#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem s SER 2 N 0.00 6.87 -0.64 1.61 0.15 -1.26 -4.57 113.70 115.86 1uem s SER 2 Ca 0.00 1.88 -0.06 0.00 0.70 0.00 0.00 55.95 58.47 1uem s SER 2 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1uem s SER 2 CO 0.00 -0.80 0.43 -1.20 1.20 0.00 0.00 173.24 172.87 1uem n SER 3 N 6.60 -3.18 0.00 5.45 7.64 -1.26 -4.95 113.62 123.92 1uem n SER 3 Ca 0.15 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1uem n SER 3 Cb 0.44 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1uem n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uem n GLY 4 N -1.41 0.79 3.55 0.23 0.00 -1.26 -4.89 105.19 102.20 1uem n GLY 4 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1uem n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uem n SER 5 N 0.00 2.18 -4.05 1.61 7.64 -1.26 -4.98 113.62 114.76 1uem n SER 5 Ca 0.00 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 58.96 1uem n SER 5 Cb 0.00 -1.58 0.22 0.00 -1.01 0.00 0.00 64.21 61.84 1uem n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 6 N 11.98 1.55 0.43 6.43 0.01 -1.26 -4.52 113.70 128.31 1uem s SER 6 Ca 0.99 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1uem s SER 6 Cb -0.20 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.00 1uem s SER 6 CO 0.25 -3.74 0.00 0.61 0.41 0.00 0.00 173.24 170.76 1uem n GLY 7 N -1.31 0.41 2.88 3.44 0.00 -1.26 -4.24 105.19 105.11 1uem n GLY 7 Ca 0.11 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1uem n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uem n LYS 8 N 12.07 2.12 -2.04 1.61 4.81 -1.26 -4.91 118.16 130.56 1uem n LYS 8 Ca 0.00 -2.06 -0.42 0.00 -0.87 0.00 0.00 58.31 54.95 1uem n LYS 8 Cb 0.00 -2.98 -0.03 0.00 0.02 0.00 0.00 35.03 32.05 1uem n LYS 8 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1uem s ASN 9 N 4.08 6.63 0.00 3.14 2.47 -1.26 -4.38 114.94 125.63 1uem s ASN 9 Ca 0.53 2.12 0.00 0.00 0.42 0.00 0.00 52.86 55.93 1uem s ASN 9 Cb 0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1uem s ASN 9 CO 0.02 -0.97 0.00 0.00 -3.72 0.00 0.00 177.10 172.43 1uem n TYR 10 N 7.33 0.00 -4.08 0.43 9.36 -1.26 -4.71 117.16 124.23 1uem n TYR 10 Ca 0.17 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 1uem n TYR 10 Cb 0.43 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.08 1uem n TYR 10 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1uem s ASP 11 N -4.00 0.14 0.00 2.98 1.01 -1.26 -5.06 116.67 110.48 1uem s ASP 11 Ca 0.00 -1.16 0.05 0.00 0.71 0.00 0.00 52.55 52.16 1uem s ASP 11 Cb 0.00 0.53 0.32 0.00 1.01 0.00 0.00 42.92 44.78 1uem s ASP 11 CO 0.00 -1.06 0.81 0.18 0.21 0.00 0.00 175.17 175.31 1uem n LEU 12 N -0.37 0.00 -3.22 1.23 4.32 -1.26 -4.85 117.00 112.84 1uem n LEU 12 Ca 0.00 0.02 -0.46 0.00 -0.02 0.00 0.00 56.01 55.55 1uem n LEU 12 Cb 0.63 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.34 1uem n LEU 12 CO 0.27 -0.02 0.84 -1.54 -1.22 0.00 0.00 177.39 175.72 1uem n SER 13 N -1.02 0.79 -3.33 -1.43 3.41 -1.26 -4.83 113.62 105.95 1uem n SER 13 Ca 0.04 0.77 -0.31 0.00 -0.26 0.00 0.00 58.87 59.11 1uem n SER 13 Cb 0.02 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1uem n SER 13 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1uem n ASP 14 N 3.07 5.35 -4.32 4.04 9.92 -1.26 -4.83 116.55 128.52 1uem n ASP 14 Ca 0.24 -2.49 -0.18 0.00 -0.53 0.00 0.00 54.79 51.83 1uem n ASP 14 Cb -0.04 -1.26 -0.10 0.00 -0.64 0.00 0.00 41.12 39.08 1uem n ASP 14 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1uem s LEU 15 N 0.48 2.53 0.86 0.64 1.43 -1.26 -4.71 118.68 118.64 1uem s LEU 15 Ca 0.50 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1uem s LEU 15 Cb 0.13 -0.63 0.11 0.00 0.03 0.00 0.00 46.19 45.84 1uem s LEU 15 CO -0.02 -0.18 1.17 -2.84 0.23 0.00 0.00 176.35 174.71 1uem s PRO 16 N -3.49 1.35 0.64 1.29 0.02 -1.26 -4.84 135.00 128.71 1uem s PRO 16 Ca 0.20 1.63 -0.17 0.00 0.02 0.00 0.00 61.00 62.67 1uem s PRO 16 Cb -0.01 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 