#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s GLN 4 N 0.00 1.50 -0.01 3.52 1.03 -1.26 -4.50 119.66 119.94 3kc4 s GLN 4 Ca 0.00 -0.76 -0.02 0.00 0.04 0.00 0.00 55.36 54.63 3kc4 s GLN 4 Cb 0.00 0.56 0.00 0.00 0.03 0.00 0.00 33.01 33.60 3kc4 s GLN 4 CO 0.00 -0.68 0.04 -0.47 -2.54 0.00 0.00 175.29 171.64 3kc4 s TYR 5 N -3.73 -0.02 0.20 9.60 6.04 -1.26 -4.89 117.35 123.28 3kc4 s TYR 5 Ca 0.08 0.07 0.08 0.00 0.04 0.00 0.00 57.07 57.34 3kc4 s TYR 5 Cb -0.04 -0.00 -0.04 0.00 -1.04 0.00 0.00 41.96 40.84 3kc4 s TYR 5 CO -0.00 -0.05 -0.00 -0.47 -1.54 0.00 0.00 175.55 173.49 3kc4 s TYR 6 N -0.14 2.80 -0.30 4.97 6.14 -1.26 -4.50 117.35 125.06 3kc4 s TYR 6 Ca -0.02 -0.16 -0.15 0.00 0.64 0.00 0.00 57.07 57.38 3kc4 s TYR 6 Cb -0.01 -1.33 0.18 0.00 0.42 0.00 0.00 41.96 41.21 3kc4 s TYR 6 CO 0.00 0.54 1.10 0.20 0.64 0.00 0.00 175.55 178.02 3kc4 s GLY 7 N -3.11 -0.14 0.01 8.97 0.00 -1.25 -5.06 107.32 106.73 3kc4 s GLY 7 Ca 0.28 3.07 0.00 0.00 0.00 0.00 0.00 44.72 48.07 3kc4 s GLY 7 CO 0.19 3.56 0.00 -1.30 0.00 0.00 0.00 173.10 175.55 3kc4 n THR 8 N 5.13 0.00 0.00 0.90 -2.24 -1.26 -3.83 114.28 112.98 3kc4 n THR 8 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3kc4 n THR 8 Cb 0.54 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3kc4 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc4 n GLY 9 N -0.13 -0.32 3.12 3.38 0.00 -0.63 -4.26 105.19 106.34 3kc4 n GLY 9 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kc4 n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kc4 s ARG 10 N 0.00 2.01 -0.07 1.61 0.52 -1.25 -0.63 118.95 121.13 3kc4 s ARG 10 Ca 0.00 -1.84 -0.03 0.00 -0.52 0.00 0.00 55.73 53.34 3kc4 s ARG 10 Cb 0.00 -3.59 0.04 0.00 0.52 0.00 0.00 34.95 31.93 3kc4 s ARG 10 CO 0.00 -1.08 0.11 0.50 0.02 0.00 0.00 175.30 174.85 3kc4 s ARG 11 N 1.11 -0.01 0.00 3.54 6.06 0.17 -4.90 118.95 124.91 3kc4 s ARG 11 Ca 0.09 0.42 0.00 0.00 -2.50 0.00 0.00 55.73 53.73 3kc4 s ARG 11 Cb -0.23 -0.53 0.00 0.00 0.06 0.00 0.00 34.95 34.26 3kc4 s ARG 11 CO -0.04 -0.35 0.00 1.17 -2.50 0.00 0.00 175.30 173.57 3kc4 n LYS 12 N 5.31 0.00 -0.54 5.12 4.81 -1.26 -3.52 118.16 128.08 3kc4 n LYS 12 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3kc4 n LYS 12 Cb 0.50 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.34 3kc4 n LYS 12 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3kc4 n SER 13 N -1.14 0.00 -4.30 3.14 7.64 -1.26 -1.54 113.62 116.16 3kc4 n SER 13 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3kc4 n SER 13 Cb 0.39 -0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 3kc4 n SER 13 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kc4 s SER 14 N -2.91 4.14 -0.02 6.43 0.01 -1.23 -3.80 113.70 116.32 3kc4 s SER 14 Ca 0.00 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.90 3kc4 s SER 14 Cb 0.00 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 3kc4 s SER 14 CO 0.00 0.01 -0.16 0.00 0.41 0.00 0.00 173.24 173.49 3kc4 s ALA 15 N 1.31 2.60 -0.08 1.44 0.00 -1.26 -0.65 121.76 125.12 3kc4 s ALA 15 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 3kc4 s ALA 15 Cb -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.14 3kc4 s ALA 15 CO -0.03 0.56 -0.02 0.00 0.00 0.00 0.00 175.76 176.27 3kc4 s ALA 16 N -0.79 0.83 0.74 0.00 0.00 0.20 -3.05 121.76 119.68 3kc4 s ALA 16 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 3kc4 s ALA 16 Cb -0.11 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3kc4 