#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kit n LEU 6 N 0.00 0.00 -0.11 -2.67 -0.00 -1.26 -5.10 117.00 107.87 3kit n LEU 6 Ca 0.00 -1.24 -0.17 0.00 -0.00 0.00 0.00 56.01 54.60 3kit n LEU 6 Cb 0.00 0.11 -0.06 0.00 -0.00 0.00 0.00 43.42 43.47 3kit n LEU 6 CO 0.00 -0.22 -0.98 0.54 -0.00 0.00 0.00 177.39 176.73 3kit n ARG 7 N -0.60 0.55 -1.96 1.47 5.12 -1.26 -4.46 116.66 115.53 3kit n ARG 7 Ca -0.07 0.23 -0.38 0.00 -1.93 0.00 0.00 57.85 55.70 3kit n ARG 7 Cb 0.25 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 3kit n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kit n PRO 8 N -4.37 2.25 0.00 5.56 -0.04 -1.26 -3.70 135.00 133.44 3kit n PRO 8 Ca -0.30 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 3kit n PRO 8 Cb 0.66 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 3kit n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3kit n ASN 9 N 9.79 0.00 0.00 3.54 5.15 -1.26 -4.95 115.26 127.53 3kit n ASN 9 Ca 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 3kit n ASN 9 Cb 0.44 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 3kit n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kit n PRO 10 N -2.15 0.00 -0.76 1.20 -0.04 -1.24 -4.80 135.00 127.21 3kit n PRO 10 Ca 0.00 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.19 3kit n PRO 10 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 3kit n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kit n GLY 11 N -0.77 -0.54 3.58 0.55 0.00 -1.26 -4.74 105.19 102.00 3kit n GLY 11 Ca 0.00 0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 3kit n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kit n ALA 12 N 0.39 -0.40 -1.93 4.61 0.00 -1.26 -4.96 120.51 116.95 3kit n ALA 12 Ca 0.10 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.66 3kit n ALA 12 Cb 0.09 -2.01 0.06 0.00 0.00 0.00 0.00 19.45 17.59 3kit n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kit s ASN 13 N -0.48 5.00 0.00 0.00 6.03 -1.26 -4.87 114.94 119.36 3kit s ASN 13 Ca 0.61 0.77 0.00 0.00 -1.03 0.00 0.00 52.86 53.21 3kit s ASN 13 Cb -0.73 -1.46 0.00 0.00 -3.03 0.00 0.00 41.25 36.03 3kit s ASN 13 CO 0.58 -1.55 0.00 0.29 -2.03 0.00 0.00 177.10 174.40 3kit n LYS 14 N -3.02 0.00 -3.88 3.55 5.02 -1.26 -3.87 118.16 114.70 3kit n LYS 14 Ca 0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 3kit n LYS 14 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.47 3kit n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kit s ARG 15 N 0.00 1.94 -0.10 1.97 0.52 -1.26 -4.75 118.95 117.28 3kit s ARG 15 Ca 0.00 -2.16 0.01 0.00 -0.52 0.00 0.00 55.73 53.05 3kit s ARG 15 Cb 0.00 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 3kit s ARG 15 CO 0.00 -1.06 -0.08 2.89 0.02 0.00 0.00 175.30 177.07 3kit n ARG 16 N 3.93 0.29 -0.68 3.54 -4.01 -1.25 -4.99 116.66 113.48 3kit n ARG 16 Ca 0.03 0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 3kit n ARG 16 Cb 0.39 -1.19 0.00 0.00 -3.04 0.00 0.00 32.46 28.61 3kit n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3kit n LYS 17 N -2.77 -0.69 -0.47 2.89 4.81 -1.26 -4.70 118.16 115.97 3kit n LYS 17 Ca -0.17 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.63 3kit n LYS 17 Cb 0.68 -2.58 0.56 0.00 0.02 0.00 0.00 35.03 33.71 3kit n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kit n ARG 18 N -0.67 -0.01 -1.50 1.64 5.12 -1.26 -4.34 116.66 115.64 3kit n ARG 18 Ca 0.00 0.78 -0.30 0.00 -1.93 0.00 0.00 57.85 56.40 3kit n ARG 18 Cb 0.01 -1.75 -0.19 0.00 -1.16 0.00 0.00 32.46 29.37 3kit n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3kit n VAL 19 N -3.49 -0.00 -1.40 1.55 0.24 -1.26 -4.87 118.33 109.09 3kit n VAL 19 Ca 0.31 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.01 3kit n VAL 19 Cb 1.35 -0.30 0.22 0.00 -1.47 0.00 0.00 33.84 33.64 3kit n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kit s GLY 20 N 4.18 1.66 -0.36 7.63 0.00 -1.26 -5.00 107.32 114.17 3kit s GLY 20 Ca 1.32 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.80 3kit s GLY 20 CO 0.52 -0.23 0.34 -1.60 0.00 0.00 0.00 173.10 172.14 3kit s ARG 21 N -5.62 3.43 -0.30 2.90 3.52 -1.26 -5.06 118.95 116.56 3kit s ARG 21 Ca 0.73 -0.57 -0.06 0.00 -0.13 0.00 0.00 55.73 55.70 3kit s ARG 21 Cb -0.07 -3.84 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 3kit s ARG 21 CO 0.55 -0.58 0.07 0.20 -0.81 0.00 0.00 175.30 174.73 3kit s GLY 22 N 1.74 1.78 -0.92 8.12 0.00 -1.26 -5.08 107.32 111.70 3kit s GLY 22 Ca 0.10 -1.49 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 3kit s GLY 22 CO 0.12 0.65 1.01 -4.14 0.00 0.00 0.00 173.10 170.74 3kit s PRO 23 N 1.47 3.68 -0.30 2.90 0.02 -1.26 -4.79 135.00 136.72 3kit s PRO 23 Ca 0.02 -2.21 -0.15 0.00 0.02 0.00 0.00 61.00 58.68 3kit s PRO 23 Cb -0.17 -4.71 0.18 0.00 0.02 0.00 0.00 34.50 29.82 3kit s PRO 23 CO 0.02 -1.54 1.14 