69.53 2ee2 s THR 23 CO 0.15 0.00 0.78 -0.62 -0.69 0.00 0.00 174.62 174.24 2ee2 n GLU 24 N -3.12 -5.67 -3.46 4.92 1.02 -1.26 -3.62 120.64 109.45 2ee2 n GLU 24 Ca 0.12 0.84 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 2ee2 n GLU 24 Cb 0.60 -5.74 -0.07 0.00 -0.02 0.00 0.00 31.44 26.20 2ee2 n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ee2 s VAL 25 N -3.21 5.25 0.21 2.62 0.11 -1.26 -4.50 120.40 119.63 2ee2 s VAL 25 Ca 0.41 0.61 0.04 0.00 -2.93 0.00 0.00 61.98 60.11 2ee2 s VAL 25 Cb -0.19 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2ee2 s VAL 25 CO 0.51 0.31 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.74 2ee2 s GLY 26 N 0.85 1.46 -0.10 6.54 0.00 -0.28 -4.99 107.32 110.80 2ee2 s GLY 26 Ca 0.17 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2ee2 s GLY 26 CO 0.06 -1.65 -0.16 -1.34 0.00 0.00 0.00 173.10 170.02 2ee2 s VAL 27 N -3.40 1.49 -0.20 1.40 -7.23 -1.26 -0.53 120.40 110.67 2ee2 s VAL 27 Ca 0.26 -0.66 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 2ee2 s VAL 27 Cb 0.05 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 2ee2 s VAL 27 CO 0.07 0.44 0.02 -0.75 -0.31 0.00 0.00 175.10 174.57 2ee2 s LYS 28 N 0.80 3.70 -0.23 4.82 2.20 0.26 -4.96 119.74 126.32 2ee2 s LYS 28 Ca -0.11 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2ee2 s LYS 28 Cb -0.16 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2ee2 s LYS 28 CO 0.02 0.06 1.06 0.08 -0.36 0.00 0.00 175.35 176.21 2ee2 s VAL 29 N 0.88 4.63 -0.16 4.02 1.01 -1.26 -0.79 120.40 128.73 2ee2 s VAL 29 Ca 0.02 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.83 2ee2 s VAL 29 Cb -0.14 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2ee2 s VAL 29 CO 0.02 -0.21 -0.22 0.18 0.00 0.00 0.00 175.10 174.88 2ee2 n LEU 30 N 6.41 1.85 -4.20 3.92 4.77 -0.79 -4.97 117.00 123.99 2ee2 n LEU 30 Ca 0.12 0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 56.46 2ee2 n LEU 30 Cb 0.46 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2ee2 n LEU 30 CO 0.53 -0.37 -0.00 -0.55 -1.33 0.00 0.00 177.39 175.67 2ee2 s SER 31 N -5.86 1.35 0.31 -1.43 0.15 -0.52 -4.96 113.70 102.74 2ee2 s SER 31 Ca -0.20 -1.64 0.05 0.00 0.70 0.00 0.00 55.95 54.86 2ee2 s SER 31 Cb 0.03 0.60 0.68 0.00 -1.71 0.00 0.00 66.02 65.63 2ee2 s SER 31 CO 0.30 -1.17 1.83 0.77 1.20 0.00 0.00 173.24 176.17 2ee2 h SER 32 N 2.13 0.81 -0.55 5.45 4.64 -1.92 -1.95 113.55 122.16 2ee2 h SER 32 Ca -0.27 0.06 -0.40 0.00 -0.47 0.00 0.00 61.79 60.71 2ee2 h SER 32 Cb 1.24 -0.10 -0.30 0.00 -0.31 0.00 0.00 62.40 62.92 2ee2 h SER 32 CO 0.38 0.39 -0.66 -0.24 -0.87 0.00 0.00 176.83 175.82 2ee2 n SER 33 N -4.64 4.10 -3.70 4.97 2.88 -1.25 -4.00 113.62 111.99 2ee2 n SER 33 Ca 0.20 -3.79 -0.11 0.00 -1.33 0.00 0.00 58.87 53.83 2ee2 n SER 33 Cb 0.45 -0.42 -0.12 0.00 -0.75 0.00 0.00 64.21 63.38 2ee2 n SER 33 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2ee2 s GLU 34 N -3.50 0.31 -0.10 -1.46 2.02 -0.73 -2.94 118.70 112.29 2ee2 s GLU 34 Ca 0.48 0.73 -0.07 0.00 0.02 0.00 0.00 54.97 56.13 2ee2 s GLU 34 Cb 0.40 -0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.64 2ee2 s GLU 34 CO 0.01 -0.18 0.25 0.42 0.02 0.00 0.00 175.26 175.78 2ee2 s ILE 35 N 1.54 -0.02 0.04 -1.63 1.01 -0.89 -1.44 121.20 119.82 2ee2 s ILE 35 Ca -0.08 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2ee2 