s ALA 16 CO 0.02 -0.38 1.20 1.03 0.00 0.00 0.00 175.76 177.62 3kc4 s ARG 17 N 1.76 2.13 -0.14 0.00 0.52 -1.06 -4.37 118.95 117.79 3kc4 s ARG 17 Ca 0.03 1.71 -0.04 0.00 -0.52 0.00 0.00 55.73 56.91 3kc4 s ARG 17 Cb -0.13 -1.84 0.06 0.00 0.52 0.00 0.00 34.95 33.57 3kc4 s ARG 17 CO -0.05 -1.83 0.18 0.08 0.02 0.00 0.00 175.30 173.70 3kc4 s VAL 18 N -2.06 -0.27 -0.16 3.52 1.01 -1.26 -4.15 120.40 117.03 3kc4 s VAL 18 Ca 0.73 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3kc4 s VAL 18 Cb -0.28 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kc4 s VAL 18 CO 0.46 -0.02 -0.20 -0.36 0.00 0.00 0.00 175.10 174.98 3kc4 s PHE 19 N 2.29 2.75 -0.19 5.22 2.99 -0.84 -4.57 117.98 125.63 3kc4 s PHE 19 Ca 0.04 -1.45 -0.22 0.00 0.00 0.00 0.00 56.93 55.30 3kc4 s PHE 19 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 43.02 40.97 3kc4 s PHE 19 CO -0.08 -0.70 0.69 0.42 -0.00 0.00 0.00 175.22 175.55 3kc4 s ILE 20 N 1.08 4.98 0.15 0.64 1.01 -1.26 -3.13 121.20 124.67 3kc4 s ILE 20 Ca -0.00 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3kc4 s ILE 20 Cb -0.14 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3kc4 s ILE 20 CO -0.07 0.09 0.31 -0.54 0.00 0.00 0.00 174.94 174.72 3kc4 s LYS 21 N 1.98 3.47 0.51 2.79 1.02 -0.90 -4.18 119.74 124.44 3kc4 s LYS 21 Ca 0.31 -0.46 0.16 0.00 0.02 0.00 0.00 55.97 56.00 3kc4 s LYS 21 Cb -0.16 -2.94 1.24 0.00 -0.52 0.00 0.00 37.83 35.46 3kc4 s LYS 21 CO 0.11 0.50 2.14 -1.35 -0.92 0.00 0.00 175.35 175.83 3kc4 h PRO 22 N 2.33 0.01 -6.61 -1.68 0.11 -1.85 -3.41 132.00 120.90 3kc4 h PRO 22 Ca -0.47 -0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.05 3kc4 h PRO 22 Cb 1.18 -0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.42 3kc4 h PRO 22 CO 0.70 0.02 0.16 0.41 -0.21 0.00 0.00 178.00 179.08 3kc4 n GLY 23 N -1.50 -0.22 3.12 -0.55 0.00 -1.26 -4.89 105.19 99.90 3kc4 n GLY 23 Ca -0.03 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3kc4 n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kc4 s ASN 24 N -0.68 -0.08 0.10 1.61 0.01 -1.26 -0.49 114.94 114.15 3kc4 s ASN 24 Ca 0.62 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 3kc4 s ASN 24 Cb -0.59 0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.36 3kc4 s ASN 24 CO 0.58 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.49 3kc4 n GLY 25 N 1.92 -2.87 7.00 0.66 0.00 -1.05 -4.44 105.19 106.41 3kc4 n GLY 25 Ca -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3kc4 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc4 n LYS 26 N -2.08 0.00 -3.15 1.61 4.81 -1.25 -3.32 118.16 114.79 3kc4 n LYS 26 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.49 3kc4 n LYS 26 Cb 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.14 3kc4 n LYS 26 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3kc4 s ILE 27 N 0.00 -0.12 0.18 3.15 2.07 -1.26 -3.88 121.20 121.34 3kc4 s ILE 27 Ca 0.00 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.09 3kc4 s ILE 27 Cb 0.00 -0.77 -0.07 0.00 0.13 0.00 0.00 42.46 41.75 3kc4 s ILE 27 CO 0.00 0.00 0.59 0.68 -1.91 0.00 0.00 174.94 174.30 3kc4 s VAL 28 N 2.98 4.80 -0.24 4.00 -7.23 -0.90 -4.63 120.40 119.18 3kc4 s VAL 28 Ca 0.02 0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 61.05 3kc4 s VAL 28 Cb -0.07 -3.74 0.13 0.00 0.56 0.00 0.00 36.38 33.27 3kc4 s VAL 28 CO -0.12 0.17 0.36 -0.51 -0.31 0.00 0.00 175.10 174.70 3kc4 s ILE 29 N -1.55 -0.56 -1.14 -0.62 2.07 -0.17 -2.98 