0.20 -0.33 0.00 0.00 177.00 176.49 3kit s GLY 24 N 2.81 -0.57 0.00 0.52 0.00 -1.10 -4.79 107.32 104.19 3kit s GLY 24 Ca 0.27 2.59 0.00 0.00 0.00 0.00 0.00 44.72 47.59 3kit s GLY 24 CO -0.08 4.06 0.00 -1.14 0.00 0.00 0.00 173.10 175.94 3kit n SER 25 N 5.25 0.00 -0.33 1.64 3.41 -1.26 -5.02 113.62 117.31 3kit n SER 25 Ca 0.02 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.87 3kit n SER 25 Cb 0.57 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.99 3kit n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kit h GLY 26 N 0.00 2.02 -6.12 5.00 0.00 -1.99 -3.34 103.07 98.64 3kit h GLY 26 Ca 0.00 -0.20 -0.67 0.00 0.00 0.00 0.00 47.33 46.46 3kit h GLY 26 CO 0.00 -0.52 -0.82 -1.58 0.00 0.00 0.00 176.54 173.61 3kit s HIS 27 N -5.68 2.80 0.00 5.60 5.65 -1.26 -4.81 115.29 117.59 3kit s HIS 27 Ca -0.10 -1.35 0.00 0.00 0.25 0.00 0.00 55.06 53.85 3kit s HIS 27 Cb 0.30 -1.93 0.00 0.00 -1.18 0.00 0.00 32.58 29.77 3kit s HIS 27 CO 0.79 -0.67 0.00 0.41 -0.65 0.00 0.00 174.74 174.62 3kit n GLY 28 N 4.46 1.13 3.11 1.59 0.00 -1.26 -4.91 105.19 109.32 3kit n GLY 28 Ca -0.20 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 3kit n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kit s LYS 29 N 0.00 3.03 0.00 1.61 3.01 -1.26 -4.91 119.74 121.22 3kit s LYS 29 Ca 0.00 -2.96 0.00 0.00 -1.01 0.00 0.00 55.97 52.00 3kit s LYS 29 Cb 0.00 -3.90 0.00 0.00 -1.01 0.00 0.00 37.83 32.92 3kit s LYS 29 CO 0.00 -1.23 0.00 2.41 0.51 0.00 0.00 175.35 177.04 3kit n THR 30 N 2.84 0.00 0.00 2.17 -1.04 -1.25 -2.70 114.28 114.29 3kit n THR 30 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3kit n THR 30 Cb 0.38 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 3kit n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kit n ALA 31 N -3.00 0.00 0.25 2.41 0.00 -1.26 0.15 120.51 119.06 3kit n ALA 31 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3kit n ALA 31 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 3kit n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kit h THR 32 N 0.00 0.27 -1.76 0.00 1.35 -1.90 -3.49 112.91 107.37 3kit h THR 32 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3kit h THR 32 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3kit h THR 32 CO 0.00 0.10 0.00 -1.14 -0.25 0.00 0.00 175.52 174.23 3kit n ARG 33 N -3.25 0.00 0.00 4.72 3.00 0.39 -4.64 116.66 116.88 3kit n ARG 33 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 3kit n ARG 33 Cb 0.36 -0.43 0.00 0.00 0.00 0.00 0.00 32.46 32.39 3kit n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kit n GLY 34 N 0.28 0.00 0.00 5.14 0.00 -1.26 -4.12 105.19 105.24 3kit n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kit n HIS 35 N 0.00 0.00 -0.54 1.61 8.25 -1.26 -5.13 115.22 118.15 3kit n HIS 35 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3kit n HIS 35 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3kit n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kit n LYS 36 N 0.09 -1.12 0.00 -0.41 5.02 -1.26 -4.76 118.16 115.72 3kit n LYS 36 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 3kit n LYS 36 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3kit n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kit n GLY 37 N -2.54 -0.84 0.00 0.72 0.00 -1.26 -4.92 105.19 96.36 3kit n GLY 37 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLN 38 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.13 117.38 123.24 3kit n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kit n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kit n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kit n LYS 39 N 0.00 0.00 -1.83 2.61 4.76 -1.26 -5.01 118.16 117.43 3kit n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kit n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kit n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kit n SER 40 N 0.00 -1.44 -3.43 4.39 2.88 -1.26 -5.02 113.62 109.74 3kit n SER 40 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3kit n SER 40 Cb 0.00 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.98 3kit n SER 40 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3kit s ARG 41 N -3.67 0.78 0.00 -1.46 1.81 -1.26 -4.58 118.95 110.58 3kit s ARG 41 Ca 0.00 -1.81 0.00 0.00 -1.72 0.00 0.00 55.73 52.20 3kit s ARG 41 Cb 0.00 -1.41 0.00 0.00 -0.45 0.00 0.00 34.95 33.09 3kit s ARG 41 CO 0.00 -1.31 0.00 -1.13 -0.68 0.00 0.00 175.30 172.18 3kit n SER 42 N 3.33 0.00 0.00 0.23 3.41 -1.26 -4.96 113.62 114.36 3kit n SER 42 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3kit n SER 42 Cb 0.43 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3kit n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kit n GLY 43 N -0.96 1.00 0.00 5.00 0.00 -1.26 -5.12 105.19 103.84 3kit n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 