s ILE 35 Cb -0.10 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2ee2 s ILE 35 CO -0.11 0.03 0.06 -0.94 0.00 0.00 0.00 174.94 173.99 2ee2 s SER 36 N 0.78 5.48 -0.15 3.58 1.04 0.03 0.56 113.70 125.02 2ee2 s SER 36 Ca -0.05 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2ee2 s SER 36 Cb -0.07 -1.49 0.04 0.00 0.10 0.00 0.00 66.02 64.61 2ee2 s SER 36 CO -0.05 0.22 -0.05 -0.69 0.98 0.00 0.00 173.24 173.65 2ee2 s VAL 37 N -1.28 0.99 0.02 5.02 1.01 -0.98 -0.58 120.40 124.60 2ee2 s VAL 37 Ca 0.26 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2ee2 s VAL 37 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2ee2 s VAL 37 CO 0.18 0.16 0.06 -1.00 0.00 0.00 0.00 175.10 174.49 2ee2 s HIS 38 N 1.69 3.19 0.29 5.22 3.76 0.31 -0.65 115.29 129.09 2ee2 s HIS 38 Ca 0.02 0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 54.95 2ee2 s HIS 38 Cb -0.15 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.87 2ee2 s HIS 38 CO -0.08 0.52 0.50 1.67 -0.85 0.00 0.00 174.74 176.50 2ee2 s TRP 39 N -1.22 0.53 -0.18 1.40 -2.14 -0.46 -1.12 118.94 115.75 2ee2 s TRP 39 Ca 0.24 -0.89 -0.06 0.00 2.66 0.00 0.00 56.10 58.05 2ee2 s TRP 39 Cb -0.12 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 2ee2 s TRP 39 CO 0.15 -1.08 0.01 -2.00 -2.66 0.00 0.00 176.95 171.37 2ee2 s GLU 40 N -3.60 3.78 0.13 3.25 2.12 -1.24 -4.72 118.70 118.42 2ee2 s GLU 40 Ca 0.24 -0.45 -0.33 0.00 0.36 0.00 0.00 54.97 54.79 2ee2 s GLU 40 Cb -0.01 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 31.18 2ee2 s GLU 40 CO 0.12 0.20 1.72 0.72 -0.54 0.00 0.00 175.26 177.48 2ee2 n HIS 41 N 3.70 2.47 -1.19 5.30 8.25 -1.26 -4.56 115.22 127.92 2ee2 n HIS 41 Ca -0.17 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 2ee2 n HIS 41 Cb 0.52 -2.63 0.20 0.00 1.12 0.00 0.00 29.99 29.19 2ee2 n HIS 41 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2ee2 s VAL 42 N 1.86 1.87 -0.41 1.59 -7.23 -1.26 -4.96 120.40 111.85 2ee2 s VAL 42 Ca 0.81 0.00 0.23 0.00 -1.81 0.00 0.00 61.98 61.21 2ee2 s VAL 42 Cb -0.60 -2.53 0.24 0.00 0.56 0.00 0.00 36.38 34.05 2ee2 s VAL 42 CO 0.38 0.00 1.46 0.17 -0.31 0.00 0.00 175.10 176.81 2ee2 h LEU 43 N -2.11 0.00 -8.94 1.32 8.10 -1.93 -3.44 115.31 108.31 2ee2 h LEU 43 Ca -0.51 -0.01 -0.57 0.00 0.11 0.00 0.00 57.88 56.90 2ee2 h LEU 43 Cb 1.32 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.50 2ee2 h LEU 43 CO 0.50 0.00 1.04 -1.61 -4.11 0.00 0.00 178.44 174.26 2ee2 s GLU 44 N -3.24 3.80 0.00 0.17 0.41 -1.26 -4.86 118.70 113.71 2ee2 s GLU 44 Ca 0.05 1.31 0.18 0.00 -0.41 0.00 0.00 54.97 56.10 2ee2 s GLU 44 Cb 0.07 -3.96 0.76 0.00 -1.78 0.00 0.00 34.13 29.22 2ee2 s GLU 44 CO 0.70 -1.28 1.53 1.17 -0.49 0.00 0.00 175.26 176.90 2ee2 n LYS 45 N 7.59 1.52 0.04 1.61 4.81 -1.26 -3.47 118.16 128.99 2ee2 n LYS 45 Ca 0.16 -0.78 0.11 0.00 -0.87 0.00 0.00 58.31 56.94 2ee2 n LYS 45 Cb 0.46 -1.34 0.02 0.00 0.02 0.00 0.00 35.03 34.20 2ee2 n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2ee2 n ILE 46 N 0.02 0.23 -1.64 3.15 -5.35 -1.26 -4.91 119.36 109.60 2ee2 n ILE 46 Ca 0.14 -0.30 -0.46 0.00 -0.27 0.00 0.00 62.75 61.86 2ee2 n ILE 46 Cb 0.24 0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.19 2ee2 n ILE 46 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2ee2 n VAL 47 N -2.09 