121.20 116.25 3kc4 s ILE 29 Ca 0.41 -0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.42 3kc4 s ILE 29 Cb -0.15 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.65 3kc4 s ILE 29 CO 0.20 -0.15 0.24 0.59 -1.91 0.00 0.00 174.94 173.91 3kc4 n ASN 30 N 5.36 -1.00 -0.19 4.50 3.02 -0.96 -1.03 115.26 124.95 3kc4 n ASN 30 Ca -0.04 -1.05 -0.02 0.00 -0.03 0.00 0.00 54.58 53.44 3kc4 n ASN 30 Cb 0.50 -1.29 -0.01 0.00 -0.61 0.00 0.00 39.78 38.37 3kc4 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kc4 n GLN 31 N -4.09 -0.43 -2.32 3.52 1.13 -1.26 -4.94 117.38 108.99 3kc4 n GLN 31 Ca -0.19 0.39 -0.03 0.00 -1.94 0.00 0.00 57.00 55.23 3kc4 n GLN 31 Cb 0.52 -3.93 -0.01 0.00 0.11 0.00 0.00 30.24 26.93 3kc4 n GLN 31 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kc4 n ARG 32 N -2.42 0.46 -3.04 -1.09 1.74 -0.20 -5.10 116.66 107.01 3kc4 n ARG 32 Ca -0.02 -0.47 -0.10 0.00 -0.77 0.00 0.00 57.85 56.48 3kc4 n ARG 32 Cb 0.14 0.32 -0.03 0.00 -1.02 0.00 0.00 32.46 31.87 3kc4 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3kc4 n SER 33 N -2.41 0.45 0.25 0.55 7.64 -1.26 -1.00 113.62 117.83 3kc4 n SER 33 Ca 0.00 -1.98 -0.16 0.00 1.01 0.00 0.00 58.87 57.74 3kc4 n SER 33 Cb 0.08 0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 63.79 3kc4 n SER 33 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kc4 h LEU 34 N 0.00 -1.07 -0.36 -3.43 3.38 -1.93 -3.00 115.31 108.89 3kc4 h LEU 34 Ca -0.13 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kc4 h LEU 34 Cb 0.54 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kc4 h LEU 34 CO 0.19 -0.55 0.00 -1.84 0.09 0.00 0.00 178.44 176.34 3kc4 n GLU 35 N -5.49 0.63 0.00 1.13 0.00 -1.26 -2.02 120.64 113.62 3kc4 n GLU 35 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 3kc4 n GLU 35 Cb 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 31.44 30.72 3kc4 n GLU 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3kc4 n GLN 36 N -0.25 2.26 0.00 3.44 6.02 -1.15 -4.82 117.38 122.87 3kc4 n GLN 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kc4 n GLN 36 Cb 0.06 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.50 3kc4 n GLN 36 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kc4 n TYR 37 N -1.00 0.00 -3.80 1.08 -0.00 -0.86 -4.95 117.16 107.64 3kc4 n TYR 37 Ca 0.00 -0.40 -0.13 0.00 -0.00 0.00 0.00 57.90 57.37 3kc4 n TYR 37 Cb 0.04 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 3kc4 n TYR 37 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 3kc4 s PHE 38 N -0.80 -0.24 0.00 2.98 0.40 -1.19 -5.03 117.98 114.11 3kc4 s PHE 38 Ca 0.00 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 3kc4 s PHE 38 Cb 0.00 0.08 0.00 0.00 0.51 0.00 0.00 43.02 43.61 3kc4 s PHE 38 CO 0.00 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.21 3kc4 n GLY 39 N 3.01 -1.63 3.63 4.36 0.00 -1.26 -4.81 105.19 108.48 3kc4 n GLY 39 Ca -0.13 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3kc4 n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kc4 s ARG 40 N -2.80 3.82 0.17 1.61 3.00 -1.26 -4.29 118.95 119.20 3kc4 s ARG 40 Ca 0.00 1.33 -0.09 0.00 -1.00 0.00 0.00 55.73 55.97 3kc4 s ARG 40 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 34.95 31.03 3kc4 s ARG 40 CO 0.00 -1.25 0.44 -1.91 0.00 0.00 0.00 175.30 172.59 3kc4 n GLU 41 N 7.54 0.52 -0.00 5.12 4.07 -1.26 -4.99 120.64 131.63 3kc4 n GLU 41 Ca 0.16 -1.04 -0.22 0.00 -0.06 0.00 0.00 57.16 56.00 3kc4 n GLU 41 Cb 