#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkw s SER 7 N 0.00 5.69 0.70 1.69 1.04 -0.81 -4.63 113.70 117.37 3gkw s SER 7 Ca 0.00 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3gkw s SER 7 Cb 0.00 -1.76 0.12 0.00 0.10 0.00 0.00 66.02 64.48 3gkw s SER 7 CO 0.00 -0.99 0.96 -0.83 0.98 0.00 0.00 173.24 173.37 3gkw s GLY 8 N -4.28 1.76 -0.29 7.32 0.00 0.14 -4.97 107.32 107.01 3gkw s GLY 8 Ca 0.53 -1.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 3gkw s GLY 8 CO 0.45 -1.21 0.63 0.00 0.00 0.00 0.00 173.10 172.96 3gkw s ALA 9 N -3.08 -1.98 0.08 3.20 0.00 -1.26 -1.59 121.76 117.13 3gkw s ALA 9 Ca 0.65 2.26 0.03 0.00 0.00 0.00 0.00 51.96 54.90 3gkw s ALA 9 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3gkw s ALA 9 CO 0.44 -0.93 -0.10 -1.21 0.00 0.00 0.00 175.76 173.95 3gkw s GLU 10 N 2.87 0.77 -0.08 0.00 0.41 -0.69 -4.59 118.70 117.38 3gkw s GLU 10 Ca -0.05 -1.05 0.02 0.00 -0.41 0.00 0.00 54.97 53.49 3gkw s GLU 10 Cb -0.12 -0.49 -0.02 0.00 -1.78 0.00 0.00 34.13 31.71 3gkw s GLU 10 CO -0.19 0.08 -0.12 0.54 -0.49 0.00 0.00 175.26 175.08 3gkw s VAL 11 N -2.11 3.18 0.01 2.63 0.11 -1.26 -0.58 120.40 122.39 3gkw s VAL 11 Ca 0.01 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 3gkw s VAL 11 Cb -0.05 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 3gkw s VAL 11 CO 0.00 0.57 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.72 3gkw s LYS 12 N -0.35 0.57 0.35 1.54 -0.14 0.18 -4.93 119.74 116.96 3gkw s LYS 12 Ca 0.04 -0.45 -0.25 0.00 -1.36 0.00 0.00 55.97 53.94 3gkw s LYS 12 Cb -0.13 -0.49 -0.10 0.00 -1.68 0.00 0.00 37.83 35.43 3gkw s LYS 12 CO 0.02 0.12 0.96 0.15 -0.76 0.00 0.00 175.35 175.85 3gkw s LYS 13 N -0.70 4.47 0.09 1.68 1.02 -1.25 -0.31 119.74 124.74 3gkw s LYS 13 Ca -0.01 1.32 -0.36 0.00 0.02 0.00 0.00 55.97 56.94 3gkw s LYS 13 Cb -0.05 -2.67 -0.16 0.00 -0.52 0.00 0.00 37.83 34.43 3gkw s LYS 13 CO 0.00 0.17 1.42 -0.35 -0.92 0.00 0.00 175.35 175.67 3gkw n PRO 14 N 0.28 1.41 0.00 -1.68 -0.04 -1.26 -1.84 135.00 131.87 3gkw n PRO 14 Ca 0.03 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3gkw n PRO 14 Cb 0.51 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3gkw n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gkw n GLY 15 N 2.82 2.97 0.60 0.55 0.00 0.10 -4.92 105.19 107.31 3gkw n GLY 15 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3gkw n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gkw n SER 16 N 0.00 0.11 -4.36 1.61 3.41 -0.76 -3.74 113.62 109.88 3gkw n SER 16 Ca 0.00 -1.13 -0.24 0.00 -0.26 0.00 0.00 58.87 57.24 3gkw n SER 16 Cb 0.00 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 3gkw n SER 16 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gkw s SER 17 N -1.69 2.98 0.03 4.04 1.04 -1.26 -0.18 113.70 118.65 3gkw s SER 17 Ca 0.11 -0.84 0.08 0.00 0.48 0.00 0.00 55.95 55.78 3gkw s SER 17 Cb -0.00 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 3gkw s SER 17 CO 0.08 0.04 -0.23 0.54 0.98 0.00 0.00 173.24 174.65 3gkw s VAL 18 N -1.76 1.84 -0.10 5.02 0.11 0.12 -4.97 120.40 120.65 3gkw s VAL 18 Ca 0.16 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 3gkw s VAL 18 Cb -0.07 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 3gkw s VAL 18 CO 0.08 0.34 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.27 3gkw s LYS 19 N -1.02 2.33 0.01 1.54 2.20 -1.26 -0.62 119.74 122.93 3gkw s LYS 19 Ca 0.09 -0.61 0.09 0.00 -0.36 0.00 0.00 55.97 55.18 3gkw s LYS 19 Cb -0.09 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3gkw s LYS 19 CO 0.01 -0.00 -0.26 0.08 -0.36 0.00 0.00 175.35 174.82 3gkw s VAL 20 N 0.81 2.07 0.27 4.02 1.01 -0.16 -4.99 120.40 123.44 3gkw s VAL 20 Ca -0.10 -1.24 0.11 0.00 0.00 0.00 0.00 61.98 60.75 3gkw s VAL 20 Cb -0.16 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3gkw s VAL 20 CO 0.01 0.47 -0.09 -0.94 0.00 0.00 0.00 175.10 174.55 3gkw s SER 21 N -0.92 4.15 -0.13 3.32 1.04 -1.26 -1.96 113.70 117.93 3gkw s SER 21 Ca 0.11 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 3gkw s SER 21 Cb -0.10 -0.62 0.04 0.00 0.10 0.00 0.00 66.02 65.45 3gkw s SER 21 CO 0.01 0.02 0.03 0.00 0.98 0.00 0.00 173.24 174.28 3gkw s LYS 23 N 1.98 4.41 0.00 0.00 1.02 -1.26 -0.90 119.74 124.98 3gkw s LYS 23 Ca 0.02 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.00 3gkw s LYS 23 Cb -0.15 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 3gkw s LYS 23 CO -0.07 -0.07 0.00 0.00 -0.92 0.00 0.00 175.35 174.29 3gkw n ALA 24 N 4.25 0.00 -2.53 5.17 0.00 -0.81 -5.02 120.51 121.57 3gkw n ALA 24 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 3gkw n ALA 24 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 3gkw n ALA 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gkw s SER 25 N -0.19 4.14 0.27 0.00 1.04 -1.26 -4.83 113.70 112.88 3gkw s SER 25 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 3gkw s SER 25 Cb 0.00 -0.45 0.62 0.00 0.10 0.00 0.00 66.02 66.29 3gkw s SER 25 CO 0.00 -0.43 1.69 1.23 0.98 0.00 0.00 173.24 176.71 3gkw h GLY 26 N 1.65 1.32 1.38 7.32 0.00 -1.95 -0.49 103.07 112.31 3gkw h GLY 26 Ca -0.43 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 3gkw h GLY 26 CO 0.73 -0.24 -0.38 -1.82 0.00 0.00 0.00 176.54 174.83 3gkw h TYR 27 N 0.34 0.81 -0.14 5.60 3.20 -1.99 -2.53 116.97 122.26 3gkw h TYR 27 Ca 0.50 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3gkw h TYR 27 Cb 0.92 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3gkw h TYR 27 CO -0.20 0.96 0.07 1.15 -1.64 0.00 0.00 178.16 178.50 3gkw h THR 28 N 0.56 1.10 0.00 1.81 2.02 -1.73 -2.00 112.91 114.68 3gkw h THR 28 Ca 0.05 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3gkw h THR 28 Cb 0.90 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3gkw h THR 28 CO 0.08 0.10 -0.02 -0.26 0.37 0.00 0.00 175.52 175.79 3gkw h PHE 29 N 0.12 0.00 0.02 3.16 -1.00 -0.92 -1.74 116.94 116.57 3gkw h PHE 29 Ca 0.05 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.53 3gkw h PHE 29 Cb 0.09 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.60 3gkw h PHE 29 CO -0.04 0.02 -1.77 2.41 -1.61 0.00 0.00 178.31 177.32 3gkw n THR 30 N -3.23 1.63 0.00 -1.55 -1.04 -0.97 -4.00 114.28 105.12 3gkw n THR 30 Ca -0.02 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 3gkw n THR 30 Cb 0.15 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 3gkw n THR 30 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gkw n ASN 31 N -3.09 1.08 -4.31 8.00 3.02 -0.77 -4.92 115.26 114.26 3gkw n ASN 31 Ca -0.19 -0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 53.77 3gkw n ASN 31 Cb 1.05 1.00 -0.11 0.00 -0.61 0.00 0.00 39.78 41.12 3gkw n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gkw s TYR 32 N -1.21 1.67 0.01 3.10 1.51 -0.68 -0.22 117.35 121.53 3gkw s TYR 32 Ca 0.00 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.33 3gkw s TYR 32 Cb 