44 N 0.00 4.25 0.00 -0.02 0.00 -1.26 -5.12 105.19 103.04 3kit n GLY 44 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3kit n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kit n LEU 45 N 0.00 0.00 -0.03 0.99 0.00 -1.26 -4.90 117.00 111.80 3kit n LEU 45 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 3kit n LEU 45 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 3kit n LEU 45 CO 0.00 0.00 -0.74 1.17 0.00 0.00 0.00 177.39 177.82 3kit n LYS 46 N 0.00 1.25 0.00 1.96 4.81 -1.26 -5.09 118.16 119.82 3kit n LYS 46 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3kit n LYS 46 Cb 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3kit n LYS 46 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3kit n ASP 47 N -2.14 0.00 -0.03 3.14 -0.08 -1.26 -4.90 116.55 111.29 3kit n ASP 47 Ca -0.09 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.17 3kit n ASP 47 Cb 0.56 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.02 3kit n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kit h PRO 48 N 0.00 0.00 0.00 -0.67 0.13 -1.99 -3.51 132.00 125.97 3kit h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kit h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kit h PRO 48 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 3kit n ARG 49 N -3.18 0.00 0.05 0.86 1.74 -1.26 0.12 116.66 114.99 3kit n ARG 49 Ca -0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.85 3kit n ARG 49 Cb 0.08 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.37 3kit n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3kit h ARG 50 N 0.00 0.31 -7.24 5.56 0.11 -1.98 -3.48 114.38 107.66 3kit h ARG 50 Ca 0.00 -0.54 -0.42 0.00 0.10 0.00 0.00 59.98 59.12 3kit h ARG 50 Cb 0.00 0.20 0.20 0.00 1.11 0.00 0.00 29.97 31.48 3kit h ARG 50 CO 0.00 1.26 0.05 -0.06 0.10 0.00 0.00 179.97 181.32 3kit s PHE 51 N -2.45 0.73 0.57 4.08 0.08 0.33 -4.74 117.98 116.58 3kit s PHE 51 Ca -0.14 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.66 3kit s PHE 51 Cb 0.02 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3kit s PHE 51 CO 0.83 -3.98 0.00 0.39 -0.10 0.00 0.00 175.22 172.36 3kit n GLU 52 N -4.91 -3.27 0.00 0.44 -0.58 -1.26 -4.81 120.64 106.25 3kit n GLU 52 Ca 0.09 2.64 0.00 0.00 -0.42 0.00 0.00 57.16 59.47 3kit n GLU 52 Cb 0.58 -3.68 0.00 0.00 -0.57 0.00 0.00 31.44 27.77 3kit n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kit n GLY 53 N -3.84 4.02 0.00 0.62 0.00 -1.26 -4.61 105.19 100.12 3kit n GLY 53 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kit n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kit n GLY 54 N 0.00 0.87 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.73 3kit n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kit n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kit n ARG 55 N -1.85 3.47 -2.01 1.61 0.63 -1.26 -5.01 116.66 112.25 3kit n ARG 55 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 3kit n ARG 55 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 3kit n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kit n SER 56 N 0.00 6.13 0.00 6.15 7.64 -1.26 -5.02 113.62 127.26 3kit n SER 56 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 3kit n SER 56 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3kit n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kit n THR 57 N -0.63 0.00 0.00 0.44 -2.24 -1.26 -3.12 114.28 107.47 3kit n THR 57 Ca 0.49 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 3kit n THR 57 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3kit n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kit n THR 58 N 0.00 0.00 -1.23 4.28 -1.04 -1.26 -4.96 114.28 110.07 3kit n THR 58 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3kit n THR 58 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 3kit n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kit n LEU 59 N 0.00 2.91 0.12 -4.42 0.00 -1.18 -4.49 117.00 109.93 3kit n LEU 59 Ca 0.00 -3.36 -0.24 0.00 0.00 0.00 0.00 56.01 52.41 3kit n LEU 59 Cb 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 43.42 42.77 3kit n LEU 59 CO 0.00 0.94 -0.33 0.24 0.00 0.00 0.00 177.39 178.24 3kit h MET 60 N 0.67 0.48 -6.75 1.96 2.86 -1.93 -3.45 114.93 108.76 3kit h MET 60 Ca 0.03 -0.83 -0.55 0.00 -2.06 0.00 0.00 59.70 56.29 3kit h MET 60 Cb 1.16 0.31 0.09 0.00 0.06 0.00 0.00 31.60 33.21 3kit h MET 60 CO 0.09 1.40 0.75 2.89 1.06 0.00 0.00 176.91 183.09 3kit n ARG 61 N -3.70 2.46 -3.28 1.72 -4.01 -1.26 -5.00 116.66 103.59 3kit n ARG 61 Ca -0.20 0.87 -0.18 0.00 -1.04 0.00 0.00 57.85 57.30 3kit n ARG 61 Cb 1.08 -2.59 -0.00 0.00 -3.04 0.00 0.00 32.46 27.91 3kit n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 3kit s LEU 62 N -0.59 3.76 -1.20 2.89 2.34 -1.26 -5.05 118.68 119.57 3kit s LEU 62 Ca 0.63 -0.36 -0.13 0.00 0.06 