0.46 1.33 -0.14 0.00 -0.06 0.00 0.00 31.44 33.03 3kc4 n GLU 41 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 3kc4 h THR 42 N 1.51 0.92 -0.73 6.31 2.02 -1.98 -3.40 112.91 117.55 3kc4 h THR 42 Ca -0.16 -2.36 0.17 0.00 0.77 0.00 0.00 66.41 64.82 3kc4 h THR 42 Cb 0.63 2.61 -0.12 0.00 -1.74 0.00 0.00 68.15 69.53 3kc4 h THR 42 CO 0.21 0.71 0.05 0.00 0.37 0.00 0.00 175.52 176.86 3kc4 h ALA 43 N -0.07 0.81 -0.90 6.16 0.00 -1.88 -0.28 119.26 123.11 3kc4 h ALA 43 Ca -0.34 0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kc4 h ALA 43 Cb 1.78 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 3kc4 h ALA 43 CO 0.04 -0.41 0.59 0.07 0.00 0.00 0.00 179.25 179.54 3kc4 h ARG 44 N 0.14 1.16 -0.44 0.00 0.11 -1.78 -2.67 114.38 110.90 3kc4 h ARG 44 Ca 0.41 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 60.29 3kc4 h ARG 44 Cb 0.71 -0.26 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 3kc4 h ARG 44 CO -0.61 0.77 -0.24 0.52 0.10 0.00 0.00 179.97 180.51 3kc4 h MET 45 N 1.19 0.90 -0.85 0.08 2.86 -1.44 -3.20 114.93 114.48 3kc4 h MET 45 Ca 0.34 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kc4 h MET 45 Cb -0.10 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 3kc4 h MET 45 CO -0.08 1.04 0.48 0.28 1.06 0.00 0.00 176.91 179.69 3kc4 h VAL 46 N 0.78 1.24 -0.08 -2.22 2.07 -0.78 -2.78 116.25 114.48 3kc4 h VAL 46 Ca 0.10 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kc4 h VAL 46 Cb 0.79 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3kc4 h VAL 46 CO 0.07 0.26 0.00 1.33 0.02 0.00 0.00 177.57 179.25 3kc4 n VAL 47 N -4.40 0.10 -0.02 2.57 0.24 -1.05 -3.21 118.33 112.56 3kc4 n VAL 47 Ca 0.09 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 3kc4 n VAL 47 Cb 0.08 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 3kc4 n VAL 47 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kc4 h ARG 48 N 1.45 -0.07 -0.46 7.34 3.08 -1.58 -3.42 114.38 120.72 3kc4 h ARG 48 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3kc4 h ARG 48 Cb 0.31 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 3kc4 h ARG 48 CO 0.00 0.46 0.12 1.96 -1.07 0.00 0.00 179.97 181.44 3kc4 h GLN 49 N -0.94 0.27 0.00 0.04 7.50 -1.68 -3.25 115.11 117.05 3kc4 h GLN 49 Ca -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3kc4 h GLN 49 Cb 0.56 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.03 3kc4 h GLN 49 CO 0.01 0.18 0.00 -0.35 -1.50 0.00 0.00 178.83 177.17 3kc4 n PRO 50 N -5.06 0.04 0.09 1.46 -0.04 -1.26 -1.63 135.00 128.61 3kc4 n PRO 50 Ca 0.04 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 3kc4 n PRO 50 Cb 0.20 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 3kc4 n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kc4 n LEU 51 N -1.44 0.78 0.05 1.53 4.77 -1.22 -3.05 117.00 118.42 3kc4 n LEU 51 Ca 0.03 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 3kc4 n LEU 51 Cb 0.11 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 3kc4 n LEU 51 CO 0.09 -0.17 0.40 -0.62 -1.33 0.00 0.00 177.39 175.76 3kc4 n GLU 52 N -2.65 0.23 0.19 3.23 1.02 -0.65 -2.91 120.64 119.11 3kc4 n GLU 52 Ca -0.00 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 3kc4 n GLU 52 Cb 0.55 -1.65 0.12 0.00 -0.02 0.00 0.00 31.44 30.44 3kc4 n GLU 52 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kc4 h LEU 53 N 0.00 0.00 -2.12 -4.62 3.38 -1.57 -3.38 115.31 107.00 3kc4 h LEU 53 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kc4 