0.00 -0.82 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 3gkw s TYR 32 CO 0.00 0.29 0.57 -0.47 -1.11 0.00 0.00 175.55 174.82 3gkw s TYR 33 N -2.40 3.70 -0.15 2.71 6.14 0.16 -4.51 117.35 123.00 3gkw s TYR 33 Ca 0.16 1.18 -0.02 0.00 0.64 0.00 0.00 57.07 59.03 3gkw s TYR 33 Cb -0.04 -2.55 -0.02 0.00 0.42 0.00 0.00 41.96 39.77 3gkw s TYR 33 CO 0.06 0.42 -0.09 0.42 0.64 0.00 0.00 175.55 177.00 3gkw s ILE 34 N -0.41 3.39 0.05 3.14 1.01 -1.02 -1.25 121.20 126.10 3gkw s ILE 34 Ca 0.30 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 3gkw s ILE 34 Cb -0.18 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3gkw s ILE 34 CO 0.17 0.50 0.12 -0.72 0.00 0.00 0.00 174.94 175.01 3gkw s TYR 35 N 0.50 0.19 -0.12 3.97 -0.85 0.10 -1.11 117.35 120.03 3gkw s TYR 35 Ca -0.06 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 55.93 3gkw s TYR 35 Cb -0.15 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 3gkw s TYR 35 CO 0.04 -0.41 0.01 -1.58 -1.52 0.00 0.00 175.55 172.09 3gkw s TRP 36 N -2.90 3.17 0.11 -3.49 0.52 0.27 -0.01 118.94 116.61 3gkw s TRP 36 Ca -0.02 0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.23 3gkw s TRP 36 Cb 0.01 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 3gkw s TRP 36 CO -0.06 0.30 -0.15 0.08 0.02 0.00 0.00 176.95 177.15 3gkw s VAL 37 N -0.35 1.35 0.12 4.03 1.01 0.02 -1.68 120.40 124.91 3gkw s VAL 37 Ca 0.07 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.43 3gkw s VAL 37 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3gkw s VAL 37 CO 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 175.10 174.70 3gkw s ARG 38 N -2.47 0.92 -0.27 2.72 1.70 -0.43 -1.66 118.95 119.46 3gkw s ARG 38 Ca 0.07 -1.39 -0.02 0.00 -0.47 0.00 0.00 55.73 53.92 3gkw s ARG 38 Cb -0.06 -0.30 0.12 0.00 -0.57 0.00 0.00 34.95 34.13 3gkw s ARG 38 CO 0.03 -0.02 0.24 -1.14 -1.08 0.00 0.00 175.30 173.33 3gkw s GLN 39 N -3.83 0.26 0.65 3.89 0.74 -0.63 -0.63 119.66 120.12 3gkw s GLN 39 Ca 0.15 -0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 3gkw s GLN 39 Cb 0.05 -0.91 -0.00 0.00 1.10 0.00 0.00 33.01 33.25 3gkw s GLN 39 CO -0.02 -0.94 1.17 0.00 -0.55 0.00 0.00 175.29 174.94 3gkw s ALA 40 N 2.29 2.40 -0.34 1.58 0.00 -1.26 -2.14 121.76 124.28 3gkw s ALA 40 Ca 0.09 0.81 -0.40 0.00 0.00 0.00 0.00 51.96 52.45 3gkw s ALA 40 Cb -0.15 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 3gkw s ALA 40 CO -0.29 -1.39 1.90 -2.30 0.00 0.00 0.00 175.76 173.68 3gkw n PRO 41 N -2.18 0.93 0.00 0.00 -0.02 -1.26 -1.32 135.00 131.14 3gkw n PRO 41 Ca 0.12 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3gkw n PRO 41 Cb 0.51 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3gkw n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gkw n GLY 42 N 5.20 2.74 0.00 -1.23 0.00 -1.26 -4.98 105.19 105.65 3gkw n GLY 42 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3gkw n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gkw n GLN 43 N -2.00 2.80 -3.40 1.61 1.13 -0.43 -5.14 117.38 111.95 3gkw n GLN 43 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 3gkw n GLN 43 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3gkw n GLN 43 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3gkw s GLY 44 N -0.81 2.05 0.12 1.08 0.00 -1.26 -4.80 107.32 103.69 3gkw s GLY 44 Ca 0.00 -1.78 -0.27 0.00 0.00 0.00 0.00 44.72 42.67 3gkw s GLY 44 CO 0.00 -1.71 0.84 1.08 0.00 0.00 0.00 173.10 173.32 3gkw s LEU 45 N -4.33 4.53 -0.08 0.66 1.43 -1.26 -4.22 118.68 115.40 3gkw s LEU 45 Ca 0.50 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 3gkw s LEU 45 Cb -0.05 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.80 3gkw s LEU 45 CO 0.30 0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 176.15 3gkw s GLU 46 N -0.46 1.49 -0.19 1.70 2.12 0.20 -4.98 118.70 118.57 3gkw s GLU 46 Ca 0.40 -0.29 -0.26 0.00 0.36 0.00 0.00 54.97 55.18 3gkw s GLU 46 Cb -0.23 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 3gkw s GLU 46 CO 0.27 -0.12 0.87 -0.46 -0.54 0.00 0.00 175.26 175.28 3gkw s TRP 47 N 1.18 3.39 -0.22 5.30 -0.00 -1.26 -1.32 118.94 126.00 3gkw s TRP 47 Ca -0.05 1.28 -0.19 0.00 -0.00 0.00 0.00 56.10 57.13 3gkw s TRP 47 Cb -0.14 -3.07 -0.18 0.00 -0.00 0.00 0.00 33.47 30.08 3gkw s TRP 47 CO -0.02 -0.32 0.08 -0.89 -0.00 0.00 0.00 176.95 175.80 3gkw n ILE 48 N 4.95 1.54 0.00 5.86 5.41 -0.67 -4.55 119.36 131.90 3gkw n ILE 48 Ca 0.06 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3gkw n ILE 48 Cb 0.48 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 3gkw n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gkw n GLY 49 N 1.41 1.70 3.50 7.39 0.00 -1.23 -1.01 105.19 116.95 3gkw n GLY 49 Ca -0.38 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 3gkw n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gkw s GLY 50 N 0.00 1.24 -0.04 -0.02 0.00 0.39 -0.56 107.32 108.32 3gkw s GLY 50 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 3gkw s GLY 50 CO 0.00 -0.92 0.11 -1.50 0.00 0.00 0.00 173.10 170.79 3gkw s ILE 51 N -3.31 -0.01 -0.38 0.90 2.07 -0.26 -0.66 121.20 119.54 3gkw s ILE 51 Ca 0.29 0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 59.33 3gkw s ILE 51 Cb -0.00 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.44 3gkw s ILE 51 CO 0.17 0.02 0.87 0.21 -1.91 0.00 0.00 174.94 174.30 3gkw s ASN 52 N 0.35 6.60 0.00 4.50 3.84 -0.30 -2.43 114.94 127.49 3gkw s ASN 52 Ca -0.02 0.41 0.22 0.00 0.21 0.00 0.00 52.86 53.68 3gkw s ASN 52 Cb -0.04 -2.43 1.01 0.00 -0.55 0.00 0.00 41.25 39.24 3gkw s ASN 52 CO -0.01 -0.84 1.71 -0.81 -2.79 0.00 0.00 177.10 174.36 3gkw n PRO 52 N 6.69 0.12 -0.08 0.43 -0.04 -1.26 0.85 135.00 141.72 3gkw n PRO 52 Ca 0.05 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 3gkw n PRO 52 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 3gkw n PRO 52 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gkw h THR 53 N 0.00 1.39 -0.21 0.52 2.02 -1.90 -3.39 112.91 111.34 3gkw h THR 53 Ca 0.00 -2.17 -0.18 0.00 0.77 0.00 0.00 66.41 64.83 3gkw h THR 53 Cb 0.31 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 3gkw h THR 53 CO 0.00 0.47 -0.58 0.28 0.37 0.00 0.00 175.52 176.06 3gkw h SER 54 N -1.00 0.76 0.00 4.18 0.02 -1.90 -3.48 113.55 112.14 3gkw h SER 54 Ca -0.09 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3gkw h SER 54 Cb 1.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3gkw h SER 54 CO -0.06 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 3gkw n GLY 55 N 0.36 2.44 3.74 -3.77 0.00 0.25 -5.03 105.19 103.18 3gkw n GLY 55 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3gkw n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gkw s GLY 56 N -2.00 3.02 0.47 -0.02 0.00 -1.25 -4.82 107.32 102.73 3gkw s GLY 56 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.41 3gkw s GLY 56 CO 0.00 1.40 0.03 -1.35 0.00 0.00 0.00 173.10 173.18 3gkw s SER 57 N -0.53 3.77 -0.15 1.64 1.04 -1.26 -1.15 113.70 117.06 3gkw s SER 57 Ca 0.45 -1.