0.55 0.21 7.28 0.24 -1.23 -4.56 118.33 118.74 2ee2 n VAL 47 Ca 0.01 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 61.98 2ee2 n VAL 47 Cb 0.46 -2.07 -0.08 0.00 -1.47 0.00 0.00 33.84 30.68 2ee2 n VAL 47 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2ee2 h GLU 48 N 10.84 -0.47 -2.48 7.34 4.39 -1.84 -3.46 114.58 128.89 2ee2 h GLU 48 Ca -0.45 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.43 2ee2 h GLU 48 Cb 1.26 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.96 2ee2 h GLU 48 CO 0.96 -0.26 0.47 -1.54 -1.16 0.00 0.00 179.01 177.47 2ee2 s SER 49 N -4.82 -0.14 -0.26 1.42 1.04 -1.20 -4.20 113.70 105.54 2ee2 s SER 49 Ca -0.15 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 2ee2 s SER 49 Cb 0.04 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2ee2 s SER 49 CO 0.62 -1.01 0.12 -0.31 0.98 0.00 0.00 173.24 173.63 2ee2 s TYR 50 N -3.08 3.15 -0.35 5.02 1.51 -1.23 -2.96 117.35 119.41 2ee2 s TYR 50 Ca 0.14 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 55.82 2ee2 s TYR 50 Cb -0.02 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 2ee2 s TYR 50 CO 0.04 -0.26 0.57 -1.14 -1.11 0.00 0.00 175.55 173.65 2ee2 s GLN 51 N 1.64 3.64 -0.83 -0.62 0.74 -1.16 -3.53 119.66 119.55 2ee2 s GLN 51 Ca 0.07 -0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.29 2ee2 s GLN 51 Cb -0.15 -3.81 0.22 0.00 1.10 0.00 0.00 33.01 30.36 2ee2 s GLN 51 CO 0.07 -0.69 0.76 0.42 -0.55 0.00 0.00 175.29 175.30 2ee2 s ILE 52 N 2.53 5.41 -0.05 -2.34 1.09 -0.42 -3.35 121.20 124.07 2ee2 s ILE 52 Ca 0.21 -2.64 -0.28 0.00 -1.10 0.00 0.00 60.65 56.84 2ee2 s ILE 52 Cb -0.15 -4.35 -0.03 0.00 -1.06 0.00 0.00 42.46 36.88 2ee2 s ILE 52 CO 0.14 -1.03 0.93 -0.60 -0.10 0.00 0.00 174.94 174.28 2ee2 s ARG 53 N -0.01 4.49 0.01 2.79 3.52 -0.77 -3.30 118.95 125.68 2ee2 s ARG 53 Ca 0.19 1.30 0.03 0.00 -0.13 0.00 0.00 55.73 57.12 2ee2 s ARG 53 Cb -0.11 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2ee2 s ARG 53 CO -0.08 -0.11 -0.09 1.52 -0.81 0.00 0.00 175.30 175.72 2ee2 s TYR 54 N 1.28 0.84 -0.28 5.12 1.13 -0.97 -0.59 117.35 123.88 2ee2 s TYR 54 Ca 0.48 -0.22 -0.23 0.00 -1.41 0.00 0.00 57.07 55.69 2ee2 s TYR 54 Cb -0.20 -0.53 0.09 0.00 -1.10 0.00 0.00 41.96 40.23 2ee2 s TYR 54 CO 0.23 -0.01 0.82 1.67 -2.51 0.00 0.00 175.55 175.75 2ee2 s TRP 55 N -0.43 -0.73 0.42 -3.49 -2.14 -0.85 -2.17 118.94 109.55 2ee2 s TRP 55 Ca 0.02 1.69 -0.26 0.00 2.66 0.00 0.00 56.10 60.20 2ee2 s TRP 55 Cb -0.05 0.35 -0.09 0.00 -3.10 0.00 0.00 33.47 30.58 2ee2 s TRP 55 CO 0.00 -0.35 1.46 0.00 -2.66 0.00 0.00 176.95 175.40 2ee2 s ALA 56 N 0.58 3.37 0.30 2.67 0.00 -1.26 -0.42 121.76 126.99 2ee2 s ALA 56 Ca -0.01 1.53 0.05 0.00 0.00 0.00 0.00 51.96 53.52 2ee2 s ALA 56 Cb -0.05 -3.61 0.75 0.00 0.00 0.00 0.00 23.12 20.22 2ee2 s ALA 56 CO -0.05 -1.17 1.71 0.00 0.00 0.00 0.00 175.76 176.25 2ee2 h ALA 57 N 2.56 1.51 0.00 0.00 0.00 -1.06 0.95 119.26 123.21 2ee2 h ALA 57 Ca -0.51 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ee2 h ALA 57 Cb 1.26 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2ee2 h ALA 57 CO 0.62 -0.31 -0.02 1.12 0.00 0.00 0.00 179.25 180.66 2ee2 h HIS 58 N 0.45 0.00 -3.89 0.00 -0.00 -1.90 -3.44 115.15 106.38 2ee2 h HIS 58 Ca 0.57 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 60.46 2ee2 h HIS 