0.00 0.00 54.13 54.33 3kit s LEU 62 Cb -0.54 -2.62 0.18 0.00 -0.56 0.00 0.00 46.19 42.65 3kit s LEU 62 CO 0.52 -0.60 1.41 -0.81 -1.06 0.00 0.00 176.35 175.81 3kit n PRO 63 N -1.71 3.39 0.00 1.48 -0.04 -1.26 -4.68 135.00 132.18 3kit n PRO 63 Ca 0.04 -3.92 0.12 0.00 -0.04 0.00 0.00 63.50 59.71 3kit n PRO 63 Cb 0.59 -2.99 0.68 0.00 -0.04 0.00 0.00 33.50 31.74 3kit n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kit n LYS 64 N 5.29 0.53 -0.71 0.54 0.00 -1.26 -3.28 118.16 119.28 3kit n LYS 64 Ca 0.35 0.03 -0.08 0.00 0.00 0.00 0.00 58.31 58.62 3kit n LYS 64 Cb 0.42 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.84 3kit n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kit n ARG 65 N -1.18 1.42 -0.35 1.64 0.63 -1.26 -4.85 116.66 112.70 3kit n ARG 65 Ca 0.15 -0.68 -0.29 0.00 -0.92 0.00 0.00 57.85 56.10 3kit n ARG 65 Cb 0.16 -1.81 0.28 0.00 0.45 0.00 0.00 32.46 31.54 3kit n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kit n GLY 66 N 2.56 -2.97 2.20 5.14 0.00 -1.20 -4.56 105.19 106.36 3kit n GLY 66 Ca 0.29 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 3kit n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kit n MET 67 N -5.40 -1.20 -0.05 1.61 0.00 -1.26 -5.00 117.12 105.82 3kit n MET 67 Ca 0.07 1.32 0.02 0.00 -0.00 0.00 0.00 57.70 59.11 3kit n MET 67 Cb 0.57 -3.67 0.04 0.00 0.00 0.00 0.00 33.22 30.17 3kit n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3kit n GLN 68 N -0.46 2.37 0.00 2.12 6.02 -1.26 -5.09 117.38 121.08 3kit n GLN 68 Ca 0.06 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 3kit n GLN 68 Cb 0.25 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.43 3kit n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kit n GLY 69 N -0.10 3.00 0.00 1.08 0.00 -1.26 -5.12 105.19 102.79 3kit n GLY 69 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3kit n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kit n GLN 70 N 0.84 1.01 -0.01 1.61 -0.06 -1.26 -5.01 117.38 114.49 3kit n GLN 70 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 3kit n GLN 70 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 3kit n GLN 70 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3kit h VAL 71 N -0.09 0.82 0.00 1.69 3.04 -2.03 -3.34 116.25 116.34 3kit h VAL 71 Ca 0.00 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.35 3kit h VAL 71 Cb 0.00 2.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3kit h VAL 71 CO 0.00 0.73 0.00 -2.65 -1.01 0.00 0.00 177.57 174.64 3kit n PRO 72 N -3.80 0.04 0.00 4.17 -0.02 -1.26 -4.94 135.00 129.19 3kit n PRO 72 Ca -0.29 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3kit n PRO 72 Cb 0.94 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 3kit n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kit n GLY 73 N -0.79 -0.35 3.73 -1.23 0.00 -1.26 -5.04 105.19 100.26 3kit n GLY 73 Ca 0.01 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 3kit n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kit s GLU 74 N 0.00 1.87 -0.16 1.61 -1.05 -1.26 -4.66 118.70 115.05 3kit s GLU 74 Ca 0.00 1.35 -0.20 0.00 -0.15 0.00 0.00 54.97 55.97 3kit s GLU 74 Cb 0.00 -1.84 -0.03 0.00 -0.44 0.00 0.00 34.13 31.82 3kit s GLU 74 CO 0.00 -1.96 0.59 0.42 0.95 0.00 0.00 175.26 175.26 3kit s ILE 75 N -2.72 5.07 -0.43 1.83 1.09 -1.26 -5.00 121.20 119.78 3kit s ILE 75 Ca 0.64 1.15 -0.27 0.00 -1.10 0.00 0.00 60.65 61.07 3kit s ILE 75 Cb -0.20 -3.92 -0.05 0.00 -1.06 0.00 0.00 42.46 37.23 3kit s ILE 75 CO 0.55 0.18 2.25 -0.75 -0.10 0.00 0.00 174.94 177.08 3kit s LYS 76 N 1.47 2.50 -0.02 2.79 2.47 -1.26 -4.91 119.74 122.78 3kit s LYS 76 Ca 0.29 1.47 -0.05 0.00 -1.56 0.00 0.00 55.97 56.12 3kit s LYS 76 Cb -0.16 -4.48 0.00 0.00 -1.46 0.00 0.00 37.83 31.73 3kit s LYS 76 CO 0.11 -2.83 0.11 -0.98 0.16 0.00 0.00 175.35 171.92 3kit s ARG 77 N 7.47 0.29 0.06 4.03 1.70 -1.26 -5.13 118.95 126.12 3kit s ARG 77 Ca 0.93 -0.16 -0.31 0.00 -0.47 0.00 0.00 55.73 55.73 3kit s ARG 77 Cb -0.21 0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.20 3kit s ARG 77 CO 0.28 -0.06 1.90 -0.35 -1.08 0.00 0.00 175.30 176.00 3kit n PRO 78 N 2.22 2.77 -4.22 3.89 -0.04 -1.26 -5.02 135.00 133.34 3kit n PRO 78 Ca -0.18 1.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.95 3kit n PRO 78 Cb 0.57 -2.93 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 3kit n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kit s ARG 79 N 3.64 3.04 -0.16 0.54 1.70 -1.26 -5.06 118.95 121.40 3kit s ARG 79 Ca 0.86 -0.41 -0.06 0.00 -0.47 0.00 0.00 55.73 55.65 3kit s ARG 79 Cb -0.48 -2.85 -0.04 0.00 -0.57 0.00 0.00 34.95 31.01 3kit s ARG 79 CO 0.41 0.69 0.04 0.71 -1.08 0.00 0.00 175.30 176.07 3kit s TYR 80 N -1.01 3.23 -0.34 5.89 2.02 -1.26 -3.11 117.35 122.77 3kit s TYR 80 Ca 0.17 0.