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 3gkw s SER 57 Cb -0.26 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.30 3gkw s SER 57 CO 0.33 -0.81 0.47 0.20 0.98 0.00 0.00 173.24 174.40 3gkw s ASN 58 N -3.79 -0.47 0.12 7.02 0.01 0.16 -4.96 114.94 113.03 3gkw s ASN 58 Ca 0.14 0.84 0.06 0.00 -0.71 0.00 0.00 52.86 53.19 3gkw s ASN 58 Cb 0.03 0.87 -0.04 0.00 0.41 0.00 0.00 41.25 42.52 3gkw s ASN 58 CO 0.07 -0.23 -0.15 -0.36 -1.51 0.00 0.00 177.10 174.93 3gkw s PHE 59 N -0.04 1.46 0.08 2.20 0.40 -1.26 -0.46 117.98 120.37 3gkw s PHE 59 Ca -0.02 -0.53 -0.31 0.00 -0.60 0.00 0.00 56.93 55.46 3gkw s PHE 59 Cb -0.03 -0.76 -0.07 0.00 0.51 0.00 0.00 43.02 42.66 3gkw s PHE 59 CO 0.02 0.17 1.42 1.21 0.70 0.00 0.00 175.22 178.73 3gkw s ASN 60 N -2.42 6.81 0.30 1.36 3.84 -0.18 -4.92 114.94 119.72 3gkw s ASN 60 Ca 0.09 2.29 0.06 0.00 0.21 0.00 0.00 52.86 55.51 3gkw s ASN 60 Cb -0.05 -2.58 0.79 0.00 -0.55 0.00 0.00 41.25 38.86 3gkw s ASN 60 CO 0.03 -0.69 1.70 -0.08 -2.79 0.00 0.00 177.10 175.27 3gkw h GLU 61 N 7.20 0.42 -1.00 0.43 4.57 -1.94 0.19 114.58 124.46 3gkw h GLU 61 Ca -0.41 -0.03 0.29 0.00 -1.18 0.00 0.00 59.36 58.03 3gkw h GLU 61 Cb 1.20 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 3gkw h GLU 61 CO 0.88 0.28 0.71 -0.22 -1.18 0.00 0.00 179.01 179.48 3gkw h LYS 62 N 0.44 0.03 -0.01 1.92 3.64 -1.96 -2.37 116.57 118.25 3gkw h LYS 62 Ca 0.59 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3gkw h LYS 62 Cb 1.14 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3gkw h LYS 62 CO -0.52 0.02 -0.02 1.19 -2.27 0.00 0.00 179.45 177.85 3gkw n PHE 63 N -4.26 0.00 -0.27 1.91 3.01 0.53 -4.75 117.46 113.62 3gkw n PHE 63 Ca 0.21 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.71 3gkw n PHE 63 Cb 1.04 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.61 3gkw n PHE 63 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3gkw n LYS 64 N 0.31 -0.07 -0.13 -1.08 4.81 -0.49 -1.81 118.16 119.71 3gkw n LYS 64 Ca 0.04 1.18 0.12 0.00 -0.87 0.00 0.00 58.31 58.77 3gkw n LYS 64 Cb 0.18 -1.76 0.26 0.00 0.02 0.00 0.00 35.03 33.74 3gkw n LYS 64 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3gkw n THR 65 N -5.22 0.33 -0.71 3.15 -2.24 -1.26 -4.43 114.28 103.90 3gkw n THR 65 Ca 0.12 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gkw n THR 65 Cb 0.37 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3gkw n THR 65 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3gkw n ARG 66 N 1.06 0.00 -5.12 -0.78 1.85 -0.79 -5.03 116.66 107.85 3gkw n ARG 66 Ca 0.18 -0.31 -0.29 0.00 -1.00 0.00 0.00 57.85 56.43 3gkw n ARG 66 Cb 0.51 -0.64 -0.16 0.00 -1.05 0.00 0.00 32.46 31.11 3gkw n ARG 66 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3gkw s VAL 67 N -0.07 1.81 0.08 8.89 1.01 -0.75 -4.20 120.40 127.16 3gkw s VAL 67 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.12 3gkw s VAL 67 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3gkw s VAL 67 CO 0.00 0.51 -0.26 0.42 0.00 0.00 0.00 175.10 175.77 3gkw s THR 68 N -0.34 2.16 -0.06 3.92 -4.23 -0.66 -4.88 115.64 111.55 3gkw s THR 68 Ca 0.03 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3gkw s THR 68 Cb -0.11 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.87 3gkw s THR 68 CO 0.01 0.25 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.58 3gkw s ILE 69 N -0.90 1.23 0.32 2.99 1.01 -1.26 -0.71 121.20 123.87 3gkw s ILE 69 Ca 0.12 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3gkw s ILE 69 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3gkw s ILE 69 CO 0.04 0.37 0.21 0.42 0.00 0.00 0.00 174.94 175.98 3gkw s THR 70 N 0.53 0.14 -0.23 2.92 -4.23 -0.23 -4.96 115.64 109.58 3gkw s THR 70 Ca -0.13 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 3gkw s THR 70 Cb -0.15 -2.48 0.08 0.00 1.34 0.00 0.00 72.50 71.29 3gkw s THR 70 CO 0.04 0.00 0.54 0.00 -0.54 0.00 0.00 174.62 174.66 3gkw s ALA 71 N -3.55 -1.50 -0.34 3.99 0.00 -1.26 0.06 121.76 119.15 3gkw s ALA 71 Ca 0.37 1.95 -0.12 0.00 0.00 0.00 0.00 51.96 54.16 3gkw s ALA 71 Cb 0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 3gkw s ALA 71 CO 0.22 -0.51 0.21 0.34 0.00 0.00 0.00 175.76 176.02 3gkw s ASP 72 N 1.98 5.88 0.02 0.00 2.15 0.11 -4.98 116.67 121.83 3gkw s ASP 72 Ca -0.08 -0.54 -0.25 0.00 0.43 0.00 0.00 52.55 52.12 3gkw s ASP 72 Cb -0.09 -2.09 -0.18 0.00 -0.30 0.00 0.00 42.92 40.27 3gkw s ASP 72 CO -0.16 -0.25 1.45 -0.33 -0.17 0.00 0.00 175.17 175.71 3gkw h GLU 73 N 8.45 -0.04 -0.28 4.34 5.08 -1.94 0.11 114.58 130.31 3gkw h GLU 73 Ca -0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 3gkw h GLU 73 Cb 1.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3gkw h GLU 73 CO 0.64 0.25 -0.20 0.66 -1.00 0.00 0.00 179.01 179.36 3gkw h SER 74 N -0.32 0.51 -0.30 1.42 4.64 -1.97 -2.28 113.55 115.26 3gkw h SER 74 Ca -0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3gkw h SER 74 Cb 0.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3gkw h SER 74 CO 0.01 0.72 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 3gkw n SER 75 N -4.15 3.28 -3.93 4.97 3.41 -1.23 -5.00 113.62 110.98 3gkw n SER 75 Ca 0.00 -1.98 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 3gkw n SER 75 Cb 0.37 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 3gkw n SER 75 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gkw n THR 76 N 1.41 -2.18 -4.60 6.66 -2.24 0.36 -4.81 114.28 108.88 3gkw n THR 76 Ca 0.18 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 3gkw n THR 76 Cb 0.60 -1.88 -0.14 0.00 -2.10 0.00 0.00 70.33 66.81 3gkw n THR 76 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gkw s THR 77 N -3.61 1.58 0.11 4.28 2.01 -1.08 -1.92 115.64 117.01 3gkw s THR 77 Ca 0.32 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 61.24 3gkw s THR 77 Cb -0.18 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3gkw s THR 77 CO 0.77 0.18 -0.23 0.00 -0.69 0.00 0.00 174.62 174.65 3gkw s ALA 78 N -0.81 1.98 0.06 7.40 0.00 -0.08 0.08 121.76 130.39 3gkw s ALA 78 Ca 0.07 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3gkw s ALA 78 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3gkw s ALA 78 CO 0.02 0.41 -0.07 0.71 0.00 0.00 0.00 175.76 176.82 3gkw s TYR 79 N -1.16 0.75 -0.02 0.00 2.02 0.11 -0.72 117.35 118.32 3gkw s TYR 79 Ca 0.09 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3gkw s TYR 79 Cb -0.10 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 3gkw s TYR 79 CO 0.05 -0.11 0.04 1.41 -1.57 0.00 0.00 175.55 175.37 3gkw s MET 80 N -2.42 -0.00 -0.10 -0.62 -2.45 -0.83 -1.07 119.30 111.81 3gkw s MET 80 Ca -0.02 0.15 -0.01 0.00 -1.25 0.00 0.00 55.69 54.56 3gkw s MET 80 Cb -0.04 -0.15 0.03 0.00 1.25 0.00 0.00 34.83 35.92 3gkw s MET 80 CO -0.02 -0.11 -0.03 -2.00 1.05 0.00 