1uem s PRO 16 CO 0.05 -2.40 1.21 0.20 -0.33 0.00 0.00 177.00 175.73 1uem s GLY 17 N -2.47 2.61 0.41 0.52 0.00 -0.02 -4.33 107.32 104.04 1uem s GLY 17 Ca 0.69 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 46.11 1uem s GLY 17 CO 0.54 1.36 1.39 -1.05 0.00 0.00 0.00 173.10 175.34 1uem n PRO 18 N -1.98 2.26 -0.71 2.90 -0.02 -1.26 -4.02 135.00 132.16 1uem n PRO 18 Ca 0.14 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 62.13 1uem n PRO 18 Cb 0.50 -2.54 0.22 0.00 -0.02 0.00 0.00 33.50 31.66 1uem n PRO 18 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1uem s PRO 19 N -2.23 -0.39 0.53 0.52 0.02 -1.26 -3.81 135.00 128.38 1uem s PRO 19 Ca 0.58 0.84 -0.04 0.00 0.02 0.00 0.00 61.00 62.40 1uem s PRO 19 Cb -0.49 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 1uem s PRO 19 CO 0.60 -3.37 0.81 -1.12 -0.33 0.00 0.00 177.00 173.59 1uem s SER 20 N -2.76 5.83 0.09 2.53 0.01 -0.48 -4.66 113.70 114.26 1uem s SER 20 Ca 0.67 0.67 -0.33 0.00 1.31 0.00 0.00 55.95 58.28 1uem s SER 20 Cb -0.23 -1.81 -0.12 0.00 0.21 0.00 0.00 66.02 64.07 1uem s SER 20 CO 0.62 -0.85 1.77 1.17 0.41 0.00 0.00 173.24 176.37 1uem n LYS 21 N -2.38 2.47 -1.24 12.44 0.00 -1.26 -4.46 118.16 123.74 1uem n LYS 21 Ca 0.03 0.90 -0.32 0.00 0.00 0.00 0.00 58.31 58.91 1uem n LYS 21 Cb 0.57 -2.75 0.10 0.00 0.00 0.00 0.00 35.03 32.96 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1uem s PRO 22 N 2.50 2.01 -0.09 1.64 0.04 -1.26 -4.73 135.00 135.10 1uem s PRO 22 Ca 0.83 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 1uem s PRO 22 Cb -0.59 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1uem s PRO 22 CO 0.41 -1.87 0.00 -0.65 0.04 0.00 0.00 177.00 174.93 1uem s GLN 23 N -4.49 0.67 0.92 4.56 -0.21 0.10 -4.63 119.66 116.57 1uem s GLN 23 Ca 0.66 0.00 -0.11 0.00 0.02 0.00 0.00 55.36 55.94 1uem s GLN 23 Cb -0.22 -1.19 0.15 0.00 1.00 0.00 0.00 33.01 32.75 1uem s GLN 23 CO 0.52 -0.36 1.11 0.14 -2.12 0.00 0.00 175.29 174.59 1uem s VAL 24 N 1.94 2.36 0.00 1.09 -7.23 -1.26 -0.61 120.40 116.69 1uem s VAL 24 Ca 0.04 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1uem s VAL 24 Cb -0.13 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1uem s VAL 24 CO -0.06 -0.15 0.00 0.35 -0.31 0.00 0.00 175.10 174.93 1uem n THR 25 N -4.16 0.00 -2.76 5.32 -2.24 0.30 -4.80 114.28 105.95 1uem n THR 25 Ca 0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 1uem n THR 25 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 1uem n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uem s ASP 26 N 0.99 7.41 -0.01 3.42 2.15 -1.25 -4.92 116.67 124.46 1uem s ASP 26 Ca 0.00 1.89 -0.04 0.00 0.43 0.00 0.00 52.55 54.82 1uem s ASP 26 Cb 0.00 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1uem s ASP 26 CO 0.00 -0.02 0.09 0.54 -0.17 0.00 0.00 175.17 175.61 1uem s VAL 27 N -1.48 0.06 0.05 1.11 0.11 -1.26 -0.52 120.40 118.47 1uem s VAL 27 Ca 0.48 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1uem s VAL 27 Cb -0.21 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1uem s VAL 27 CO 0.27 -0.28 -0.03 0.35 -3.33 0.00 0.00 175.10 172.09 1uem n THR 28 N 2.03 0.95 0.00 5.04 -2.24 -0.11 -4.88 114.28 115.07 1uem n THR 28 Ca -0.19 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1uem n THR 28 Cb 0.57 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1uem n THR 28 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1uem n LYS 29 N -3.32 0.00 0.00 -0.78 2.85 -1.26 -4.25 118.16 111.40 1uem n LYS 29 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1uem n LYS 29 Cb 0.04 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 1uem n LYS 29 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1uem n ASN 30 N 0.00 0.12 -4.18 -5.58 0.23 -1.26 -1.76 115.26 102.82 1uem n ASN 30 Ca 0.00 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.58 52.86 1uem n ASN 30 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1uem s SER 31 N -0.04 1.49 -0.22 0.53 0.01 -1.26 -0.87 113.70 113.34 