h LEU 53 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kc4 h LEU 53 CO 0.00 0.07 0.00 1.33 0.09 0.00 0.00 178.44 179.93 3kc4 n VAL 54 N -3.04 0.57 -3.49 1.22 0.24 -1.21 -5.06 118.33 107.56 3kc4 n VAL 54 Ca 0.03 -0.58 -0.22 0.00 -2.04 0.00 0.00 64.34 61.54 3kc4 n VAL 54 Cb 0.56 0.73 0.03 0.00 -1.47 0.00 0.00 33.84 33.70 3kc4 n VAL 54 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3kc4 n ASP 55 N -0.28 -6.02 0.00 -1.34 5.68 -1.15 -4.93 116.55 108.52 3kc4 n ASP 55 Ca 0.00 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 3kc4 n ASP 55 Cb 0.35 -3.88 0.00 0.00 -1.14 0.00 0.00 41.12 36.45 3kc4 n ASP 55 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3kc4 n MET 56 N -3.34 3.28 -1.18 0.11 0.00 -1.26 -4.87 117.12 109.86 3kc4 n MET 56 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 3kc4 n MET 56 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.81 3kc4 n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3kc4 n VAL 57 N 0.00 0.00 -0.77 3.17 0.31 -1.26 -4.84 118.33 114.93 3kc4 n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kc4 n VAL 57 Cb 0.00 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3kc4 n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kc4 n GLU 58 N -1.36 0.00 -3.58 5.55 0.00 -1.26 -4.86 120.64 115.12 3kc4 n GLU 58 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 3kc4 n GLU 58 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.63 3kc4 n GLU 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 3kc4 s LYS 59 N 0.00 0.95 0.12 3.44 -2.85 -1.26 -4.27 119.74 115.86 3kc4 s LYS 59 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 3kc4 s LYS 59 Cb 0.00 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3kc4 s LYS 59 CO 0.00 -0.29 0.00 -0.11 0.10 0.00 0.00 175.35 175.05 3kc4 n LEU 60 N 1.05 -5.09 -4.51 2.77 7.94 -1.26 -2.89 117.00 115.00 3kc4 n LEU 60 Ca -0.20 2.77 -0.34 0.00 -1.11 0.00 0.00 56.01 57.13 3kc4 n LEU 60 Cb 0.57 -2.90 -0.12 0.00 0.53 0.00 0.00 43.42 41.50 3kc4 n LEU 60 CO 0.23 -1.97 -0.33 -0.62 -1.11 0.00 0.00 177.39 173.59 3kc4 s ASP 61 N -0.45 4.95 0.04 1.96 2.15 0.35 -2.53 116.67 123.14 3kc4 s ASP 61 Ca 0.00 -0.11 0.06 0.00 0.43 0.00 0.00 52.55 52.93 3kc4 s ASP 61 Cb 0.00 -1.82 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 3kc4 s ASP 61 CO 0.00 0.14 -0.17 -1.48 -0.17 0.00 0.00 175.17 173.49 3kc4 s LEU 62 N 0.53 2.17 0.24 -1.34 2.34 -1.25 -2.12 118.68 119.25 3kc4 s LEU 62 Ca -0.01 -0.49 -0.08 0.00 0.06 0.00 0.00 54.13 53.61 3kc4 s LEU 62 Cb -0.14 -0.78 -0.07 0.00 -0.56 0.00 0.00 46.19 44.64 3kc4 s LEU 62 CO 0.02 0.09 0.54 -0.47 -1.06 0.00 0.00 176.35 175.47 3kc4 s TYR 63 N -0.83 3.44 0.03 3.48 6.04 -1.18 -2.11 117.35 126.22 3kc4 s TYR 63 Ca 0.04 0.79 0.03 0.00 0.04 0.00 0.00 57.07 57.97 3kc4 s TYR 63 Cb -0.08 -2.20 -0.02 0.00 -1.04 0.00 0.00 41.96 38.62 3kc4 s TYR 63 CO 0.02 0.25 -0.09 0.42 -1.54 0.00 0.00 175.55 174.61 3kc4 s ILE 64 N -1.88 0.71 -0.37 3.14 1.01 -1.16 -1.99 121.20 120.66 3kc4 s ILE 64 Ca 0.46 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.33 3kc4 s ILE 64 Cb -0.11 -0.68 0.15 0.00 0.01 0.00 0.00 42.46 41.83 3kc4 s ILE 64 CO 0.24 -0.09 0.27 -0.89 0.00 0.00 0.00 174.94 174.46 3kc4 s THR 65 N -0.81 0.12 0.02 2.92 2.01 -1.26 -2.27 115.64 116.36 3kc4 s THR 65 Ca -0.02 -1.86 -0.01 0.00 0.31 0.00 0.00 61.69 60.10 3kc4 s THR 65 Cb -0.07 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3kc4 s THR 65 CO 0.00 -1.00 