58 Cb 1.08 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 28.54 2ee2 h HIS 58 CO -0.11 0.02 0.24 -0.51 -0.00 0.00 0.00 177.93 177.57 2ee2 s ASP 59 N -5.78 5.83 0.16 3.10 1.11 0.33 -5.08 116.67 116.33 2ee2 s ASP 59 Ca 0.02 0.95 -0.02 0.00 0.18 0.00 0.00 52.55 53.67 2ee2 s ASP 59 Cb 0.09 -1.99 -0.05 0.00 1.07 0.00 0.00 42.92 42.03 2ee2 s ASP 59 CO 0.56 -0.96 0.37 -0.54 1.18 0.00 0.00 175.17 175.78 2ee2 s LYS 60 N -5.02 3.56 0.58 8.23 -0.14 -1.26 -4.76 119.74 120.93 2ee2 s LYS 60 Ca 0.53 -0.24 0.35 0.00 -1.36 0.00 0.00 55.97 55.26 2ee2 s LYS 60 Cb -0.11 -2.86 1.77 0.00 -1.68 0.00 0.00 37.83 34.96 2ee2 s LYS 60 CO 0.48 0.45 2.16 0.93 -0.76 0.00 0.00 175.35 178.60 2ee2 h GLU 61 N 2.46 0.00 0.00 1.68 3.07 -1.97 -1.78 114.58 118.05 2ee2 h GLU 61 Ca -0.47 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.32 2ee2 h GLU 61 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 2ee2 h GLU 61 CO 0.71 0.04 -0.36 1.05 -1.40 0.00 0.00 179.01 179.05 2ee2 h GLU 62 N 0.00 0.00 -0.55 2.33 4.11 -2.02 -2.59 114.58 115.85 2ee2 h GLU 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ee2 h GLU 62 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ee2 h GLU 62 CO 0.01 0.36 0.00 0.00 0.07 0.00 0.00 179.01 179.45 2ee2 n ALA 63 N -2.40 2.59 -1.94 1.06 0.00 -0.69 -4.99 120.51 114.15 2ee2 n ALA 63 Ca -0.01 -1.44 -0.41 0.00 0.00 0.00 0.00 53.44 51.57 2ee2 n ALA 63 Cb 0.43 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 2ee2 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ee2 s ALA 64 N -1.43 3.51 0.46 0.00 0.00 -0.98 -4.95 121.76 118.37 2ee2 s ALA 64 Ca 0.41 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 2ee2 s ALA 64 Cb 0.25 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 2ee2 s ALA 64 CO 0.23 -0.53 0.98 -0.80 0.00 0.00 0.00 175.76 175.64 2ee2 s ASN 65 N 0.11 6.73 -0.05 0.00 0.02 -0.92 -4.89 114.94 115.94 2ee2 s ASN 65 Ca 0.54 1.72 0.06 0.00 -1.02 0.00 0.00 52.86 54.16 2ee2 s ASN 65 Cb -0.37 -2.54 -0.01 0.00 0.02 0.00 0.00 41.25 38.35 2ee2 s ASN 65 CO 0.41 -0.51 -0.23 -0.13 0.02 0.00 0.00 177.10 176.66 2ee2 s ARG 66 N -3.37 2.35 -0.10 -0.60 0.52 -1.26 -2.29 118.95 114.19 2ee2 s ARG 66 Ca 0.62 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2ee2 s ARG 66 Cb -0.11 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.37 2ee2 s ARG 66 CO 0.18 0.37 -0.05 0.08 0.02 0.00 0.00 175.30 175.90 2ee2 s VAL 67 N -0.16 0.83 -0.10 3.52 1.01 -1.21 -4.99 120.40 119.30 2ee2 s VAL 67 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2ee2 s VAL 67 Cb -0.13 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2ee2 s VAL 67 CO 0.03 0.34 -0.04 -1.58 0.00 0.00 0.00 175.10 173.85 2ee2 s GLN 68 N 1.78 3.12 0.00 2.72 0.74 -1.26 -1.31 119.66 125.46 2ee2 s GLN 68 Ca 0.05 -0.50 -0.00 0.00 0.05 0.00 0.00 55.36 54.96 2ee2 s GLN 68 Cb -0.12 -2.76 -0.00 0.00 1.10 0.00 0.00 33.01 31.23 2ee2 s GLN 68 CO -0.07 0.54 0.00 0.14 -0.55 0.00 0.00 175.29 175.35 2ee2 s VAL 69 N -0.44 0.01 0.11 1.34 -7.23 -1.23 -5.03 120.40 107.93 2ee2 s VAL 69 Ca 0.07 -0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 59.92 2ee2 s VAL 69 Cb -0.12 -0.03 -0.14 0.00 0.56 0.00 0.00 36.38 36.64 2ee2 s VAL 69 CO 0.02 -0.03 0.55 0.35 -0.31 0.00 0.00 175.10 175.68 2ee2 n THR 70 N 2.98 1.14 0.22 5.32 -2.24 -1.26 -3.57 114.28 116.87 2ee2 n THR 70 Ca -0.13 -0.29 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2ee2 n THR 70 Cb 0.60 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 69.50 2ee2 n THR 70 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2ee2 h SER 71 N 1.28 0.00 0.86 3.42 0.87 -1.90 0.17 113.55 118.25 2ee2 h SER 71 Ca -0.28 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 2ee2 h SER 71 Cb 1.