1uem s SER 31 Ca 0.00 -0.82 -0.16 0.00 1.31 0.00 0.00 55.95 56.29 1uem s SER 31 Cb 0.00 0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.29 1uem s SER 31 CO 0.00 -0.26 0.55 0.54 0.41 0.00 0.00 173.24 174.48 1uem s VAL 32 N -2.43 -0.01 -0.18 3.43 0.11 -0.39 -0.93 120.40 120.00 1uem s VAL 32 Ca 0.06 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 1uem s VAL 32 Cb -0.03 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1uem s VAL 32 CO 0.00 0.01 0.31 -0.89 -3.33 0.00 0.00 175.10 171.21 1uem s THR 33 N 0.95 5.28 -0.19 5.04 2.01 0.32 -0.58 115.64 128.46 1uem s THR 33 Ca -0.05 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 1uem s THR 33 Cb -0.05 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1uem s THR 33 CO -0.08 0.35 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.36 1uem s LEU 34 N 0.72 2.77 0.16 4.42 1.43 0.34 -0.54 118.68 127.99 1uem s LEU 34 Ca 0.17 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1uem s LEU 34 Cb -0.13 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1uem s LEU 34 CO 0.05 0.03 0.48 -0.55 0.23 0.00 0.00 176.35 176.59 1uem s SER 35 N 1.16 6.64 0.23 2.29 0.15 0.22 -1.42 113.70 122.98 1uem s SER 35 Ca 0.02 0.86 0.01 0.00 0.70 0.00 0.00 55.95 57.53 1uem s SER 35 Cb -0.14 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1uem s SER 35 CO -0.02 0.04 0.16 -1.66 1.20 0.00 0.00 173.24 172.96 1uem s TRP 36 N -1.62 1.31 -0.01 3.44 -2.14 -0.50 0.01 118.94 119.44 1uem s TRP 36 Ca 0.41 -1.44 0.02 0.00 2.66 0.00 0.00 56.10 57.75 1uem s TRP 36 Cb -0.13 -0.61 -0.03 0.00 -3.10 0.00 0.00 33.47 29.60 1uem s TRP 36 CO 0.21 -0.69 -0.03 -0.65 -2.66 0.00 0.00 176.95 173.13 1uem s GLN 37 N -3.99 2.71 0.57 3.25 -0.21 -1.26 -4.76 119.66 115.96 1uem s GLN 37 Ca 0.39 -0.64 -0.12 0.00 0.02 0.00 0.00 55.36 55.02 1uem s GLN 37 Cb 0.06 -2.61 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 1uem s GLN 37 CO 0.16 0.62 0.98 -1.25 -2.12 0.00 0.00 175.29 173.67 1uem s PRO 38 N -1.44 3.69 0.45 2.91 0.04 -1.26 -1.38 135.00 138.01 1uem s PRO 38 Ca 0.18 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1uem s PRO 38 Cb -0.11 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.37 1uem s PRO 38 CO 0.08 -0.42 0.62 0.41 0.04 0.00 0.00 177.00 177.72 1uem n GLY 39 N -2.33 0.95 3.80 0.56 0.00 -1.25 -4.67 105.19 102.26 1uem n GLY 39 Ca 0.05 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1uem n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uem s THR 40 N -1.77 3.84 0.00 2.61 2.01 -1.26 -4.79 115.64 116.28 1uem s THR 40 Ca 0.42 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1uem s THR 40 Cb -0.03 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1uem s THR 40 CO 0.27 -0.52 0.00 -0.81 -0.69 0.00 0.00 174.62 172.87 1uem n PRO 41 N -2.05 0.00 0.00 4.92 -0.04 -1.26 -0.84 135.00 135.73 1uem n PRO 41 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1uem n PRO 41 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1uem n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uem n GLY 42 N 4.06 1.27 0.34 0.55 0.00 -1.26 -4.17 105.19 105.98 1uem n GLY 42 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1uem n GLY 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1uem h THR 43 N 0.00 0.33 -3.66 2.61 1.35 -1.94 -3.44 112.91 108.16 1uem h THR 43 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 1uem h THR 43 Cb 0.00 0.33 -0.15 0.00 -1.73 0.00 0.00 68.15 66.61 1uem h THR 43 CO 0.00 0.00 -0.70 -0.76 -0.25 0.00 0.00 175.52 173.81 1uem s LEU 44 N -10.25 2.48 0.57 3.87 1.43 -1.26 -5.09 118.68 110.43 1uem s LEU 44 Ca -0.16 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 51.75 1uem s LEU 44 Cb 0.07 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 46.08 1uem s LEU 44 CO 0.64 -0.43 1.04 -2.16 0.23 0.00 0.00 176.35 175.67 1uem s PRO 45 N -3.81 3.47 0.87 1.29 0.04 -1.26 -4.56 135.00 131.04 1uem s PRO 45 Ca 0.15 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1uem s PRO 45 Cb 0.04 -2.06 0.12 