0.18 0.54 -0.69 0.00 0.00 174.62 173.65 3kc4 s VAL 66 N 0.85 5.32 0.41 3.82 0.11 -1.26 -2.58 120.40 127.08 3kc4 s VAL 66 Ca 0.22 -0.27 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 3kc4 s VAL 66 Cb -0.15 -3.52 -0.02 0.00 -1.53 0.00 0.00 36.38 31.16 3kc4 s VAL 66 CO -0.05 0.26 0.18 -1.59 -3.33 0.00 0.00 175.10 170.57 3kc4 s LYS 67 N -2.11 1.95 0.00 1.54 -2.85 -1.17 -5.00 119.74 112.11 3kc4 s LYS 67 Ca 0.29 -2.19 0.00 0.00 -1.00 0.00 0.00 55.97 53.07 3kc4 s LYS 67 Cb -0.13 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 3kc4 s LYS 67 CO 0.21 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.51 3kc4 n GLY 68 N -0.89 -1.10 7.00 0.59 0.00 -1.25 -4.05 105.19 105.49 3kc4 n GLY 68 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3kc4 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 69 N -1.05 0.95 0.00 -0.02 0.00 -0.59 -3.82 105.19 100.67 3kc4 n GLY 69 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3kc4 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 70 N 0.00 0.37 0.17 -0.02 0.00 -1.26 -4.78 105.19 99.67 3kc4 n GLY 70 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3kc4 n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kc4 n ILE 71 N 0.00 1.46 0.07 -0.61 -6.64 -1.26 -4.04 119.36 108.34 3kc4 n ILE 71 Ca 0.00 -0.18 -0.01 0.00 -1.77 0.00 0.00 62.75 60.79 3kc4 n ILE 71 Cb 0.00 -2.03 0.25 0.00 -1.44 0.00 0.00 39.64 36.43 3kc4 n ILE 71 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3kc4 h SER 72 N -0.95 0.34 -0.32 7.28 0.02 -1.95 -1.99 113.55 115.98 3kc4 h SER 72 Ca -0.43 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 3kc4 h SER 72 Cb 1.35 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3kc4 h SER 72 CO -0.26 0.61 -0.13 1.23 -1.14 0.00 0.00 176.83 177.15 3kc4 h GLY 73 N 1.03 0.70 0.15 -3.77 0.00 -1.86 -0.93 103.07 98.38 3kc4 h GLY 73 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.77 3kc4 h GLY 73 CO 0.05 0.56 -0.46 -1.61 0.00 0.00 0.00 176.54 175.07 3kc4 h GLN 74 N 0.41 -0.66 -0.85 4.80 4.15 -1.63 -2.33 115.11 119.00 3kc4 h GLN 74 Ca 0.07 0.05 0.23 0.00 0.77 0.00 0.00 58.65 59.77 3kc4 h GLN 74 Cb 0.64 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 3kc4 h GLN 74 CO 0.04 -0.44 0.59 0.00 -1.93 0.00 0.00 178.83 177.09 3kc4 h ALA 75 N -0.71 2.63 -0.84 3.38 0.00 -1.37 -2.21 119.26 120.14 3kc4 h ALA 75 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kc4 h ALA 75 Cb 0.68 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3kc4 h ALA 75 CO -0.23 -0.88 0.52 0.78 0.00 0.00 0.00 179.25 179.44 3kc4 h GLY 76 N 0.11 1.21 2.00 0.00 0.00 -0.61 -2.89 103.07 102.89 3kc4 h GLY 76 Ca 0.41 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3kc4 h GLY 76 CO -0.05 0.48 -0.28 0.00 0.00 0.00 0.00 176.54 176.69 3kc4 h ALA 77 N 1.28 1.02 -0.48 3.60 0.00 -1.19 -2.60 119.26 120.90 3kc4 h ALA 77 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kc4 h ALA 77 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kc4 h ALA 77 CO -0.06 0.35 0.21 0.82 0.00 0.00 0.00 179.25 180.57 3kc4 h ILE 78 N 0.00 1.20 0.00 0.00 2.04 -1.51 -3.09 117.51 116.15 3kc4 h ILE 78 Ca -0.00 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3kc4 h ILE 78 Cb 0.80 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3kc4 h ILE 78 CO 0.04 0.23 -0.00 0.03 0.00 0.00 0.00 178.15 178.44 3kc4 h ARG 79 N 0.63 0.00 -0.57 2.37 3.08 -1.51 0.98 114.38 119.36 3kc4 h ARG 79 