0.00 175.02 173.91 3gkw s GLU 81 N 0.71 1.05 0.44 4.11 2.12 0.11 -0.99 118.70 126.26 3gkw s GLU 81 Ca -0.06 -0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.24 3gkw s GLU 81 Cb -0.08 -1.36 0.01 0.00 0.26 0.00 0.00 34.13 32.95 3gkw s GLU 81 CO -0.02 -0.31 0.51 -1.17 -0.54 0.00 0.00 175.26 173.72 3gkw s LEU 82 N 1.83 3.48 -0.40 2.70 2.96 0.21 -1.65 118.68 127.82 3gkw s LEU 82 Ca 0.04 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 3gkw s LEU 82 Cb -0.13 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.26 3gkw s LEU 82 CO -0.07 -0.78 0.12 -1.20 -1.32 0.00 0.00 176.35 173.10 3gkw n SER 82 N -1.77 -0.57 -4.74 3.68 7.64 -0.86 -0.71 113.62 116.30 3gkw n SER 82 Ca 0.07 -0.38 -0.41 0.00 1.01 0.00 0.00 58.87 59.15 3gkw n SER 82 Cb 0.60 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3gkw n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gkw s LEU 82 N -5.13 4.40 0.22 -3.43 1.43 0.75 -4.68 118.68 112.24 3gkw s LEU 82 Ca 0.08 2.54 0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3gkw s LEU 82 Cb -0.05 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3gkw s LEU 82 CO 0.29 -0.63 -0.20 -0.13 0.23 0.00 0.00 176.35 175.91 3gkw s ARG 83 N -0.14 1.51 0.45 1.70 0.52 -1.26 0.01 118.95 121.74 3gkw s ARG 83 Ca 0.59 -1.61 0.27 0.00 -0.52 0.00 0.00 55.73 54.45 3gkw s ARG 83 Cb -0.39 -1.62 1.31 0.00 0.52 0.00 0.00 34.95 34.76 3gkw s ARG 83 CO 0.40 0.32 1.76 1.03 0.02 0.00 0.00 175.30 178.82 3gkw h SER 84 N 2.76 0.27 -0.02 0.23 0.87 -1.95 0.42 113.55 116.13 3gkw h SER 84 Ca -0.42 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3gkw h SER 84 Cb 1.23 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3gkw h SER 84 CO 0.55 0.02 0.00 -1.84 -0.53 0.00 0.00 176.83 175.03 3gkw n GLU 85 N -4.48 1.31 0.00 2.24 0.00 -1.26 -2.52 120.64 115.93 3gkw n GLU 85 Ca 0.28 -0.45 0.14 0.00 0.00 0.00 0.00 57.16 57.13 3gkw n GLU 85 Cb 1.10 -1.47 0.54 0.00 0.00 0.00 0.00 31.44 31.61 3gkw n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gkw n ASP 86 N -0.44 0.43 -4.43 -1.84 8.00 0.14 -4.83 116.55 113.58 3gkw n ASP 86 Ca 0.21 -0.37 -0.50 0.00 0.71 0.00 0.00 54.79 54.84 3gkw n ASP 86 Cb 0.22 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 3gkw n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gkw n THR 87 N -1.11 0.14 -3.89 -3.53 -1.04 -1.05 -4.85 114.28 98.96 3gkw n THR 87 Ca 0.12 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.78 3gkw n THR 87 Cb 0.30 -1.54 -0.00 0.00 -1.82 0.00 0.00 70.33 67.27 3gkw n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gkw s ALA 88 N 7.55 -0.51 -0.32 2.41 0.00 -0.92 -4.33 121.76 125.63 3gkw s ALA 88 Ca 1.11 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 3gkw s ALA 88 Cb -0.90 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3gkw s ALA 88 CO 0.49 -0.95 0.20 0.12 0.00 0.00 0.00 175.76 175.63 3gkw s PHE 89 N -2.90 3.21 -0.18 0.00 2.19 -0.91 -0.55 117.98 118.85 3gkw s PHE 89 Ca 0.18 -0.26 -0.09 0.00 0.33 0.00 0.00 56.93 57.09 3gkw s PHE 89 Cb -0.04 -2.42 -0.05 0.00 -1.31 0.00 0.00 43.02 39.20 3gkw s PHE 89 CO 0.12 -0.35 0.12 0.71 1.83 0.00 0.00 175.22 177.65 3gkw s TYR 90 N 1.70 3.43 0.05 10.12 1.51 -0.15 -1.60 117.35 132.41 3gkw s TYR 90 Ca 0.06 0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 56.26 3gkw s TYR 90 Cb -0.17 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3gkw s TYR 90 CO 0.09 0.39 0.47 -0.59 -1.11 0.00 0.00 175.55 174.80 3gkw s PHE 91 N -0.02 -0.35 0.35 2.71 -0.71 -0.66 -1.25 117.98 118.05 3gkw s PHE 91 Ca 0.09 0.34 0.07 0.00 -1.04 0.00 0.00 56.93 56.39 3gkw s PHE 91 Cb -0.11 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 3gkw s PHE 91 CO -0.00 -0.62 0.35 0.00 -1.34 0.00 0.00 175.22 173.61 3gkw s THR 93 N -2.31 0.01 -0.00 0.00 -1.32 0.98 -4.41 115.64 108.59 3gkw s THR 93 Ca 0.43 -0.29 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 3gkw s THR 93 Cb -0.06 -1.24 -0.00 0.00 -1.51 0.00 0.00 72.50 69.69 3gkw s THR 93 CO 0.28 -0.04 0.04 0.00 -2.21 0.00 0.00 174.62 172.69 3gkw s ARG 94 N -3.79 0.19 -0.02 7.08 1.70 -0.75 -0.72 118.95 122.64 3gkw s ARG 94 Ca 0.04 -0.19 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 3gkw s ARG 94 Cb -0.02 0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3gkw s ARG 94 CO -0.09 -0.03 -0.15 -0.65 -1.08 0.00 0.00 175.30 173.30 3gkw s GLN 95 N -0.59 1.35 0.34 3.89 -1.52 -0.38 -4.11 119.66 118.63 3gkw s GLN 95 Ca -0.07 -0.55 -0.29 0.00 -1.95 0.00 0.00 55.36 52.51 3gkw s GLN 95 Cb -0.04 -1.27 -0.12 0.00 -0.22 0.00 0.00 33.01 31.37 3gkw s GLN 95 CO -0.00 0.30 1.49 0.41 -0.25 0.00 0.00 175.29 177.24 3gkw n GLY 96 N 2.84 1.13 0.19 3.09 0.00 -1.26 0.37 105.19 111.56 3gkw n GLY 96 Ca -0.16 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3gkw n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gkw h LEU 97 N 3.55 0.61 -1.58 0.99 3.38 -0.91 -3.41 115.31 117.94 3gkw h LEU 97 Ca -0.49 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3gkw h LEU 97 Cb 1.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3gkw h LEU 97 CO 0.69 1.14 -0.15 -2.67 0.09 0.00 0.00 178.44 177.54 3gkw n TRP 98 N -3.87 0.00 -4.17 1.13 4.27 -1.26 -5.07 117.44 108.47 3gkw n TRP 98 Ca -0.05 -0.09 -0.10 0.00 -3.89 0.00 0.00 57.50 53.37 3gkw n TRP 98 Cb 0.71 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.53 3gkw n TRP 98 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 3gkw s PHE 99 N -0.22 0.90 1.01 -2.67 -0.12 -1.26 -5.17 117.98 110.45 3gkw s PHE 99 Ca 0.02 -1.10 -0.12 0.00 -0.05 0.00 0.00 56.93 55.67 3gkw s PHE 99 Cb 0.01 -0.53 0.20 0.00 -0.63 0.00 0.00 43.02 42.07 3gkw s PHE 99 CO 0.00 -0.36 1.08 -0.51 -0.05 0.00 0.00 175.22 175.38 3gkw s ASP 100 N -3.06 2.38 0.20 1.98 -0.00 -1.26 -4.23 116.67 112.68 3gkw s ASP 100 Ca 0.19 1.55 -0.32 0.00 -0.00 0.00 0.00 52.55 53.98 3gkw s ASP 100 Cb 0.07 -2.22 -0.15 0.00 -0.00 0.00 0.00 42.92 40.61 3gkw s ASP 100 CO -0.01 -3.34 1.13 -1.20 -0.00 0.00 0.00 175.17 171.76 3gkw n SER 100 N -4.35 1.36 0.00 0.27 7.64 -1.26 -4.72 113.62 112.57 3gkw n SER 100 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3gkw n SER 100 Cb 0.55 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 3gkw n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gkw n ASP 100 N 1.85 1.01 0.00 6.43 5.68 -1.26 -4.99 116.55 125.27 3gkw n ASP 100 Ca 0.14 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 3gkw n ASP 100 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3gkw n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gkw n GLY 100 N -0.20 1.26 1.03 6.12 0.00 -1.26 -4.83 105.19 107.32 3gkw n GLY 100 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3gkw n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkw n ARG 100 N -2.00 2.33 -0.33 1.61 1.74 -1.26 -4.50 116.66 114.25 3gkw n ARG 100 Ca 0.00 -2.12 0.17 0.00 -0.77 0.00 0.00 57.85 55.13 3gkw n ARG 100 Cb 0.00 -1.46 0.41 0.00 -1.02 0.00 0.00 32.46 30.38 3gkw n ARG 100 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3gkw h GLY 100 N 4.18 1.50 -2.08 -0.13 0.00 -1.88 -3.01 103.07 101.65 3gkw h GLY 100 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3gkw h GLY 100 CO 0.00 -0.09 0.00 0.69 0.00 0.00 0.00 176.54 177.14 3gkw n PHE 100 N -4.70 1.13 0.30 5.60 3.01 -1.26 -1.81 117.46 119.73 3gkw n PHE 100 Ca 0.23 -0.75 0.17 0.00 1.01 0.00 0.00 57.45 58.11 3gkw n PHE 100 Cb 0.68 -0.29 0.98 0.00 -0.01 0.00 0.00 39.48 40.85 3gkw n PHE 100 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3gkw h ASP 101 N 2.53 0.00 -0.38 4.37 3.45 -1.85 -2.05 116.42 122.50 3gkw h ASP 101 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gkw h ASP 101 Cb 1.