0.00 0.04 0.00 0.00 34.50 32.65 1uem s PRO 45 CO -0.02 -0.68 1.10 0.00 0.04 0.00 0.00 177.00 177.44 1uem s ALA 46 N -2.43 1.64 -0.01 8.56 0.00 -1.26 -4.19 121.76 124.07 1uem s ALA 46 Ca 0.63 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1uem s ALA 46 Cb -0.15 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1uem s ALA 46 CO 0.34 -2.37 -0.01 0.43 0.00 0.00 0.00 175.76 174.16 1uem n SER 47 N -3.93 2.44 -0.48 0.00 7.64 0.67 -4.88 113.62 115.07 1uem n SER 47 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1uem n SER 47 Cb 0.53 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1uem n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uem n ALA 48 N -2.71 0.00 -2.31 -0.43 0.00 -1.17 -4.98 120.51 108.89 1uem n ALA 48 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1uem n ALA 48 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1uem n ALA 48 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uem s TYR 49 N -4.32 1.54 0.16 0.00 1.51 0.59 -0.02 117.35 116.81 1uem s TYR 49 Ca 0.00 -0.69 0.07 0.00 -1.01 0.00 0.00 57.07 55.44 1uem s TYR 49 Cb 0.00 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1uem s TYR 49 CO 0.00 0.20 -0.16 0.42 -1.11 0.00 0.00 175.55 174.90 1uem s ILE 50 N -3.16 1.62 -0.04 2.71 1.01 0.68 -0.43 121.20 123.59 1uem s ILE 50 Ca 0.22 -1.92 0.06 0.00 0.00 0.00 0.00 60.65 59.00 1uem s ILE 50 Cb 0.02 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1uem s ILE 50 CO 0.05 -0.42 -0.22 -0.63 0.00 0.00 0.00 174.94 173.72 1uem s ILE 51 N -2.32 1.78 0.14 2.92 1.01 -0.43 -2.15 121.20 122.15 1uem s ILE 51 Ca 0.15 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1uem s ILE 51 Cb -0.04 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1uem s ILE 51 CO 0.05 0.50 0.01 -1.61 0.00 0.00 0.00 174.94 173.89 1uem s GLU 52 N -0.17 2.49 0.05 2.79 2.02 0.39 -0.56 118.70 125.71 1uem s GLU 52 Ca -0.01 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 53.99 1uem s GLU 52 Cb -0.12 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1uem s GLU 52 CO 0.02 0.49 -0.05 0.00 0.02 0.00 0.00 175.26 175.74 1uem s ALA 53 N -1.58 0.56 0.08 5.21 0.00 0.15 -0.37 121.76 125.82 1uem s ALA 53 Ca 0.27 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1uem s ALA 53 Cb -0.10 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1uem s ALA 53 CO 0.19 -0.22 -0.10 0.12 0.00 0.00 0.00 175.76 175.74 1uem s PHE 54 N -2.80 1.03 -0.19 0.00 2.19 -0.69 -1.09 117.98 116.43 1uem s PHE 54 Ca -0.00 -0.60 -0.13 0.00 0.33 0.00 0.00 56.93 56.53 1uem s PHE 54 Cb -0.00 -0.57 0.06 0.00 -1.31 0.00 0.00 43.02 41.19 1uem s PHE 54 CO -0.05 -0.00 0.47 0.45 1.83 0.00 0.00 175.22 177.93 1uem s SER 55 N -2.21 -0.57 0.46 6.13 0.15 -1.26 -0.78 113.70 115.63 1uem s SER 55 Ca 0.02 1.01 0.31 0.00 0.70 0.00 0.00 55.95 57.98 1uem s SER 55 Cb -0.05 0.93 1.24 0.00 -1.71 0.00 0.00 66.02 66.43 1uem s SER 55 CO 0.00 -0.19 1.90 -0.61 1.20 0.00 0.00 173.24 175.54 1uem h GLN 56 N 6.50 0.00 -0.13 5.44 4.15 -1.94 -0.56 115.11 128.57 1uem h GLN 56 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1uem h GLN 56 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1uem h GLN 56 CO 0.24 0.00 0.00 0.45 -1.93 0.00 0.00 178.83 177.59 1uem n SER 57 N -2.83 2.87 0.00 -0.69 2.88 -1.26 -3.82 113.62 110.76 1uem n SER 57 Ca 0.01 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1uem n SER 57 Cb 0.29 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1uem n SER 57 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uem n VAL 58 N 1.18 0.00 -0.17 2.46 0.31 -1.06 -4.95 118.33 116.10 1uem n VAL 58 Ca 0.13 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1uem n VAL 58 Cb 0.52 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1uem n VAL 58 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1uem n SER 59 N -1.32 0.22 -3.68 4.52 7.64 -1.17 -5.01 113.62 114.82 1uem n SER 59 Ca 0.00 -0.56 -0.22 0.00 1.01 0.00 0.00 58.87 59.10 1uem n SER 59 Cb 0.00 0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1uem