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kc4 h ARG 79 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kc4 h ARG 79 CO -0.02 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.61 3kc4 n HIS 80 N -3.99 0.75 -1.99 3.04 8.25 -1.17 -3.69 115.22 116.42 3kc4 n HIS 80 Ca -0.03 -0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.03 3kc4 n HIS 80 Cb 0.08 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.31 3kc4 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kc4 n GLY 81 N 1.51 4.35 2.04 -1.41 0.00 0.33 -1.60 105.19 110.42 3kc4 n GLY 81 Ca 0.21 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3kc4 n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kc4 n ILE 82 N -0.67 0.00 -0.25 -0.61 2.08 -1.17 -4.42 119.36 114.32 3kc4 n ILE 82 Ca 0.22 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.47 3kc4 n ILE 82 Cb 0.86 -0.39 0.05 0.00 -0.75 0.00 0.00 39.64 39.40 3kc4 n ILE 82 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3kc4 h THR 83 N 0.00 1.20 -0.23 1.39 1.35 -1.76 -1.58 112.91 113.29 3kc4 h THR 83 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3kc4 h THR 83 Cb 0.00 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 3kc4 h THR 83 CO 0.00 0.22 0.00 -1.14 -0.25 0.00 0.00 175.52 174.35 3kc4 n ARG 84 N -4.53 1.92 -0.03 4.72 0.63 -1.25 -3.42 116.66 114.69 3kc4 n ARG 84 Ca 0.06 -1.74 -0.14 0.00 -0.92 0.00 0.00 57.85 55.10 3kc4 n ARG 84 Cb 0.07 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 31.67 3kc4 n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kc4 h ALA 85 N 2.43 0.48 -1.73 5.13 0.00 -1.56 -3.34 119.26 120.68 3kc4 h ALA 85 Ca 0.00 -0.55 -0.79 0.00 0.00 0.00 0.00 54.91 53.57 3kc4 h ALA 85 Cb 0.66 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.11 3kc4 h ALA 85 CO 0.00 0.69 0.74 1.28 0.00 0.00 0.00 179.25 181.97 3kc4 n LEU 86 N -3.95 6.52 -1.34 0.00 4.32 -0.63 -4.49 117.00 117.44 3kc4 n LEU 86 Ca -0.05 -5.30 0.11 0.00 -0.02 0.00 0.00 56.01 50.74 3kc4 n LEU 86 Cb 0.67 -1.18 0.32 0.00 -1.62 0.00 0.00 43.42 41.61 3kc4 n LEU 86 CO 0.50 1.85 0.77 1.15 -1.22 0.00 0.00 177.39 180.45 3kc4 n MET 87 N 0.80 2.98 0.00 3.23 0.00 -1.25 -3.52 117.12 119.36 3kc4 n MET 87 Ca 0.33 -2.66 0.00 0.00 0.00 0.00 0.00 57.70 55.37 3kc4 n MET 87 Cb 0.31 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 31.92 3kc4 n MET 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3kc4 n GLU 88 N 1.40 0.00 0.00 3.17 0.28 -1.26 -4.73 120.64 119.50 3kc4 n GLU 88 Ca 0.24 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.24 3kc4 n GLU 88 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 3kc4 n GLU 88 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3kc4 n TYR 89 N 0.00 0.00 -3.89 -1.84 4.01 -1.26 -4.97 117.16 109.21 3kc4 n TYR 89 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 3kc4 n TYR 89 Cb 0.43 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3kc4 n TYR 89 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kc4 s ASP 90 N -0.20 0.03 0.00 7.72 1.01 -1.23 -5.06 116.67 118.94 3kc4 s ASP 90 Ca 0.02 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.18 3kc4 s ASP 90 Cb 0.01 0.15 0.00 0.00 1.01 0.00 0.00 42.92 44.10 3kc4 s ASP 90 CO 0.02 -0.17 0.44 -0.62 0.21 0.00 0.00 175.17 175.05 3kc4 n GLU 91 N 2.31 0.00 0.00 8.23 4.71 -1.26 -4.43 120.64 130.19 3kc4 n GLU 91 Ca -0.18 -0.27 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 3kc4 n GLU 91 Cb 0.57 -0.18 0.00 0.00 -1.01 0.00 0.00 31.44 