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.84 3kit s TYR 80 Cb -0.12 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 3kit s TYR 80 CO 0.06 0.19 0.15 -1.14 -1.57 0.00 0.00 175.55 173.25 3kit s GLN 81 N 0.15 2.91 0.30 -0.62 2.00 0.14 -4.95 119.66 119.59 3kit s GLN 81 Ca 0.04 -1.00 -0.23 0.00 -2.00 0.00 0.00 55.36 52.16 3kit s GLN 81 Cb -0.12 -3.57 -0.09 0.00 0.80 0.00 0.00 33.01 30.02 3kit s GLN 81 CO 0.01 -0.59 0.86 0.20 -0.50 0.00 0.00 175.29 175.27 3kit s GLY 82 N 1.52 2.69 -0.07 2.59 0.00 -1.26 -2.16 107.32 110.63 3kit s GLY 82 Ca 0.02 0.38 -0.03 0.00 0.00 0.00 0.00 44.72 45.08 3kit s GLY 82 CO 0.05 0.77 0.14 0.54 0.00 0.00 0.00 173.10 174.60 3kit s VAL 83 N -1.63 -0.17 0.29 1.40 0.11 -1.14 -4.92 120.40 114.34 3kit s VAL 83 Ca 0.49 0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 3kit s VAL 83 Cb -0.17 -0.25 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 3kit s VAL 83 CO 0.22 0.13 1.12 0.20 -3.33 0.00 0.00 175.10 173.44 3kit s ASN 84 N 1.87 7.20 0.14 3.54 0.02 -1.22 -2.53 114.94 123.96 3kit s ASN 84 Ca -0.01 2.32 0.11 0.00 -1.02 0.00 0.00 52.86 54.25 3kit s ASN 84 Cb -0.12 -2.63 0.55 0.00 0.02 0.00 0.00 41.25 39.08 3kit s ASN 84 CO -0.05 -0.19 1.33 0.00 0.02 0.00 0.00 177.10 178.21 3kit n LEU 85 N 1.12 0.25 0.06 0.60 -0.00 -1.01 -0.35 117.00 117.67 3kit n LEU 85 Ca -0.01 0.61 0.03 0.00 -0.00 0.00 0.00 56.01 56.64 3kit n LEU 85 Cb 0.44 -0.63 0.42 0.00 -0.00 0.00 0.00 43.42 43.66 3kit n LEU 85 CO 0.54 -0.65 1.05 0.50 -0.00 0.00 0.00 177.39 178.84 3kit h LYS 86 N 0.00 0.41 0.10 1.47 3.64 -1.72 -1.73 116.57 118.74 3kit h LYS 86 Ca 0.00 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.06 3kit h LYS 86 Cb 0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3kit h LYS 86 CO 0.00 0.35 -1.31 -0.44 -2.27 0.00 0.00 179.45 175.78 3kit h ASP 87 N 0.41 0.33 -0.74 4.20 3.32 -1.00 -3.33 116.42 119.62 3kit h ASP 87 Ca 0.10 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.78 3kit h ASP 87 Cb 0.10 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3kit h ASP 87 CO -0.01 1.32 0.49 -0.07 -1.72 0.00 0.00 179.24 179.25 3kit h LEU 88 N 0.06 0.83 -0.19 1.55 4.07 -1.31 -3.05 115.31 117.27 3kit h LEU 88 Ca -0.15 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3kit h LEU 88 Cb 1.96 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.49 3kit h LEU 88 CO 0.18 0.59 0.57 0.00 -1.08 0.00 0.00 178.44 178.69 3kit n ALA 89 N -2.42 0.18 -0.12 1.53 0.00 -0.86 -2.40 120.51 116.41 3kit n ALA 89 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kit n ALA 89 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3kit n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kit n ARG 90 N -1.64 0.00 -3.05 0.00 0.63 -1.15 -4.83 116.66 106.62 3kit n ARG 90 Ca -0.00 0.44 -0.36 0.00 -0.92 0.00 0.00 57.85 57.01 3kit n ARG 90 Cb 0.57 -1.28 -0.06 0.00 0.45 0.00 0.00 32.46 32.14 3kit n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3kit s PHE 91 N -2.17 3.62 -0.06 -0.14 -0.71 -1.01 -5.08 117.98 112.43 3kit s PHE 91 Ca 0.00 1.43 0.04 0.00 -1.04 0.00 0.00 56.93 57.36 3kit s PHE 91 Cb 0.00 -2.66 -0.02 0.00 -1.21 0.00 0.00 43.02 39.13 3kit s PHE 91 CO 0.00 0.28 -0.18 -2.00 -1.34 0.00 0.00 175.22 171.99 3kit s GLU 92 N -2.11 2.58 0.00 1.99 2.12 -1.26 -5.00 118.70 117.02 3kit s GLU 92 Ca 0.46 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3kit s GLU 92 Cb -0.16 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.90 3kit s GLU 92 CO 0.21 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.85 3kit n GLY 93 N 2.62 0.55 3.22 -1.50 0.00 -1.26 -5.03 105.19 103.79 3kit n GLY 93 Ca -0.17 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3kit n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kit s GLU 94 N 0.00 2.59 -0.17 1.61 2.12 -1.26 -3.84 118.70 119.76 3kit s GLU 94 Ca 0.00 -1.17 -0.16 0.00 0.36 0.00 0.00 54.97 54.00 3kit s GLU 94 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 3kit s GLU 94 CO 0.00 -0.59 0.42 0.14 -0.54 0.00 0.00 175.26 174.69 3kit s VAL 95 N 1.32 5.21 0.03 3.70 -7.23 -0.80 -5.02 120.40 117.60 3kit s VAL 95 Ca -0.03 0.78 0.03 0.00 -1.81 0.00 0.00 61.98 60.96 3kit s VAL 95 Cb -0.19 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 32.98 3kit s VAL 95 CO -0.00 0.29 -0.10 0.42 -0.31 0.00 0.00 175.10 175.40 3kit s THR 96 N 0.96 0.79 -0.41 5.32 -4.23 -1.26 -0.89 115.64 115.92 3kit s THR 96 Ca 0.21 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 3kit s THR 96 Cb -0.15 -0.74 -0.06 0.00 1.34 0.00 0.00 72.50 72.89 3kit s THR 96 CO 0.08 -0.09 2.27 -2.84 -0.54 0.00 0.00 174.62 173.50 3kit s PRO 97 N -1.05 2.53 0.00 3.99 0.02 -1.25 0.06 135.00 139.30 3kit s PRO 97 Ca -0.02 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3kit s PRO 97 Cb -0.07 -4.48 0.00 0.00 0.02 0.00 0.00 34.50 29.97 3kit s PRO 97 CO 0.01 -2.79 0.00 -0.85 -0.33 0.00 0.00 177.00 173.03 3kit n GLU 