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.19 3gkw h ASP 101 CO 0.23 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.39 3gkw n PHE 102 N -3.64 0.50 -0.29 4.55 0.99 -1.26 -4.40 117.46 113.90 3gkw n PHE 102 Ca -0.03 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.45 57.16 3gkw n PHE 102 Cb 0.11 0.00 0.10 0.00 -1.00 0.00 0.00 39.48 38.69 3gkw n PHE 102 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 3gkw h TRP 103 N 2.90 0.96 0.00 1.38 7.01 -1.57 -1.62 115.95 125.00 3gkw h TRP 103 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3gkw h TRP 103 Cb 0.65 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3gkw h TRP 103 CO 0.25 0.54 0.00 0.78 -2.79 0.00 0.00 178.44 177.22 3gkw h GLY 104 N 0.99 0.00 1.62 2.65 0.00 -1.82 -0.83 103.07 105.68 3gkw h GLY 104 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3gkw h GLY 104 CO -0.12 0.00 -0.04 -1.06 0.00 0.00 0.00 176.54 175.32 3gkw n GLN 105 N -2.99 0.28 -0.97 4.80 6.02 -0.61 -1.93 117.38 121.98 3gkw n GLN 105 Ca -0.01 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 3gkw n GLN 105 Cb 0.20 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.21 3gkw n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkw n GLY 106 N 1.37 -2.84 3.03 1.08 0.00 -0.32 -4.37 105.19 103.15 3gkw n GLY 106 Ca 0.11 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 3gkw n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkw s THR 107 N -2.89 1.17 -0.43 2.61 2.01 -0.38 0.25 115.64 117.98 3gkw s THR 107 Ca 0.69 -0.50 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 3gkw s THR 107 Cb -0.07 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.39 3gkw s THR 107 CO 0.54 0.36 0.92 -0.89 -0.69 0.00 0.00 174.62 174.86 3gkw s THR 108 N 0.63 4.51 -0.22 -0.82 2.01 -0.62 -0.98 115.64 120.14 3gkw s THR 108 Ca -0.14 0.88 -0.08 0.00 0.31 0.00 0.00 61.69 62.66 3gkw s THR 108 Cb -0.16 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 3gkw s THR 108 CO 0.04 -0.74 0.07 -0.69 -0.69 0.00 0.00 174.62 172.61 3gkw s VAL 109 N 3.66 4.56 -0.16 3.82 1.01 0.29 -1.71 120.40 131.87 3gkw s VAL 109 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3gkw s VAL 109 Cb -0.11 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3gkw s VAL 109 CO 0.24 0.38 -0.07 -0.89 0.00 0.00 0.00 175.10 174.76 3gkw s THR 110 N 1.13 3.49 -0.41 3.92 2.01 0.25 -2.16 115.64 123.86 3gkw s THR 110 Ca 0.05 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.41 3gkw s THR 110 Cb -0.14 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.89 3gkw s THR 110 CO 0.03 0.49 0.29 -0.69 -0.69 0.00 0.00 174.62 174.06 3gkw s VAL 111 N 0.53 4.96 -0.03 3.82 1.01 -1.26 0.48 120.40 129.91 3gkw s VAL 111 Ca -0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3gkw s VAL 111 Cb -0.15 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.49 3gkw s VAL 111 CO 0.03 -0.37 0.79 -0.55 0.00 0.00 0.00 175.10 175.00 3gkw s SER 112 N 1.89 -0.50 0.00 3.32 0.15 0.58 -4.58 113.70 114.55 3gkw s SER 112 Ca 0.04 0.35 0.28 0.00 0.70 0.00 0.00 55.95 57.31 3gkw s SER 112 Cb -0.21 0.46 1.03 0.00 -1.71 0.00 0.00 66.02 65.59 3gkw s SER 112 CO 0.08 -0.61 1.73 -1.20 1.20 0.00 0.00 173.24 174.44 3gkw n SER 113 N 0.37 0.99 -4.83 5.45 7.64 -1.26 -3.82 113.62 118.16 3gkw n SER 113 Ca -0.14 -1.02 -0.31 0.00 1.01 0.00 0.00 58.87 58.40 3gkw n SER 113 Cb 0.60 0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.87 3gkw n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gkw s ALA 114 N -2.30 2.79 0.44 -0.43 0.00 -1.26 -5.05 121.76 115.94 3gkw s ALA 114 Ca 0.31 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.46 3gkw s ALA 114 Cb 0.20 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.17 3gkw s ALA 114 CO 0.44 -1.01 0.52 -1.54 0.00 0.00 0.00 175.76 174.18 3gkw s SER 115 N -3.66 5.38 0.29 0.00 1.04 -1.26 -5.01 113.70 110.47 3gkw s SER 115 Ca 0.58 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 3gkw s SER 115 Cb -0.14 -0.51 -0.09 0.00 0.10 0.00 0.00 66.02 65.38 3gkw s SER 115 CO 0.51 -0.79 1.10 -0.89 0.98 0.00 0.00 173.24 174.14 3gkw s THR 116 N -2.43 3.49 -0.14 2.02 2.01 -1.26 -4.66 115.64 114.67 3gkw s THR 116 Ca 0.53 1.47 -0.08 0.00 0.31 0.00 0.00 61.69 63.92 3gkw s THR 116 Cb -0.07 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.56 3gkw s THR 116 CO 0.32 0.33 0.34 -0.75 -0.69 0.00 0.00 174.62 174.16 3gkw s LYS 117 N -1.55 0.33 0.63 4.92 2.20 0.61 -4.91 119.74 121.97 3gkw s LYS 117 Ca 0.46 0.64 -0.14 0.00 -0.36 0.00 0.00 55.97 56.56 3gkw s LYS 117 Cb -0.31 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 3gkw s LYS 117 CO 0.40 -0.14 1.06 0.20 -0.36 0.00 0.00 175.35 176.51 3gkw s GLY 118 N 1.12 1.96 0.39 5.54 0.00 -1.26 -1.81 107.32 113.26 3gkw s GLY 118 Ca -0.08 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 3gkw s GLY 118 CO -0.09 0.61 0.64 2.56 0.00 0.00 0.00 173.10 176.82 3gkw s PRO 119 N -4.42 3.52 0.01 2.90 0.04 -1.26 -4.40 135.00 131.39 3gkw s PRO 119 Ca 0.62 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.45 3gkw s PRO 119 Cb -0.15 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 3gkw s PRO 119 CO 0.43 0.02 0.32 -1.12 0.04 0.00 0.00 177.00 176.70 3gkw s SER 120 N -4.00 6.60 -0.24 6.66 0.01 -0.56 -4.92 113.70 117.26 3gkw s SER 120 Ca 0.43 0.71 -0.03 0.00 1.31 0.00 0.00 55.95 58.37 3gkw s SER 120 Cb -0.10 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3gkw s SER 120 CO 0.39 0.27 -0.04 -0.69 0.41 0.00 0.00 173.24 173.57 3gkw s VAL 121 N -1.24 3.18 0.02 3.43 1.01 -1.26 -0.57 120.40 124.97 3gkw s VAL 121 Ca 0.27 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3gkw s VAL 121 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3gkw s VAL 121 CO 0.15 0.31 -0.09 -0.36 0.00 0.00 0.00 175.10 175.11 3gkw s PHE 122 N 1.42 2.83 0.36 5.22 0.40 0.82 -4.97 117.98 124.06 3gkw s PHE 122 Ca 0.03 -0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 56.03 3gkw s PHE 122 Cb -0.15 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.71 3gkw s PHE 122 CO -0.04 0.36 1.03 -1.25 0.70 0.00 0.00 175.22 176.02 3gkw s PRO 123 N -1.47 4.35 -0.64 0.24 