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2ee2 h SER 71 CO 0.48 0.00 -0.32 1.56 -0.53 0.00 0.00 176.83 178.02 2ee2 h GLN 72 N 0.00 0.00 -6.28 2.24 4.20 -1.94 -3.43 115.11 109.90 2ee2 h GLN 72 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2ee2 h GLN 72 Cb 0.27 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2ee2 h GLN 72 CO 0.00 0.32 0.98 -1.21 -0.67 0.00 0.00 178.83 178.25 2ee2 s GLU 73 N -3.64 3.99 0.00 1.46 0.41 0.59 -4.87 118.70 116.64 2ee2 s GLU 73 Ca 0.00 1.45 0.23 0.00 -0.41 0.00 0.00 54.97 56.24 2ee2 s GLU 73 Cb 0.11 -3.87 1.36 0.00 -1.78 0.00 0.00 34.13 29.94 2ee2 s GLU 73 CO 0.67 -1.02 1.84 0.66 -0.49 0.00 0.00 175.26 176.91 2ee2 n TYR 74 N 7.45 0.00 -3.83 1.61 4.02 -1.26 -4.86 117.16 120.29 2ee2 n TYR 74 Ca 0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.97 2ee2 n TYR 74 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.79 2ee2 n TYR 74 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2ee2 s SER 75 N -1.77 -0.03 0.33 7.72 1.04 -1.26 -1.36 113.70 118.38 2ee2 s SER 75 Ca 0.34 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2ee2 s SER 75 Cb 0.16 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 2ee2 s SER 75 CO 0.26 -1.46 0.35 0.00 0.98 0.00 0.00 173.24 173.37 2ee2 s ALA 76 N -2.49 1.43 -0.02 5.32 0.00 0.17 -4.97 121.76 121.20 2ee2 s ALA 76 Ca 0.16 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.28 2ee2 s ALA 76 Cb -0.04 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.44 2ee2 s ALA 76 CO 0.09 -0.71 -0.06 0.50 0.00 0.00 0.00 175.76 175.59 2ee2 s ARG 77 N -3.32 0.66 0.11 0.00 6.06 -1.26 -2.32 118.95 118.88 2ee2 s ARG 77 Ca 0.37 -0.18 0.08 0.00 -2.50 0.00 0.00 55.73 53.50 2ee2 s ARG 77 Cb 0.02 -0.66 -0.04 0.00 0.06 0.00 0.00 34.95 34.33 2ee2 s ARG 77 CO 0.24 0.05 -0.15 -0.51 -2.50 0.00 0.00 175.30 172.43 2ee2 s LEU 78 N 0.31 2.83 0.27 -0.88 1.43 0.19 -4.97 118.68 117.86 2ee2 s LEU 78 Ca -0.04 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 2ee2 s LEU 78 Cb -0.08 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2ee2 s LEU 78 CO -0.00 0.18 0.36 -1.61 0.23 0.00 0.00 176.35 175.50 2ee2 s GLU 79 N -2.19 1.58 -1.07 1.70 2.02 -1.26 -2.09 118.70 117.38 2ee2 s GLU 79 Ca 0.19 -1.59 -0.02 0.00 0.02 0.00 0.00 54.97 53.57 2ee2 s GLU 79 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2ee2 s GLU 79 CO 0.12 -0.62 0.90 0.09 0.02 0.00 0.00 175.26 175.77 2ee2 n ASN 80 N -0.77 -3.13 -4.64 -0.19 3.02 -1.15 -4.94 115.26 103.47 2ee2 n ASN 80 Ca 0.01 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.75 2ee2 n ASN 80 Cb 0.63 -4.44 -0.09 0.00 -0.61 0.00 0.00 39.78 35.27 2ee2 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ee2 s LEU 81 N -5.92 3.28 0.36 3.41 1.43 -1.26 -5.06 118.68 114.91 2ee2 s LEU 81 Ca 0.15 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 2ee2 s LEU 81 Cb -0.06 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 