n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uem n ASN 60 N -0.34 -2.34 -3.83 6.43 5.15 -0.24 -5.01 115.26 115.07 1uem n ASN 60 Ca 0.00 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.10 1uem n ASN 60 Cb 0.04 -4.31 -0.13 0.00 -0.53 0.00 0.00 39.78 34.85 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1uem s SER 61 N -4.11 -0.10 0.02 1.20 0.01 -1.26 -4.99 113.70 104.47 1uem s SER 61 Ca 0.16 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 1uem s SER 61 Cb -0.08 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 1uem s SER 61 CO 0.79 -0.04 1.08 0.26 0.41 0.00 0.00 173.24 175.74 1uem s TRP 62 N 0.12 3.54 0.12 2.43 0.52 -1.26 -4.13 118.94 120.28 1uem s TRP 62 Ca -0.01 1.51 0.07 0.00 0.02 0.00 0.00 56.10 57.70 1uem s TRP 62 Cb -0.01 -3.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1uem s TRP 62 CO -0.00 -0.58 -0.18 -0.65 0.02 0.00 0.00 176.95 175.56 1uem s GLN 63 N 1.12 1.12 0.20 4.98 -0.21 -0.25 -4.97 119.66 121.66 1uem s GLN 63 Ca 0.55 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 1uem s GLN 63 Cb -0.24 -1.21 -0.09 0.00 1.00 0.00 0.00 33.01 32.47 1uem s GLN 63 CO 0.28 0.26 1.26 0.99 -2.12 0.00 0.00 175.29 175.95 1uem s THR 64 N -1.64 3.33 0.00 -0.19 2.01 -1.26 -0.67 115.64 117.22 1uem s THR 64 Ca 0.09 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1uem s THR 64 Cb -0.08 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1uem s THR 64 CO 0.04 0.18 0.19 1.33 -0.69 0.00 0.00 174.62 175.67 1uem n VAL 65 N 2.41 0.00 -3.73 3.82 0.24 0.27 -4.87 118.33 116.48 1uem n VAL 65 Ca 0.05 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1uem n VAL 65 Cb 0.44 1.63 -0.10 0.00 -1.47 0.00 0.00 33.84 34.34 1uem n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uem s ALA 66 N -0.00 -1.04 -0.02 2.33 0.00 -0.79 -4.81 121.76 117.42 1uem s ALA 66 Ca 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1uem s ALA 66 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1uem s ALA 66 CO 0.00 -0.20 0.09 1.21 0.00 0.00 0.00 175.76 176.86 1uem s ASN 67 N 0.28 -0.03 -0.95 0.00 3.84 -1.26 -1.31 114.94 115.50 1uem s ASN 67 Ca -0.00 0.02 -0.21 0.00 0.21 0.00 0.00 52.86 52.87 1uem s ASN 67 Cb -0.03 0.20 0.03 0.00 -0.55 0.00 0.00 41.25 40.89 1uem s ASN 67 CO -0.00 -0.15 0.57 1.41 -2.79 0.00 0.00 177.10 176.14 1uem n HIS 68 N 2.46 -1.36 -3.06 0.43 8.25 -1.03 -4.97 115.22 115.94 1uem n HIS 68 Ca -0.16 0.25 -0.39 0.00 -0.26 0.00 0.00 57.72 57.15 1uem n HIS 68 Cb 0.58 -2.39 -0.05 0.00 1.12 0.00 0.00 29.99 29.25 1uem n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uem s VAL 69 N -3.45 4.85 -0.41 1.59 1.01 0.43 -4.81 120.40 119.60 1uem s VAL 69 Ca 0.30 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.80 1uem s VAL 69 Cb -0.17 -4.04 0.43 0.00 0.00 0.00 0.00 36.38 32.60 1uem s VAL 69 CO 0.83 0.36 1.21 0.29 0.00 0.00 0.00 175.10 177.79 1uem n LYS 70 N 2.96 3.45 -2.36 2.72 4.01 -1.26 -0.30 118.16 127.38 1uem n LYS 70 Ca -0.04 -4.30 -0.05 0.00 -0.51 0.00 0.00 58.31 53.42 1uem n LYS 70 Cb 0.51 -2.26 0.01 0.00 -0.51 0.00 0.00 35.03 32.77 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1uem n THR 71 N -0.58 0.00 -0.25 -0.18 5.66 -1.26 -5.07 114.28 112.60 1uem n THR 71 Ca 0.42 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1uem n THR 71 Cb 0.76 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 1uem n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1uem n THR 72 N -0.25 0.25 -5.03 1.09 -2.24 -1.26 -4.91 114.28 101.92 1uem n THR 72 Ca -0.03 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 1uem n THR 72 Cb 0.28 1.04 -0.17 0.00 -2.10 0.00 0.00 70.33 69.38 1uem n THR 72 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uem s LEU 73 N -0.25 1.96 0.01 3.22 1.43 -1.26 -1.41 118.68 122.38 1uem s LEU 73 Ca 0.00 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1uem s LEU 73 Cb 0.00 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1uem s LEU 73 CO 0.00 0.14 0.18 -0.47 0.23 0.00 