0.04 -1.26 -0.12 135.00 136.14 3gkw s PRO 123 Ca 0.17 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 3gkw s PRO 123 Cb -0.11 -2.72 0.16 0.00 0.04 0.00 0.00 34.50 31.87 3gkw s PRO 123 CO 0.08 0.03 0.57 -0.51 0.04 0.00 0.00 177.00 177.20 3gkw s LEU 124 N -2.29 6.25 0.18 -3.56 1.43 0.01 -4.74 118.68 115.97 3gkw s LEU 124 Ca 0.54 -2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.12 3gkw s LEU 124 Cb -0.23 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 3gkw s LEU 124 CO 0.29 -0.69 1.18 0.00 0.23 0.00 0.00 176.35 177.36 3gkw s ALA 125 N 0.91 3.43 0.70 4.21 0.00 -1.26 -2.27 121.76 127.47 3gkw s ALA 125 Ca 0.10 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 3gkw s ALA 125 Cb -0.21 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.60 3gkw s ALA 125 CO -0.02 -0.35 0.22 -2.30 0.00 0.00 0.00 175.76 173.30 3gkw n PRO 126 N 2.47 -0.21 0.00 0.00 -0.02 -1.26 -4.96 135.00 131.02 3gkw n PRO 126 Ca 0.04 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3gkw n PRO 126 Cb 0.45 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 3gkw n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gkw n ALA 136 N -3.07 0.00 -3.60 3.55 0.00 -0.76 -5.06 120.51 111.55 3gkw n ALA 136 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 3gkw n ALA 136 Cb 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.43 3gkw n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gkw s ALA 137 N -1.87 1.11 0.37 0.00 0.00 -1.26 -1.46 121.76 118.64 3gkw s ALA 137 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.66 3gkw s ALA 137 Cb 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 3gkw s ALA 137 CO 0.00 -0.05 0.05 -0.48 0.00 0.00 0.00 175.76 175.28 3gkw s LEU 138 N 0.99 2.34 0.00 0.00 -0.00 -0.45 -4.92 118.68 116.64 3gkw s LEU 138 Ca -0.09 -1.44 0.00 0.00 -0.00 0.00 0.00 54.13 52.60 3gkw s LEU 138 Cb -0.15 -0.51 0.00 0.00 -0.00 0.00 0.00 46.19 45.54 3gkw s LEU 138 CO 0.00 -0.64 0.00 0.61 -0.00 0.00 0.00 176.35 176.32 3gkw n GLY 139 N -0.84 0.78 2.82 -3.48 0.00 -0.96 -1.34 105.19 102.16 3gkw n GLY 139 Ca -0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3gkw n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkw s LEU 141 N 0.90 4.21 -0.42 0.00 2.96 0.84 -1.05 118.68 126.12 3gkw s LEU 141 Ca -0.09 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 3gkw s LEU 141 Cb -0.12 -3.03 0.11 0.00 0.50 0.00 0.00 46.19 43.65 3gkw s LEU 141 CO -0.02 -0.24 0.23 -0.69 -1.32 0.00 0.00 176.35 174.31 3gkw s VAL 142 N 1.56 3.50 -0.03 1.68 1.01 0.13 -0.12 120.40 128.13 3gkw s VAL 142 Ca 0.34 -1.97 0.07 0.00 0.00 0.00 0.00 61.98 60.42 3gkw s VAL 142 Cb -0.17 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3gkw s VAL 142 CO 0.13 -0.69 -0.22 -0.75 0.00 0.00 0.00 175.10 173.57 3gkw s LYS 143 N 1.20 2.23 0.00 2.72 2.20 0.27 -1.40 119.74 126.95 3gkw s LYS 143 Ca 0.07 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3gkw s LYS 143 Cb -0.23 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 3gkw s LYS 143 CO -0.03 0.58 0.00 -0.25 -0.36 0.00 0.00 175.35 175.29 3gkw n ASP 144 N 2.35 -1.89 -4.52 1.43 9.92 -0.14 -1.49 116.55 122.20 3gkw n ASP 144 Ca -0.16 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.86 3gkw n ASP 144 Cb 0.51 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.43 3gkw n ASP 144 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3gkw s TYR 145 N -2.92 2.39 -0.23 1.24 1.13 -1.04 -4.36 117.35 113.56 3gkw s TYR 145 Ca 0.00 -0.33 -0.19 0.00 -1.41 0.00 0.00 57.07 55.14 3gkw s TYR 145 Cb 0.00 -1.09 0.06 0.00 -1.10 0.00 0.00 41.96 39.83 3gkw s TYR 145 CO 0.00 0.68 0.60 0.12 -2.51 0.00 0.00 175.55 174.44 3gkw s PHE 146 N -2.49 -0.73 0.00 -3.49 5.36 -0.75 -0.71 117.98 115.17 3gkw s PHE 146 Ca 0.31 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 3gkw s PHE 146 Cb -0.04 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 3gkw s PHE 146 CO 0.16 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.21 3gkw n PRO 147 N 3.17 1.16 -2.14 10.12 -0.04 -1.26 -0.29 135.00 145.71 3gkw n PRO 147 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 3gkw n PRO 147 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 3gkw n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gkw s GLU 148 N -0.60 3.63 0.51 0.54 0.41 -1.26 -4.75 118.70 117.18 3gkw s GLU 148 Ca 0.00 0.99 0.08 0.00 -0.41 0.00 0.00 54.97 55.64 3gkw s GLU 148 Cb 0.00 -2.08 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 3gkw s GLU 148 CO 0.00 -0.54 0.62 -1.25 -0.49 0.00 0.00 175.26 173.60 3gkw s PRO 149 N -4.33 2.45 0.14 0.39 0.04 -1.26 -4.87 135.00 127.56 3gkw s PRO 149 Ca 0.60 -1.60 0.07 0.00 0.04 0.00 0.00 61.00 60.11 3gkw s PRO 149 Cb -0.12 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3gkw s PRO 149 CO 0.39 -0.60 -0.06 0.14 0.04 0.00 0.00 177.00 176.91 3gkw s VAL 150 N -2.59 3.49 -0.14 -0.36 -7.23 -1.26 -4.64 120.40 107.67 3gkw s VAL 150 Ca 0.54 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 3gkw s VAL 150 Cb -0.06 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3gkw s VAL 150 CO 0.33 -0.01 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.18 3gkw s THR 151 N -1.49 3.81 -0.05 5.32 2.01 -0.46 -4.96 115.64 119.81 3gkw s THR 151 Ca 0.24 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.89 3gkw s THR 151 Cb -0.10 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 3gkw s THR 151 CO 0.16 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.74 3gkw s VAL 152 N 0.20 2.80 0.05 3.82 1.01 -1.26 -1.08 120.40 125.94 3gkw s VAL 152 Ca -0.03 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3gkw s VAL 152 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3gkw s VAL 152 CO 0.03 0.58 -0.07 -0.44 0.00 0.00 0.00 175.10 175.20 3gkw s SER 153 N -0.59 0.82 -0.11 3.32 0.01 0.90 -4.97 113.70 113.07 3gkw s SER 153 Ca 0.08 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.74 3gkw s SER 153 Cb -0.11 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 3gkw s SER 153 CO 0.01 -0.26 -0.15 0.26 0.41 0.00 0.00 173.24 173.51 3gkw s TRP 154 N -1.75 2.75 -1.57 2.43 0.52 -1.26 0.36 118.94 120.42 3gkw s TRP 154 Ca -0.07 -0.65 -0.12 0.00 0.02 0.00 0.00 56.10 55.28 3gkw s TRP 154 Cb -0.08 -1.79 0.09 0.00 -1.15 0.00 0.00 33.47 30.54 3gkw s TRP 154 CO -0.01 -0.20 0.71 0.09 0.02 0.00 0.00 176.95 177.57 3gkw n ASN 155 N 3.37 -2.62 -1.79 2.95 3.02 -0.61 -1.20 115.26 118.37 3gkw n ASN 155 Ca -0.18 -0.96 -0.20 0.00 -0.03 0.00 0.00 54.58 53.20 3gkw n ASN 155 Cb 0.53 -3.