2ee2 s LEU 81 CO 0.62 0.19 1.03 -0.76 0.23 0.00 0.00 176.35 177.67 2ee2 s LEU 82 N -2.14 4.26 0.42 1.79 1.43 -1.26 -3.86 118.68 119.33 2ee2 s LEU 82 Ca 0.23 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 55.11 2ee2 s LEU 82 Cb -0.11 -4.05 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 2ee2 s LEU 82 CO 0.15 -0.32 1.18 -2.16 0.23 0.00 0.00 176.35 175.43 2ee2 s PRO 83 N -2.21 3.93 -1.75 1.29 0.04 -1.26 -3.32 135.00 131.73 2ee2 s PRO 83 Ca 0.54 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2ee2 s PRO 83 Cb -0.23 -2.58 0.16 0.00 0.04 0.00 0.00 34.50 31.90 2ee2 s PRO 83 CO 0.29 -0.43 0.60 -3.47 0.04 0.00 0.00 177.00 174.03 2ee2 n ASP 84 N -0.14 -2.02 -4.00 6.66 2.03 0.51 -4.87 116.55 114.72 2ee2 n ASP 84 Ca 0.05 -1.14 -0.29 0.00 0.52 0.00 0.00 54.79 53.93 2ee2 n ASP 84 Cb 0.47 -2.17 -0.17 0.00 -0.72 0.00 0.00 41.12 38.53 2ee2 n ASP 84 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ee2 s THR 85 N -3.44 1.43 0.24 5.18 2.01 -1.21 -4.86 115.64 114.99 2ee2 s THR 85 Ca 0.65 -0.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 2ee2 s THR 85 Cb -0.37 -1.35 -0.13 0.00 0.01 0.00 0.00 72.50 70.66 2ee2 s THR 85 CO 0.98 0.43 1.57 1.67 -0.69 0.00 0.00 174.62 178.58 2ee2 n GLN 86 N 4.70 2.43 -3.85 4.92 7.27 -1.26 -3.82 117.38 127.76 2ee2 n GLN 86 Ca -0.16 0.87 -0.27 0.00 0.07 0.00 0.00 57.00 57.51 2ee2 n GLN 86 Cb 0.50 -2.63 -0.17 0.00 2.41 0.00 0.00 30.24 30.36 2ee2 n GLN 86 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2ee2 s TYR 87 N 0.39 1.38 -0.29 3.69 2.02 0.84 -0.38 117.35 125.00 2ee2 s TYR 87 Ca 0.70 -0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 2ee2 s TYR 87 Cb -0.57 -1.17 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2ee2 s TYR 87 CO 0.44 -0.54 1.06 -0.06 -1.57 0.00 0.00 175.55 174.88 2ee2 s PHE 88 N 1.74 3.20 -0.03 2.71 0.08 0.43 -0.80 117.98 125.32 2ee2 s PHE 88 Ca 0.02 1.27 0.02 0.00 0.12 0.00 0.00 56.93 58.36 2ee2 s PHE 88 Cb -0.14 -3.57 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 2ee2 s PHE 88 CO -0.07 -0.68 -0.06 0.42 -0.10 0.00 0.00 175.22 174.72 2ee2 s ILE 89 N 3.52 3.73 -0.09 0.64 1.01 0.56 -2.01 121.20 128.56 2ee2 s ILE 89 Ca 0.45 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 2ee2 s ILE 89 Cb -0.13 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.79 2ee2 s ILE 89 CO 0.13 0.49 -0.01 -1.61 0.00 0.00 0.00 174.94 173.93 2ee2 s GLU 90 N -1.15 0.76 -0.30 2.79 2.02 0.24 -2.58 118.70 120.47 2ee2 s GLU 90 Ca 0.15 0.01 -0.03 0.00 0.02 0.00 0.00 54.97 55.12 2ee2 s GLU 90 Cb -0.11 -1.15 0.04 0.00 0.10 0.00 0.00 34.13 33.01 2ee2 s GLU 90 CO 0.05 -0.32 0.02 0.08 0.02 0.00 0.00 175.26 175.11 2ee2 s VAL 91 N 1.92 3.24 -0.07 2.63 1.01 -1.26 -1.85 120.40 126.02 2ee2 s VAL 91 Ca 0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2ee2 s VAL 91 Cb -0.13 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.48 2ee2 s VAL 91 CO -0.06 -0.07 0.17 -0.83 0.00 0.00 0.00 175.10 174.31 2ee2 s GLY 92 N 1.32 -0.07 0.61 4.51 0.00 -1.21 -3.38 107.32 109.09 2ee2 s GLY 92 Ca -0.03 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.28 2ee2 s GLY 92 CO -0.00 1.00 1.04 0.00 0.00 0.00 0.00 173.10 175.14 2ee2 s ALA 93 N 1.08 2.82 -0.28 3.20 0.00 -1.26 -2.96 121.76 124.36 2ee2 s ALA 93 Ca -0.08 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 