0.00 176.35 176.43 1uem s TYR 74 N 0.30 0.01 -0.42 0.29 5.04 -0.51 -5.00 117.35 117.06 1uem s TYR 74 Ca -0.14 -0.10 -0.06 0.00 -2.44 0.00 0.00 57.07 54.33 1uem s TYR 74 Cb -0.16 -0.02 0.10 0.00 0.35 0.00 0.00 41.96 42.23 1uem s TYR 74 CO 0.06 -0.34 0.24 0.99 -1.34 0.00 0.00 175.55 175.16 1uem s THR 75 N -1.64 3.76 0.39 4.34 2.01 -1.26 -0.50 115.64 122.74 1uem s THR 75 Ca -0.12 -1.74 -0.27 0.00 0.31 0.00 0.00 61.69 59.87 1uem s THR 75 Cb -0.06 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1uem s THR 75 CO 0.01 -0.61 1.40 -0.69 -0.69 0.00 0.00 174.62 174.04 1uem s VAL 76 N 1.29 2.30 0.30 3.82 1.01 0.25 -4.89 120.40 124.48 1uem s VAL 76 Ca 0.05 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1uem s VAL 76 Cb -0.23 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1uem s VAL 76 CO -0.01 0.06 0.15 0.54 0.00 0.00 0.00 175.10 175.84 1uem n ARG 77 N 0.28 0.54 -1.43 2.72 1.74 -1.26 -1.26 116.66 117.99 1uem n ARG 77 Ca 0.02 -2.70 -0.08 0.00 -0.77 0.00 0.00 57.85 54.32 1uem n ARG 77 Cb 0.41 1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 33.54 1uem n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uem n GLY 78 N -0.28 0.81 0.72 -0.13 0.00 -0.77 -4.87 105.19 100.67 1uem n GLY 78 Ca -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 1uem n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uem n LEU 79 N -1.00 0.00 -4.44 0.99 4.77 -0.05 -5.07 117.00 112.21 1uem n LEU 79 Ca -0.09 -0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 55.21 1uem n LEU 79 Cb 0.34 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 1uem n LEU 79 CO 0.12 -0.60 -0.50 -0.13 -1.33 0.00 0.00 177.39 174.96 1uem s ARG 80 N -2.97 2.16 0.65 3.23 0.52 -1.26 -4.63 118.95 116.65 1uem s ARG 80 Ca 0.13 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 1uem s ARG 80 Cb -0.01 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1uem s ARG 80 CO 0.08 0.56 1.06 -1.25 0.02 0.00 0.00 175.30 175.77 1uem s PRO 81 N -1.15 3.08 -1.07 3.54 0.04 -0.72 -3.70 135.00 135.01 1uem s PRO 81 Ca 0.13 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.15 1uem s PRO 81 Cb -0.10 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1uem s PRO 81 CO 0.03 -0.99 0.34 -1.71 0.04 0.00 0.00 177.00 174.71 1uem n ASN 82 N -2.67 -2.95 -4.11 6.66 5.15 -1.21 -4.94 115.26 111.18 1uem n ASN 82 Ca 0.08 -0.25 -0.28 0.00 -0.60 0.00 0.00 54.58 53.54 1uem n ASN 82 Cb 0.53 -2.50 -0.17 0.00 -0.53 0.00 0.00 39.78 37.12 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1uem s THR 83 N -2.74 1.53 0.52 -0.44 2.01 -1.24 -4.93 115.64 110.33 1uem s THR 83 Ca 0.32 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 1uem s THR 83 Cb -0.18 -1.35 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1uem s THR 83 CO 0.40 0.44 1.05 -0.63 -0.69 0.00 0.00 174.62 175.18 1uem s ILE 84 N 0.49 3.79 0.27 1.82 -1.09 -1.26 -2.17 121.20 123.06 1uem s ILE 84 Ca -0.16 1.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.33 1uem s ILE 84 Cb -0.16 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1uem s ILE 84 CO 0.06 -0.31 0.07 -0.31 -1.23 0.00 0.00 174.94 173.21 1uem s TYR 85 N -2.11 1.67 0.22 3.97 1.51 -0.68 -4.61 117.35 117.32 1uem s TYR 85 Ca 0.66 -1.06 0.12 0.00 -1.01 0.00 0.00 57.07 55.77 1uem s TYR 85 Cb -0.16 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1uem s TYR 85 CO 0.25 -0.18 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.78 1uem s LEU 86 N -3.36 2.51 0.04 -1.29 1.43 0.04 -2.68 118.68 115.37 1uem s LEU 86 Ca 0.35 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1uem s LEU 86 Cb 0.08 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1uem s LEU 86 CO 0.13 0.09 -0.13 -0.36 0.23 0.00 0.00 176.35 176.31 1uem s PHE 87 N -1.96 1.13 -0.11 0.29 0.08 -1.26 -1.71 117.98 114.44 1uem s PHE 87 Ca 0.24 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 1uem s PHE 87 Cb -0.07 -0.67 0.06 0.00 -0.57 0.00 0.00 43.02 41.77 1uem s PHE 87 CO 0.12 0.02 0.17 -1.64 -0.10 0.00 0.00 175.22 173.80 