98 N 8.92 0.00 0.12 5.54 -0.00 -1.26 -4.87 120.64 129.08 3kit n GLU 98 Ca 0.32 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.51 3kit n GLU 98 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.96 3kit n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3kit h LEU 99 N 0.00 0.00 0.03 -1.84 6.46 -0.75 -2.80 115.31 116.41 3kit h LEU 99 Ca 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3kit h LEU 99 Cb 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3kit h LEU 99 CO 0.00 0.46 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.95 3kit h LEU 100 N 0.00 0.18 -0.68 2.25 -0.00 -1.83 -3.26 115.31 111.98 3kit h LEU 100 Ca -0.04 -0.88 0.13 0.00 -0.00 0.00 0.00 57.88 57.08 3kit h LEU 100 Cb 1.39 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 41.90 3kit h LEU 100 CO 0.05 1.05 0.19 -0.37 -0.00 0.00 0.00 178.44 179.36 3kit h VAL 101 N -0.66 0.62 0.00 1.22 -1.51 -1.52 0.20 116.25 114.60 3kit h VAL 101 Ca -0.04 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 3kit h VAL 101 Cb 1.11 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3kit h VAL 101 CO 0.05 0.06 -0.00 -1.14 -1.23 0.00 0.00 177.57 175.31 3kit n ARG 102 N -5.09 0.64 0.00 5.19 0.63 -1.06 -4.42 116.66 112.56 3kit n ARG 102 Ca 0.12 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3kit n ARG 102 Cb 0.38 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3kit n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kit n ALA 103 N 1.78 0.00 -1.00 5.13 0.00 0.12 -4.98 120.51 121.56 3kit n ALA 103 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kit n ALA 103 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3kit n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 104 N 0.00 -3.15 0.71 0.00 0.00 0.49 -5.01 105.19 98.22 3kit n GLY 104 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 3kit n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kit n LEU 105 N 0.00 0.00 0.00 0.99 4.32 -1.25 -4.66 117.00 116.39 3kit n LEU 105 Ca 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 3kit n LEU 105 Cb 0.00 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 3kit n LEU 105 CO 0.00 -0.86 0.00 -0.11 -1.22 0.00 0.00 177.39 175.20 3kit n LEU 106 N 0.00 0.00 -3.06 2.23 7.94 -1.26 -2.43 117.00 120.42 3kit n LEU 106 Ca 0.03 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3kit n LEU 106 Cb 0.11 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.06 3kit n LEU 106 CO 0.08 0.00 -0.33 2.29 -1.11 0.00 0.00 177.39 178.32 3kit n LYS 107 N 0.00 -1.32 -0.10 1.96 2.85 -1.26 -2.61 118.16 117.67 3kit n LYS 107 Ca 0.00 1.36 0.00 0.00 -1.05 0.00 0.00 58.31 58.62 3kit n LYS 107 Cb 0.00 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.70 3kit n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kit n LYS 108 N 1.74 0.00 0.00 -1.58 4.01 -1.26 -4.60 118.16 116.47 3kit n LYS 108 Ca -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3kit n LYS 108 Cb 0.28 -2.13 0.00 0.00 -0.51 0.00 0.00 35.03 32.66 3kit n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kit n GLY 109 N -0.62 -0.04 2.27 0.72 0.00 -1.07 -4.87 105.19 101.58 3kit n GLY 109 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kit n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kit n TYR 110 N -0.34 -2.85 0.00 1.61 9.36 -1.26 -4.44 117.16 119.24 3kit n TYR 110 Ca 0.00 0.99 0.00 0.00 3.32 0.00 0.00 57.90 62.21 3kit n TYR 110 Cb 0.00 -1.80 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 3kit n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kit n ARG 111 N -2.87 0.00 -3.68 2.98 1.74 -1.18 -4.11 116.66 109.54 3kit n ARG 111 Ca 0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 3kit n ARG 111 Cb 0.36 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.72 3kit n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kit s LEU 112 N 0.00 4.19 -0.47 0.55 1.98 -1.26 -0.68 118.68 122.99 3kit s LEU 112 Ca 0.00 0.26 0.03 0.00 -2.89 0.00 0.00 54.13 51.53 3kit s LEU 112 Cb 0.00 -2.15 0.13 0.00 0.66 0.00 0.00 46.19 44.83 3kit s LEU 112 CO 0.00 0.14 0.23 -0.75 -1.89 0.00 0.00 176.35 174.08 3kit s LYS 113 N 0.55 1.64 -0.10 1.98 2.20 -0.92 -1.06 119.74 124.03 3kit s LYS 113 Ca 0.10 -2.29 -0.29 0.00 -0.36 0.00 0.00 55.97 53.12 3kit s LYS 113 Cb -0.12 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 3kit s LYS 113 CO 0.00 -1.12 1.55 -1.50 -0.36 0.00 0.00 175.35 173.93 3kit s ILE 114 N 0.08 3.78 0.04 5.43 1.10 -0.63 -2.87 121.20 128.13 3kit s ILE 114 Ca 0.17 0.93 0.01 0.00 -0.51 0.00 0.00 60.65 61.25 3kit s ILE 114 Cb -0.25 -3.63 -0.00 0.00 0.15 0.00 0.00 42.46 38.73 3kit s ILE 114 CO -0.01 -0.11 0.04 0.00 -2.11 0.00 0.00 174.94 172.75 3kit n LEU 115 N 7.16 0.00 0.00 8.50 -0.00 -1.05 -3.03 117.00 128.58 3kit n LEU 115 Ca 0.17 -0.41 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 3kit n LEU 115 