2ee2 s ALA 93 Cb -0.10 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 20.00 2ee2 s ALA 93 CO -0.06 -0.79 1.23 0.00 0.00 0.00 0.00 175.76 176.14 2ee2 s ASN 95 N -0.09 4.71 0.26 0.00 4.22 -1.19 -2.63 114.94 120.23 2ee2 s ASN 95 Ca 0.05 -0.97 -0.02 0.00 -2.14 0.00 0.00 52.86 49.78 2ee2 s ASN 95 Cb -0.04 -0.38 0.35 0.00 1.28 0.00 0.00 41.25 42.46 2ee2 s ASN 95 CO -0.10 -0.68 1.78 -1.28 -2.04 0.00 0.00 177.10 174.79 2ee2 h SER 96 N 1.16 0.77 0.00 3.54 0.87 -1.93 -3.31 113.55 114.64 2ee2 h SER 96 Ca -0.41 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2ee2 h SER 96 Cb 1.27 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2ee2 h SER 96 CO 0.63 0.81 0.00 0.00 -0.53 0.00 0.00 176.83 177.74 2ee2 n ALA 97 N -2.47 -0.20 -2.52 6.23 0.00 -1.26 -4.86 120.51 115.43 2ee2 n ALA 97 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 2ee2 n ALA 97 Cb 0.28 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 2ee2 n ALA 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ee2 s GLY 98 N -0.52 2.08 -0.17 0.00 0.00 -1.12 -4.87 107.32 102.71 2ee2 s GLY 98 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.60 2ee2 s GLY 98 CO 0.00 -2.00 0.21 0.00 0.00 0.00 0.00 173.10 171.31 2ee2 s GLY 100 N 0.33 1.60 0.29 0.00 0.00 -1.26 -4.82 107.32 103.46 2ee2 s GLY 100 Ca 0.13 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 2ee2 s GLY 100 CO 0.01 -0.93 1.24 2.56 0.00 0.00 0.00 173.10 175.98 2ee2 s PRO 101 N -3.58 4.46 0.64 2.90 0.04 -1.26 -4.91 135.00 133.28 2ee2 s PRO 101 Ca 0.37 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 2ee2 s PRO 101 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2ee2 s PRO 101 CO 0.30 -0.06 1.11 -1.25 0.04 0.00 0.00 177.00 177.14 2ee2 s PRO 102 N -1.43 2.89 0.86 0.56 0.04 -1.26 -4.70 135.00 131.96 2ee2 s PRO 102 Ca 0.49 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 2ee2 s PRO 102 Cb -0.37 -1.96 0.20 0.00 0.04 0.00 0.00 34.50 32.42 2ee2 s PRO 102 CO 0.47 -1.19 1.03 -1.13 0.04 0.00 0.00 177.00 176.23 2ee2 n SER 103 N -2.24 -0.50 -4.73 6.66 3.41 -1.22 -4.98 113.62 110.01 2ee2 n SER 103 Ca 0.11 -1.29 -0.40 0.00 -0.26 0.00 0.00 58.87 57.02 2ee2 n SER 103 Cb 0.52 -0.83 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2ee2 n SER 103 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ee2 n ASP 104 N -3.95 2.88 -4.55 4.04 -0.08 -1.26 -4.83 116.55 108.80 2ee2 n ASP 104 Ca 0.13 1.08 -0.39 0.00 -1.51 0.00 0.00 54.79 54.11 2ee2 n ASP 104 Cb 0.48 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 2ee2 n ASP 104 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2ee2 s MET 105 N -2.46 2.93 -0.02 -0.67 -2.45 -1.26 -4.71 119.30 110.65 2ee2 s MET 105 Ca 0.63 0.05 -0.14 0.00 -1.25 0.00 0.00 55.69 54.98 2ee2 s MET 105 Cb -0.46 -4.44 -0.05 0.00 1.25 0.00 0.00 34.83 31.13 2ee2 s MET 105 CO 0.56 -2.51 0.39 0.42 1.05 0.00 0.00 175.02 174.93 2ee2 s ILE 106 N 7.48 5.09 -0.02 10.11 1.01 -1.07 -4.98 121.20 138.83 2ee2 s ILE 106 Ca 0.53 0.79 0.03 0.00 0.00 0.00 0.00 60.65 62.00 2ee2 s ILE 106 Cb -0.09 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2ee2 s ILE 106 CO 0.14 0.56 -0.10 -1.83 0.00 0.00 0.00 174.94 173.71 2ee2 s GLU 107 N -0.89 2.51 0.17 2.79 -1.05 -1.26 -0.32 118.70 120.65 2ee2 s GLU 107 Ca 0.23 -0.72 0.10 0.00 -0.15 0.00 