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.54 3gkw n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gkw n SER 156 N -2.80 -5.55 0.00 6.41 7.64 -1.26 -0.83 113.62 117.23 3gkw n SER 156 Ca -0.06 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3gkw n SER 156 Cb 0.56 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 3gkw n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gkw n GLY 157 N -0.65 0.78 0.12 0.23 0.00 -0.35 -4.97 105.19 100.36 3gkw n GLY 157 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3gkw n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkw h ALA 158 N 0.00 -0.18 -2.52 4.61 0.00 -0.86 -3.45 119.26 116.86 3gkw h ALA 158 Ca 0.00 -0.19 -0.49 0.00 0.00 0.00 0.00 54.91 54.23 3gkw h ALA 158 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gkw h ALA 158 CO 0.00 -0.40 0.26 -1.17 0.00 0.00 0.00 179.25 177.93 3gkw s LEU 159 N -9.41 4.39 0.03 0.00 0.20 -1.13 -4.91 118.68 107.85 3gkw s LEU 159 Ca -0.15 1.70 0.00 0.00 0.69 0.00 0.00 54.13 56.37 3gkw s LEU 159 Cb 0.02 -3.79 0.00 0.00 -0.43 0.00 0.00 46.19 41.99 3gkw s LEU 159 CO 0.60 0.01 0.00 0.41 -0.29 0.00 0.00 176.35 177.08 3gkw n THR 160 N 0.77 0.00 -1.92 3.68 -1.04 -1.26 -4.46 114.28 110.05 3gkw n THR 160 Ca -0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3gkw n THR 160 Cb 0.50 -0.08 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 3gkw n THR 160 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3gkw s SER 161 N -2.46 6.57 0.00 8.00 0.01 -1.26 -2.38 113.70 122.18 3gkw s SER 161 Ca 0.00 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.88 3gkw s SER 161 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3gkw s SER 161 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 3gkw n GLY 162 N 3.80 0.67 3.73 3.44 0.00 -1.26 -4.77 105.19 110.80 3gkw n GLY 162 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3gkw n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gkw s VAL 163 N -2.15 5.01 -0.17 1.61 1.01 -1.00 -3.28 120.40 121.42 3gkw s VAL 163 Ca 0.00 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 3gkw s VAL 163 Cb 0.00 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3gkw s VAL 163 CO 0.00 0.32 -0.07 -1.00 0.00 0.00 0.00 175.10 174.34 3gkw s HIS 164 N 0.45 1.93 -0.34 5.22 3.76 -0.23 -4.98 115.29 121.09 3gkw s HIS 164 Ca 0.34 -1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 53.94 3gkw s HIS 164 Cb -0.18 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.11 3gkw s HIS 164 CO 0.17 -0.65 0.15 0.99 -0.85 0.00 0.00 174.74 174.54 3gkw s THR 165 N 1.56 4.24 0.49 1.30 2.01 -1.26 -0.16 115.64 123.81 3gkw s THR 165 Ca 0.01 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 3gkw s THR 165 Cb -0.15 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 3gkw s THR 165 CO -0.08 -0.12 1.05 -0.36 -0.69 0.00 0.00 174.62 174.42 3gkw s PHE 166 N 1.51 2.97 0.45 4.92 0.40 -0.75 -4.99 117.98 122.49 3gkw s PHE 166 Ca 0.01 1.58 -0.25 0.00 -0.60 0.00 0.00 56.93 57.67 3gkw s PHE 166 Cb -0.19 -3.10 -0.08 0.00 0.51 0.00 0.00 43.02 40.16 3gkw s PHE 166 CO 0.05 -0.92 1.37 -2.30 0.70 0.00 0.00 175.22 174.12 3gkw n PRO 167 N -0.94 2.08 -1.49 0.24 -0.02 -1.26 -4.69 135.00 128.92 3gkw n PRO 167 Ca 0.09 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 3gkw n PRO 167 Cb 0.52 -2.54 0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3gkw n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gkw s ALA 168 N -1.21 2.21 -0.05 3.55 0.00 -1.26 -4.87 121.76 120.13 3gkw s ALA 168 Ca 0.62 0.68 0.04 0.00 0.00 0.00 0.00 51.96 53.30 3gkw s ALA 168 Cb -0.46 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3gkw s ALA 168 CO 0.57 -1.70 -0.16 0.08 0.00 0.00 0.00 175.76 174.55 3gkw s VAL 169 N -2.25 1.36 -0.10 0.00 1.01 -0.79 -4.95 120.40 114.68 3gkw s VAL 169 Ca 0.70 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3gkw s VAL 169 Cb -0.24 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3gkw s VAL 169 CO 0.45 0.40 1.56 -0.22 0.00 0.00 0.00 175.10 177.29 3gkw s LEU 170 N 0.20 4.22 0.52 3.92 0.20 -1.26 -2.48 118.68 124.00 3gkw s LEU 170 Ca -0.07 2.02 -0.10 0.00 0.69 0.00 0.00 54.13 56.67 3gkw s LEU 170 Cb -0.13 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.05 3gkw s LEU 170 CO 0.03 -0.94 0.89 -1.10 -0.29 0.00 0.00 176.35 174.94 3gkw s GLN 171 N 4.02 3.67 0.53 1.98 -0.21 0.45 -4.94 119.66 125.16 3gkw s GLN 171 Ca 0.69 0.55 0.45 0.00 0.02 0.00 0.00 55.36 57.06 3gkw s GLN 171 Cb -0.29 -2.25 1.66 0.00 1.00 0.00 0.00 33.01 33.13 3gkw s GLN 171 CO 0.26 -0.30 1.61 1.03 -2.12 0.00 0.00 175.29 175.77 3gkw h SER 172 N 0.35 0.05 0.51 5.90 0.87 -1.94 0.42 113.55 119.71 3gkw h SER 172 Ca -0.46 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3gkw h SER 172 Cb 1.19 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3gkw h SER 172 CO 0.62 -0.04 0.00 -1.54 -0.53 0.00 0.00 176.83 175.34 3gkw n SER 173 N -4.12 0.00 0.00 6.23 3.41 -1.26 -4.86 113.62 113.02 3gkw n SER 173 Ca 0.41 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3gkw n SER 173 Cb 1.81 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3gkw n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gkw n GLY 174 N 0.89 0.73 3.67 5.00 0.00 0.15 -5.04 105.19 110.59 3gkw n GLY 174 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3gkw n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gkw s LEU 175 N 0.00 3.33 0.39 0.99 1.43 -1.25 -4.88 118.68 118.69 3gkw s LEU 175 Ca 0.00 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3gkw s LEU 175 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3gkw s LEU 175 CO 0.00 0.05 0.68 -0.31 0.23 0.00 0.00 176.35 177.00 3gkw s TYR 176 N -1.96 3.51 -0.07 0.29 1.51 0.11 -0.41 117.35 120.33 3gkw s TYR 176 Ca 0.29 0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 56.94 3gkw s TYR 176 Cb -0.08 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3gkw s TYR 176 CO 0.20 -0.05 0.34 0.45 -1.11 0.00 0.00 175.55 175.37 3gkw s SER 177 N -3.65 -0.28 0.27 2.29 0.15 -1.04 -0.97 113.70 110.48 3gkw s SER 177 Ca 0.46 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.36 3gkw s SER 177 Cb -0.10 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3gkw s SER 177 CO 0.37 -0.31 0.52 -1.48 1.20 0.00 0.00 173.24 173.54 3gkw s LEU 178 N -0.65 0.34 0.13 3.45 0.05 -0.49 -1.88 118.68 119.63 3gkw s LEU 178 Ca -0.08 -1.00 0.07 0.00 0.05 0.00 0.00 54.13 53.18 3gkw s LEU 178 Cb -0.04 1.89 -0.04 0.00 -2.05 0.00 0.00 46.19 45.96 3gkw s LEU 178 CO 0.03 -1.22 -0.17 -0.44 -0.55 0.00 0.00 176.35 173.99 3gkw s SER 179 N -3.04 2.39 -0.03 1.48 0.01 -1.26 0.20 113.70 113.45 3gkw s SER 179 Ca 0.22 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3gkw s SER 179 Cb -0.01 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3gkw s SER 179 CO 0.11 -0.04 -0.04 -0.55 0.41 0.00 0.00 173.24 173.12 3gkw s SER 180 N -2.36 0.80 0.27 2.44 0.15 -0.21 -1.82 113.70 112.97 3gkw s SER 180 Ca 0.10 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.66 3gkw s SER 180 Cb -0.07 -0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 3gkw s SER 180 CO 0.05 -0.03 0.11 0.68 1.20 0.00 0.00 173.24 175.25 3gkw s VAL 181 N 0.66 0.53 -0.15 4.45 -7.23 0.77 -0.32 120.40 119.11 3gkw s VAL 181 Ca -0.08 