Cb 0.44 0.23 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3kit n LEU 115 CO 0.61 -0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.54 3kit n GLY 116 N -0.08 3.04 3.94 1.47 0.00 -1.26 -2.41 105.19 109.88 3kit n GLY 116 Ca 0.01 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 3kit n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 117 N -2.04 2.97 0.00 1.61 2.02 -1.26 -4.62 118.70 117.38 3kit s GLU 117 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.87 3kit s GLU 117 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3kit s GLU 117 CO 0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.77 3kit n GLY 118 N -1.54 1.15 3.76 -1.39 0.00 -1.26 -2.25 105.19 103.66 3kit n GLY 118 Ca -0.01 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3kit n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kit s GLU 119 N -3.33 3.56 0.89 1.61 0.41 -1.26 -4.73 118.70 115.85 3kit s GLU 119 Ca 0.00 2.21 -0.10 0.00 -0.41 0.00 0.00 54.97 56.67 3kit s GLU 119 Cb 0.00 -2.50 0.20 0.00 -1.78 0.00 0.00 34.13 30.04 3kit s GLU 119 CO 0.00 -0.84 1.21 0.00 -0.49 0.00 0.00 175.26 175.14 3kit n ALA 120 N -0.46 -0.86 -3.01 5.21 0.00 -1.26 -4.67 120.51 115.47 3kit n ALA 120 Ca 0.07 -1.84 -0.12 0.00 0.00 0.00 0.00 53.44 51.55 3kit n ALA 120 Cb 0.44 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 3kit n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kit s LYS 121 N -5.62 0.19 -0.93 0.00 1.02 -1.26 -5.05 119.74 108.09 3kit s LYS 121 Ca 0.72 0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.50 3kit s LYS 121 Cb -0.03 0.08 -0.24 0.00 -0.52 0.00 0.00 37.83 37.13 3kit s LYS 121 CO 0.50 -0.03 2.01 -2.30 -0.92 0.00 0.00 175.35 174.61 3kit n PRO 122 N 2.75 0.08 -3.53 -1.68 -0.02 -1.16 -4.70 135.00 126.73 3kit n PRO 122 Ca -0.14 -1.55 -0.18 0.00 -2.02 0.00 0.00 63.50 59.61 3kit n PRO 122 Cb 0.59 -3.67 -0.06 0.00 -0.02 0.00 0.00 33.50 30.34 3kit n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kit s LEU 123 N 14.94 -0.66 -0.02 2.45 0.05 -1.24 -4.89 118.68 129.32 3kit s LEU 123 Ca 0.77 0.75 -0.30 0.00 0.05 0.00 0.00 54.13 55.40 3kit s LEU 123 Cb -0.03 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.59 3kit s LEU 123 CO 0.20 -0.58 1.16 -0.54 -0.55 0.00 0.00 176.35 176.03 3kit s LYS 124 N -1.09 4.41 -0.16 1.48 -0.14 -1.25 -2.77 119.74 120.21 3kit s LYS 124 Ca -0.10 1.64 0.00 0.00 -1.36 0.00 0.00 55.97 56.16 3kit s LYS 124 Cb -0.00 -3.48 0.03 0.00 -1.68 0.00 0.00 37.83 32.69 3kit s LYS 124 CO 0.09 -0.33 -0.13 0.14 -0.76 0.00 0.00 175.35 174.36 3kit s VAL 125 N 1.72 1.60 0.24 3.17 -7.23 -1.26 -1.91 120.40 116.73 3kit s VAL 125 Ca 0.56 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.88 3kit s VAL 125 Cb -0.25 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.07 3kit s VAL 125 CO 0.24 0.38 0.56 -0.69 -0.31 0.00 0.00 175.10 175.29 3kit s VAL 126 N 1.46 4.92 0.07 1.32 1.01 -0.07 -3.43 120.40 125.67 3kit s VAL 126 Ca 0.03 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 3kit s VAL 126 Cb -0.14 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.67 3kit s VAL 126 CO -0.10 -0.10 0.78 0.00 0.00 0.00 0.00 175.10 175.68 3kit n ALA 127 N -0.22 -2.11 0.47 5.51 0.00 -0.78 -3.91 120.51 119.47 3kit n ALA 127 Ca 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 53.44 52.87 3kit n ALA 127 Cb 0.53 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 3kit n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kit n HIS 128 N -0.55 0.00 -3.60 0.00 8.25 -0.22 -4.15 115.22 114.94 3kit n HIS 128 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3kit n HIS 128 Cb 0.40 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.36 3kit n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kit s ALA 129 N -2.57 -2.01 0.09 -1.41 0.00 -1.14 -4.62 121.76 110.11 3kit s ALA 129 Ca 0.02 1.70 0.04 0.00 0.00 0.00 0.00 51.96 53.71 3kit s ALA 129 Cb 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3kit s ALA 129 CO 0.60 -0.30 -0.10 -0.06 0.00 0.00 0.00 175.76 175.90 3kit s PHE 130 N -1.17 1.05 0.42 0.00 0.08 -1.26 -1.61 117.98 115.49 3kit s PHE 130 Ca 0.03 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.39 3kit s PHE 130 Cb -0.01 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 3kit s PHE 130 CO -0.03 0.00 0.73 -1.54 -0.10 0.00 0.00 175.22 174.29 3kit s SER 131 N -2.30 6.39 0.09 1.36 1.04 -1.17 -4.90 113.70 114.22 3kit s SER 131 Ca 0.03 0.95 -0.36 0.00 0.48 0.00 0.00 55.95 57.05 3kit s SER 131 Cb -0.04 -2.25 -0.16 0.00 0.10 0.00 0.00 66.02 63.67 3kit s SER 131 CO 0.00 -0.44 1.56 0.11 0.98 0.00 0.00 173.24 175.46 3kit h LYS 132 N 0.86 -0.87 -0.69 4.02 1.57 -1.99 -0.44 116.57 119.03 3kit h LYS 132 Ca -0.47 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3kit h LYS 132 Cb 1.20 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 3kit h