1uem s MET 88 N -1.21 0.07 -0.38 0.44 -1.94 0.50 -1.88 119.30 114.89 1uem s MET 88 Ca -0.00 0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 54.28 1uem s MET 88 Cb -0.08 -0.49 0.01 0.00 2.01 0.00 0.00 34.83 36.28 1uem s MET 88 CO 0.01 -0.38 0.51 0.08 -0.01 0.00 0.00 175.02 175.24 1uem s VAL 89 N 2.30 5.00 -0.12 -6.03 1.01 -1.26 -0.47 120.40 120.83 1uem s VAL 89 Ca 0.03 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1uem s VAL 89 Cb -0.13 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1uem s VAL 89 CO -0.07 -0.34 0.22 -0.13 0.00 0.00 0.00 175.10 174.79 1uem s ARG 90 N 2.40 3.88 0.64 2.72 0.52 -0.91 -3.87 118.95 124.32 1uem s ARG 90 Ca 0.17 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.33 1uem s ARG 90 Cb -0.16 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.04 1uem s ARG 90 CO 0.14 0.53 0.95 0.00 0.02 0.00 0.00 175.30 176.95 1uem s ALA 91 N -0.39 3.24 0.10 2.13 0.00 -1.26 -0.23 121.76 125.35 1uem s ALA 91 Ca 0.16 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1uem s ALA 91 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1uem s ALA 91 CO 0.04 -1.00 -0.17 0.42 0.00 0.00 0.00 175.76 175.05 1uem s ILE 92 N -3.10 1.46 0.33 0.00 1.01 0.97 -0.44 121.20 121.43 1uem s ILE 92 Ca 0.56 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1uem s ILE 92 Cb -0.11 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1uem s ILE 92 CO 0.45 -0.22 0.40 0.54 0.00 0.00 0.00 174.94 176.11 1uem s ASN 93 N -2.06 1.15 0.00 3.58 4.22 -0.77 -0.24 114.94 120.83 1uem s ASN 93 Ca 0.05 -1.58 0.00 0.00 -2.14 0.00 0.00 52.86 49.20 1uem s ASN 93 Cb -0.08 0.62 0.01 0.00 1.28 0.00 0.00 41.25 43.07 1uem s ASN 93 CO 0.04 -1.20 1.00 -2.65 -2.04 0.00 0.00 177.10 172.24 1uem n PRO 94 N -0.57 0.00 -0.04 3.55 -0.02 -1.26 -3.35 135.00 133.31 1uem n PRO 94 Ca 0.03 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1uem n PRO 94 Cb 0.62 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1uem n GLN 95 N -1.50 2.13 0.00 -0.52 1.13 -1.26 -5.13 117.38 112.23 1uem n GLN 95 Ca -0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1uem n GLN 95 Cb 0.01 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uem n GLY 96 N 2.71 0.86 3.81 1.08 0.00 -1.21 -5.12 105.19 107.32 1uem n GLY 96 Ca -0.13 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1uem n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 97 N 0.00 3.96 0.88 0.99 1.02 -1.26 -1.84 118.68 122.43 1uem s LEU 97 Ca 0.00 0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.11 1uem s LEU 97 Cb 0.00 -2.58 0.12 0.00 0.02 0.00 0.00 46.19 43.75 1uem s LEU 97 CO 0.00 0.18 1.10 -0.94 0.02 0.00 0.00 176.35 176.71 1uem s SER 98 N -2.35 3.68 0.39 2.29 1.04 0.42 -4.84 113.70 114.32 1uem s SER 98 Ca 0.30 1.31 -0.21 0.00 0.48 0.00 0.00 55.95 57.84 1uem s SER 98 Cb -0.12 -2.00 -0.15 0.00 0.10 0.00 0.00 66.02 63.85 1uem s SER 98 CO 0.23 -2.48 0.09 0.47 0.98 0.00 0.00 173.24 172.53 1uem n ASP 99 N -3.76 -2.75 -4.57 7.02 9.92 -1.26 -4.45 116.55 116.69 1uem n ASP 99 Ca 0.07 0.79 -0.40 0.00 -0.53 0.00 0.00 54.79 54.72 1uem n ASP 99 Cb 0.56 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1uem s PRO 100 N -0.97 2.78 1.05 -0.24 0.04 -1.26 -4.72 135.00 131.68 1uem s PRO 100 Ca 0.57 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 1uem s PRO 100 Cb -0.62 -4.39 0.01 0.00 0.04 0.00 0.00 34.50 29.54 1uem s PRO 100 CO 0.61 -2.51 -0.28 -1.13 0.04 0.00 0.00 177.00 173.73 1uem n SER 101 N 12.74 -2.76 -4.65 6.66 3.41 -1.25 -4.96 113.62 122.81 1uem n SER 101 Ca 0.28 0.02 -0.45 0.00 -0.26 0.00 0.00 58.87 58.46 1uem n SER 101 Cb 0.50 -0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 1uem n SER 101 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1uem n PRO 102 N -0.73 1.87 -0.83 4.33 -0.02 -1.26 -4.89 135.00 133.46 1uem n PRO 102 Ca 0.01 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1uem n PRO 102 Cb 0.63 -2.27 0.17 0.00 -0.02 0.00 0.00 33.50 32.01 1uem n PRO 102 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1uem