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 3gkw s VAL 181 Cb -0.12 -2.61 0.09 0.00 0.56 0.00 0.00 36.38 34.30 3gkw s VAL 181 CO -0.00 0.00 0.78 -0.69 -0.31 0.00 0.00 175.10 174.88 3gkw s VAL 182 N -3.72 0.00 -0.07 1.32 1.01 -0.45 -1.07 120.40 117.43 3gkw s VAL 182 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3gkw s VAL 182 Cb 0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3gkw s VAL 182 CO 0.14 0.00 0.01 0.42 0.00 0.00 0.00 175.10 175.67 3gkw s THR 183 N -0.58 4.31 0.34 3.92 -4.23 -1.20 -1.34 115.64 116.85 3gkw s THR 183 Ca -0.05 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 3gkw s THR 183 Cb -0.02 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3gkw s THR 183 CO 0.04 0.56 0.38 0.68 -0.54 0.00 0.00 174.62 175.74 3gkw s VAL 184 N -0.93 0.00 -0.17 2.29 -7.23 -0.54 -4.84 120.40 108.98 3gkw s VAL 184 Ca 0.15 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 3gkw s VAL 184 Cb -0.11 -2.58 -0.23 0.00 0.56 0.00 0.00 36.38 34.02 3gkw s VAL 184 CO 0.04 0.00 0.46 1.55 -0.31 0.00 0.00 175.10 176.84 3gkw h PRO 185 N 2.12 0.04 0.00 4.82 0.13 -2.00 -2.03 132.00 135.09 3gkw h PRO 185 Ca -0.27 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3gkw h PRO 185 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3gkw h PRO 185 CO 0.38 1.03 0.00 0.94 -0.23 0.00 0.00 178.00 180.12 3gkw n GLN 192 N -4.42 0.00 -4.77 0.86 -0.06 -1.26 -4.63 117.38 103.10 3gkw n GLN 192 Ca -0.23 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.43 3gkw n GLN 192 Cb 0.64 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.70 3gkw n GLN 192 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 3gkw s THR 193 N -1.55 3.34 -0.23 1.69 -1.32 -1.26 -5.10 115.64 111.21 3gkw s THR 193 Ca 0.00 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 3gkw s THR 193 Cb 0.00 -2.34 0.03 0.00 -1.51 0.00 0.00 72.50 68.68 3gkw s THR 193 CO 0.00 0.59 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.57 3gkw s TYR 194 N -0.70 3.02 -0.05 9.09 1.51 -1.26 -4.96 117.35 124.00 3gkw s TYR 194 Ca 0.11 -1.78 0.03 0.00 -1.01 0.00 0.00 57.07 54.42 3gkw s TYR 194 Cb -0.11 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 3gkw s TYR 194 CO 0.01 -0.79 -0.14 0.42 -1.11 0.00 0.00 175.55 173.94 3gkw s ILE 195 N 1.26 3.08 -0.04 2.71 1.01 -1.26 0.94 121.20 128.90 3gkw s ILE 195 Ca -0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 3gkw s ILE 195 Cb -0.16 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3gkw s ILE 195 CO -0.08 0.59 0.81 0.00 0.00 0.00 0.00 174.94 176.27 3gkw s ASN 197 N 0.88 4.97 -0.19 0.00 0.02 0.16 -0.78 114.94 119.99 3gkw s ASN 197 Ca 0.43 -1.83 -0.02 0.00 -1.02 0.00 0.00 52.86 50.42 3gkw s ASN 197 Cb -0.19 -1.72 -0.00 0.00 0.02 0.00 0.00 41.25 39.35 3gkw s ASN 197 CO 0.22 -0.40 -0.09 -0.69 0.02 0.00 0.00 177.10 176.16 3gkw s VAL 198 N 1.10 3.06 0.01 1.60 1.01 -1.01 -0.07 120.40 126.10 3gkw s VAL 198 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3gkw s VAL 198 Cb -0.21 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3gkw s VAL 198 CO -0.05 0.47 -0.07 0.54 0.00 0.00 0.00 175.10 175.99 3gkw s ASN 199 N 1.18 0.85 -0.36 3.32 2.20 -0.24 -0.80 114.94 121.09 3gkw s ASN 199 Ca 0.02 -0.25 0.02 0.00 -0.94 0.00 0.00 52.86 51.71 3gkw s ASN 199 Cb -0.14 -0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.16 3gkw s ASN 199 CO -0.03 0.00 0.10 -2.28 -2.94 0.00 0.00 177.10 171.96 3gkw s HIS 200 N -0.52 2.92 0.23 1.54 5.65 0.14 -1.36 115.29 123.89 3gkw s HIS 200 Ca -0.01 -2.59 -0.06 0.00 0.25 0.00 0.00 55.06 52.65 3gkw s HIS 200 Cb -0.05 -2.46 0.37 0.00 -1.18 0.00 0.00 32.58 29.27 3gkw s HIS 200 CO 0.00 -0.89 1.74 0.87 -0.65 0.00 0.00 174.74 175.81 3gkw h LYS 201 N 7.56 0.45 0.00 2.88 1.57 -1.82 -2.30 116.57 124.92 3gkw h LYS 201 Ca -0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gkw h LYS 201 Cb 1.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3gkw h LYS 201 CO 0.52 0.30 0.03 -2.30 -0.57 0.00 0.00 179.45 177.43 3gkw n PRO 202 N -4.97 0.13 0.00 3.15 -0.02 -1.26 -1.39 135.00 130.64 3gkw n PRO 202 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3gkw n PRO 202 Cb 0.34 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gkw n PRO 202 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gkw n SER 203 N -2.19 1.46 -4.10 2.55 3.41 -0.96 -4.93 113.62 108.87 3gkw n SER 203 Ca -0.01 -1.67 -0.32 0.00 -0.26 0.00 0.00 58.87 56.61 3gkw n SER 203 Cb 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3gkw n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkw n ASN 204 N -0.34 -2.48 -4.75 4.04 4.05 -0.48 -4.86 115.26 110.44 3gkw n ASN 204 Ca 0.00 -0.98 -0.38 0.00 0.45 0.00 0.00 54.58 53.67 3gkw n ASN 204 Cb 0.26 -2.98 -0.06 0.00 1.23 0.00 0.00 39.78 38.24 3gkw n ASN 204 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3gkw s THR 205 N -3.52 5.13 -0.29 -0.44 2.01 -0.91 -4.98 115.64 112.64 3gkw s THR 205 Ca 0.49 0.92 0.02 0.00 0.31 0.00 0.00 61.69 63.43 3gkw s THR 205 Cb -0.26 -3.79 0.16 0.00 0.01 0.00 0.00 72.50 68.62 3gkw s THR 205 CO 0.90 0.40 0.41 -0.75 -0.69 0.00 0.00 174.62 174.90 3gkw s LYS 206 N 0.12 0.41 0.47 4.92 2.20 -1.25 0.23 119.74 126.84 3gkw s LYS 206 Ca 0.25 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.05 3gkw s LYS 206 Cb -0.16 -0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 35.83 3gkw s LYS 206 CO 0.11 -1.03 0.07 0.14 -0.36 0.00 0.00 175.35 174.28 3gkw s VAL 207 N 2.55 1.64 -0.32 4.02 -7.23 0.02 -4.99 120.40 116.08 3gkw s VAL 207 Ca 0.10 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 3gkw s VAL 207 Cb -0.12 -2.55 0.16 0.00 0.56 0.00 0.00 36.38 34.43 3gkw s VAL 207 CO -0.30 0.00 0.41 -1.81 -0.31 0.00 0.00 175.10 173.09 3gkw s ASP 208 N -3.87 0.58 -0.03 4.85 1.01 -1.24 -2.39 116.67 115.58 3gkw s ASP 208 Ca 0.23 -0.76 -0.20 0.00 0.71 0.00 0.00 52.55 52.54 3gkw s ASP 208 Cb 0.04 0.97 -0.05 0.00 1.01 0.00 0.00 42.92 44.89 3gkw s ASP 208 CO 0.12 -0.32 0.56 -0.54 0.21 0.00 0.00 175.17 175.20 3gkw s LYS 209 N 2.20 4.29 -0.08 8.23 1.02 0.04 -4.76 119.74 130.67 3gkw s LYS 209 Ca 0.12 0.65 -0.26 0.00 0.02 0.00 0.00 55.97 56.49 3gkw s LYS 209 Cb -0.13 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3gkw s LYS 209 CO -0.22 0.34 0.85 0.21 -0.92 0.00 0.00 175.35 175.61 3gkw s LYS 210 N -0.07 4.43 -0.33 1.68 2.20 -1.26 0.24 119.74 126.62 3gkw s LYS 210 Ca 0.29 1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 56.94 3gkw s LYS 210 Cb -0.17 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3gkw s LYS 210 CO 0.15 -0.13 0.16 0.08 -0.36 0.00 0.00 175.35 175.25 3gkw s VAL 211 N 1.40 4.44 -0.65 4.02 1.01 0.27 -4.92 120.40 125.97 3gkw s VAL 211 Ca 0.43 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3gkw s VAL 211 Cb -0.18 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3gkw s VAL 211 CO 0.19 -0.06 0.66 -0.81 0.00 0.00 0.00 175.10 175.09