0.00 54.97 54.43 2ee2 s GLU 107 Cb -0.16 -2.45 -0.04 0.00 -0.44 0.00 0.00 34.13 31.04 2ee2 s GLU 107 CO 0.12 0.61 -0.21 0.00 0.95 0.00 0.00 175.26 176.73 2ee2 s ALA 108 N -0.89 2.24 -0.20 -0.84 0.00 0.02 -4.95 121.76 117.14 2ee2 s ALA 108 Ca 0.14 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2ee2 s ALA 108 Cb -0.11 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.81 2ee2 s ALA 108 CO 0.04 0.34 -0.01 -0.06 0.00 0.00 0.00 175.76 176.08 2ee2 s PHE 109 N -1.77 1.58 1.21 0.00 0.40 -1.26 -0.11 117.98 118.02 2ee2 s PHE 109 Ca 0.17 -1.19 -0.19 0.00 -0.60 0.00 0.00 56.93 55.12 2ee2 s PHE 109 Cb -0.07 -1.25 0.29 0.00 0.51 0.00 0.00 43.02 42.49 2ee2 s PHE 109 CO 0.08 -0.66 1.09 0.95 0.70 0.00 0.00 175.22 177.37 2ee2 s THR 110 N 1.67 1.61 0.41 0.64 -4.23 -1.25 -4.93 115.64 109.56 2ee2 s THR 110 Ca -0.02 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.56 2ee2 s THR 110 Cb -0.17 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2ee2 s THR 110 CO -0.07 0.00 0.56 -0.54 -0.54 0.00 0.00 174.62 174.03 2ee2 s LYS 111 N -5.32 2.88 0.14 3.99 -0.14 -1.26 -3.38 119.74 116.66 2ee2 s LYS 111 Ca 0.70 -1.18 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 2ee2 s LYS 111 Cb -0.11 -2.76 -0.07 0.00 -1.68 0.00 0.00 37.83 33.20 2ee2 s LYS 111 CO 0.57 -0.22 1.21 0.15 -0.76 0.00 0.00 175.35 176.30 2ee2 s LYS 112 N -4.33 4.46 -0.54 1.68 1.02 -1.26 -0.36 119.74 120.41 2ee2 s LYS 112 Ca 0.53 1.86 -0.28 0.00 0.02 0.00 0.00 55.97 58.11 2ee2 s LYS 112 Cb -0.10 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2ee2 s LYS 112 CO 0.33 -0.16 1.47 0.00 -0.92 0.00 0.00 175.35 176.07 2ee2 s ALA 113 N 0.36 2.78 -0.00 5.17 0.00 -1.26 -4.81 121.76 123.99 2ee2 s ALA 113 Ca 0.55 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2ee2 s ALA 113 Cb -0.32 -4.10 -0.01 0.00 0.00 0.00 0.00 23.12 18.69 2ee2 s ALA 113 CO 0.34 -2.95 -0.03 0.43 0.00 0.00 0.00 175.76 173.55 2ee2 n SER 114 N 9.82 0.30 0.00 0.00 7.64 -1.26 -5.14 113.62 124.98 2ee2 n SER 114 Ca 0.14 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2ee2 n SER 114 Cb 0.49 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2ee2 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ee2 n GLY 115 N 2.60 -0.02 3.56 0.23 0.00 -1.26 -5.05 105.19 105.25 2ee2 n GLY 115 Ca -0.01 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2ee2 n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ee2 s PRO 116 N -2.00 2.58 0.35 1.61 0.04 -1.26 -4.90 135.00 131.43 2ee2 s PRO 116 Ca 0.00 0.13 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 2ee2 s PRO 116 Cb 0.00 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2ee2 s PRO 116 CO 0.00 -3.08 0.48 0.45 0.04 0.00 0.00 177.00 174.89 2ee2 s SER 117 N 8.09 1.05 0.01 6.66 0.15 -1.26 -5.18 113.70 123.22 2ee2 s SER 117 Ca 0.69 -1.54 0.01 0.00 0.70 0.00 0.00 55.95 55.81 2ee2 s SER 117 Cb -0.09 0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 64.88 2ee2 s SER 117 CO 0.09 -1.32 -0.03 -0.94 1.20 0.00 0.00 173.24 172.24 2ee2 s SER 118 N -3.26 0.36 0.00 5.45 1.04 -1.26 -5.22 113.70 110.81 2ee2 s SER 118 Ca 0.31 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2ee2 s SER 118 Cb -0.01 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2ee2 s SER 118 CO 0.22 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.91