s MET 103 N -0.65 0.72 0.00 -0.52 -1.94 -1.26 -4.49 119.30 111.16 1uem s MET 103 Ca 0.67 1.17 0.09 0.00 -1.71 0.00 0.00 55.69 55.91 1uem s MET 103 Cb -0.67 -1.72 0.51 0.00 2.01 0.00 0.00 34.83 34.96 1uem s MET 103 CO 0.52 -2.71 1.04 -1.13 -0.01 0.00 0.00 175.02 172.73 1uem n SER 104 N -4.25 0.00 -1.43 3.03 3.41 -0.79 -4.63 113.62 108.96 1uem n SER 104 Ca 0.08 -0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.63 1uem n SER 104 Cb 0.53 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1uem n SER 104 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uem n ASP 105 N -1.09 -7.74 -4.55 4.04 -0.08 -1.26 -4.74 116.55 101.13 1uem n ASP 105 Ca 0.06 1.59 -0.37 0.00 -1.51 0.00 0.00 54.79 54.56 1uem n ASP 105 Cb 0.04 -4.76 -0.03 0.00 2.34 0.00 0.00 41.12 38.71 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1uem s PRO 106 N -4.80 2.63 -0.06 -0.67 0.04 -1.26 -4.75 135.00 126.12 1uem s PRO 106 Ca 0.00 0.48 -0.06 0.00 0.04 0.00 0.00 61.00 61.46 1uem s PRO 106 Cb 0.00 -4.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1uem s PRO 106 CO 0.00 -2.81 0.19 0.14 0.04 0.00 0.00 177.00 174.56 1uem s VAL 107 N 9.15 5.43 0.15 -0.36 -7.23 -1.09 -4.87 120.40 121.58 1uem s VAL 107 Ca 0.67 0.13 -0.09 0.00 -1.81 0.00 0.00 61.98 60.88 1uem s VAL 107 Cb -0.12 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 33.28 1uem s VAL 107 CO 0.18 0.49 0.46 -0.60 -0.31 0.00 0.00 175.10 175.31 1uem s ARG 108 N -1.42 3.76 0.48 4.82 3.52 -1.26 -1.68 118.95 127.16 1uem s ARG 108 Ca 0.21 0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.79 1uem s ARG 108 Cb -0.13 -2.84 -0.09 0.00 -1.56 0.00 0.00 34.95 30.33 1uem s ARG 108 CO 0.11 0.45 0.98 0.95 -0.81 0.00 0.00 175.30 176.97 1uem s THR 109 N -1.61 4.37 0.00 4.11 -4.23 -0.92 -4.99 115.64 112.37 1uem s THR 109 Ca 0.40 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 1uem s THR 109 Cb -0.13 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1uem s THR 109 CO 0.21 -0.47 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 1uem n GLN 110 N -1.11 0.00 -3.61 3.99 6.02 -1.26 -3.33 117.38 118.07 1uem n GLN 110 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1uem n GLN 110 Cb 0.54 -0.10 -0.03 0.00 1.02 0.00 0.00 30.24 31.66 1uem n GLN 110 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1uem s ASP 111 N -1.96 -0.14 -0.13 1.08 2.15 -1.26 -3.84 116.67 112.58 1uem s ASP 111 Ca 0.00 0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.22 1uem s ASP 111 Cb 0.00 0.13 0.45 0.00 -0.30 0.00 0.00 42.92 43.20 1uem s ASP 111 CO 0.00 -0.17 1.36 -0.24 -0.17 0.00 0.00 175.17 175.95 1uem n SER 112 N 0.30 3.54 0.00 -0.34 2.88 -1.26 -4.59 113.62 114.15 1uem n SER 112 Ca -0.02 -2.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1uem n SER 112 Cb 0.58 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1uem n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uem n GLY 113 N -0.32 -2.05 3.75 0.46 0.00 -1.26 -4.82 105.19 100.96 1uem n GLY 113 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1uem n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uem s PRO 114 N -1.75 3.19 -0.03 1.61 0.04 -1.26 -5.04 135.00 131.76 1uem s PRO 114 Ca 0.00 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 1uem s PRO 114 Cb 0.00 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1uem s PRO 114 CO 0.00 -1.07 0.09 -1.12 0.04 0.00 0.00 177.00 174.94 1uem s SER 115 N -1.31 -0.08 -0.38 6.66 0.01 -1.26 -5.07 113.70 112.27 1uem s SER 115 Ca 0.73 0.15 0.05 0.00 1.31 0.00 0.00 55.95 58.18 1uem s SER 115 Cb -0.34 0.18 0.16 0.00 0.21 0.00 0.00 66.02 66.24 1uem s SER 115 CO 0.39 -0.05 0.46 -0.55 0.41 0.00 0.00 173.24 173.89 1uem s SER 116 N -0.04 0.30 0.00 2.44 0.15 -1.26 -5.27 113.70 110.02 1uem s SER 116 Ca -0.01 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1uem s SER 116 Cb -0.01 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1uem s SER 116 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82