LYS 132 CO 0.63 -0.58 -0.24 1.03 -0.57 0.00 0.00 179.45 179.72 3kit h SER 133 N -0.91 -0.87 -0.12 0.86 0.87 -1.97 -2.00 113.55 109.41 3kit h SER 133 Ca -0.04 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3kit h SER 133 Cb 0.83 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3kit h SER 133 CO -0.16 -0.26 0.01 0.00 -0.53 0.00 0.00 176.83 175.88 3kit h ALA 134 N 1.46 0.17 -1.09 6.23 0.00 -1.75 -2.60 119.26 121.67 3kit h ALA 134 Ca 0.31 -0.17 0.31 0.00 0.00 0.00 0.00 54.91 55.35 3kit h ALA 134 Cb 0.54 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 3kit h ALA 134 CO -0.73 -0.15 0.68 1.25 0.00 0.00 0.00 179.25 180.30 3kit h LEU 135 N -0.04 0.44 0.42 0.00 7.12 -0.39 0.33 115.31 123.19 3kit h LEU 135 Ca 0.04 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 3kit h LEU 135 Cb 0.33 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 3kit h LEU 135 CO 0.00 -0.00 -0.20 -0.33 -0.13 0.00 0.00 178.44 177.78 3kit h GLU 136 N 0.34 -0.54 0.00 1.25 4.39 -1.01 -1.27 114.58 117.74 3kit h GLU 136 Ca 0.67 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 3kit h GLU 136 Cb 1.73 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.50 3kit h GLU 136 CO -0.39 -0.30 -0.07 0.87 -1.16 0.00 0.00 179.01 177.96 3kit h LYS 137 N -0.68 0.00 0.00 2.33 1.57 -0.79 -1.91 116.57 117.10 3kit h LYS 137 Ca -0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3kit h LYS 137 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3kit h LYS 137 CO 0.09 0.07 -1.08 1.25 -0.57 0.00 0.00 179.45 179.21 3kit h LEU 138 N 0.00 0.00 -1.76 2.94 5.85 -1.16 -3.27 115.31 117.91 3kit h LEU 138 Ca -0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3kit h LEU 138 Cb 0.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3kit h LEU 138 CO 0.01 0.49 0.43 0.50 -0.34 0.00 0.00 178.44 179.53 3kit h LYS 139 N 0.00 0.24 -3.87 1.25 3.64 -0.38 -2.08 116.57 115.37 3kit h LYS 139 Ca -0.10 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.66 3kit h LYS 139 Cb 1.46 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.23 3kit h LYS 139 CO 0.05 0.16 2.87 0.00 -2.27 0.00 0.00 179.45 180.25 3kit n ALA 140 N -2.57 4.96 -1.14 5.00 0.00 -1.23 -4.32 120.51 121.20 3kit n ALA 140 Ca 0.12 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.33 3kit n ALA 140 Cb 0.53 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.55 3kit n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kit n ALA 141 N 5.73 -1.23 -3.00 0.00 0.00 -1.12 -4.76 120.51 116.13 3kit n ALA 141 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3kit n ALA 141 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3kit n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kit n GLY 142 N -0.73 2.73 3.80 0.00 0.00 -0.80 -3.01 105.19 107.18 3kit n GLY 142 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 3kit n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kit s GLY 143 N -0.07 2.09 0.00 -0.02 0.00 -1.12 -4.81 107.32 103.40 3kit s GLY 143 Ca 0.00 -1.90 0.22 0.00 0.00 0.00 0.00 44.72 43.04 3kit s GLY 143 CO 0.00 -1.75 1.14 -2.21 0.00 0.00 0.00 173.10 170.28 3kit n GLU 144 N -1.34 0.00 -1.63 2.90 2.13 -1.26 -4.66 120.64 116.77 3kit n GLU 144 Ca -0.00 -1.84 -0.43 0.00 0.66 0.00 0.00 57.16 55.55 3kit n GLU 144 Cb 0.62 -0.05 -0.03 0.00 0.27 0.00 0.00 31.44 32.25 3kit n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kit s PRO 145 N 0.00 3.37 0.00 5.31 0.02 -1.22 -4.84 135.00 137.64 3kit s PRO 145 Ca 0.29 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3kit s PRO 145 Cb 0.33 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.53 3kit s PRO 145 CO -0.14 -1.84 0.00 1.55 -0.33 0.00 0.00 177.00 176.24 3kit n VAL 146 N 7.23 0.00 0.00 3.83 3.14 -1.26 -1.87 118.33 129.40 3kit n VAL 146 Ca 0.27 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 3kit n VAL 146 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 3kit n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kit n LEU 147 N 0.00 0.00 -0.99 6.55 7.94 -1.26 -4.79 117.00 124.45 3kit n LEU 147 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3kit n LEU 147 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3kit n LEU 147 CO 0.00 0.00 -0.33 0.18 -1.11 0.00 0.00 177.39 176.13 3kit n LEU 148 N 0.00 -0.53 -0.19 -1.96 4.77 -1.26 -4.85 117.00 112.98 3kit n LEU 148 Ca 0.00 1.24 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 3kit n LEU 148 Cb 0.00 -2.31 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 3kit n LEU 148 CO 0.00 -1.08 0.00 -0.62 -1.33 0.00 0.00 177.39 174.36 3kit n GLU 149 N -3.69 0.00 0.00 3.23 -0.58 -1.26 -5.08 120.64 113.25 3kit n GLU 149 Ca -0.05 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3kit n GLU 149 Cb 0.35 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 3kit n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65