30.82 3kc4 n GLU 91 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3kc4 n SER 92 N 0.00 0.00 -0.55 1.62 3.41 -1.26 -4.83 113.62 112.01 3kc4 n SER 92 Ca 0.00 -0.95 0.09 0.00 -0.26 0.00 0.00 58.87 57.75 3kc4 n SER 92 Cb 0.54 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3kc4 n SER 92 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kc4 n LEU 93 N 0.00 2.09 0.06 1.04 4.77 -1.26 -4.73 117.00 118.97 3kc4 n LEU 93 Ca 0.00 -0.87 -0.12 0.00 -0.03 0.00 0.00 56.01 54.98 3kc4 n LEU 93 Cb 0.24 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3kc4 n LEU 93 CO 0.00 0.38 0.62 0.03 -1.33 0.00 0.00 177.39 177.09 3kc4 h ARG 94 N 2.70 -0.50 -0.82 3.23 2.47 -1.90 -1.21 114.38 118.35 3kc4 h ARG 94 Ca 0.00 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.87 3kc4 h ARG 94 Cb 0.67 0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 29.02 3kc4 h ARG 94 CO 0.00 -0.33 0.44 0.77 0.56 0.00 0.00 179.97 181.41 3kc4 h SER 95 N -0.52 0.58 -0.09 7.04 0.02 -1.99 -2.05 113.55 116.54 3kc4 h SER 95 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kc4 h SER 95 Cb 0.60 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3kc4 h SER 95 CO -0.29 0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 3kc4 n GLU 96 N -4.82 1.63 0.00 3.45 4.71 -0.55 -0.12 120.64 124.93 3kc4 n GLU 96 Ca 0.15 -0.51 0.00 0.00 -0.01 0.00 0.00 57.16 56.79 3kc4 n GLU 96 Cb 0.35 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3kc4 n GLU 96 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3kc4 n LEU 97 N 0.10 0.00 0.03 -4.62 4.77 -0.63 -2.92 117.00 113.72 3kc4 n LEU 97 Ca 0.04 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 3kc4 n LEU 97 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3kc4 n LEU 97 CO 0.05 0.00 -0.57 -0.09 -1.33 0.00 0.00 177.39 175.45 3kc4 h ARG 98 N 0.00 0.23 0.00 3.23 2.43 -1.36 -0.12 114.38 118.79 3kc4 h ARG 98 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3kc4 h ARG 98 Cb 0.26 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3kc4 h ARG 98 CO 0.00 1.06 0.00 1.63 -1.51 0.00 0.00 179.97 181.15 3kc4 n LYS 99 N -3.40 0.14 0.00 0.20 5.02 0.82 -1.52 118.16 119.42 3kc4 n LYS 99 Ca -0.23 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.26 3kc4 n LYS 99 Cb 1.05 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.70 3kc4 n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kc4 n ALA 100 N -1.41 3.23 -0.81 7.82 0.00 -1.15 -4.92 120.51 123.27 3kc4 n ALA 100 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3kc4 n ALA 100 Cb 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3kc4 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 101 N 1.37 0.68 1.13 0.00 0.00 -0.31 -4.86 105.19 103.20 3kc4 n GLY 101 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3kc4 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kc4 n PHE 102 N -2.59 0.39 0.00 1.61 3.72 -0.21 -3.93 117.46 116.46 3kc4 n PHE 102 Ca 0.00 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3kc4 n PHE 102 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3kc4 n PHE 102 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kc4 n VAL 103 N 1.48 0.00 -1.75 -4.37 0.31 -0.96 -4.52 118.33 108.51 3kc4 n VAL 103 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.09 3kc4 n VAL 103 Cb 0.61 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 3kc4 n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kc4 s THR 104 N -1.80 3.03 -0.33 2.52 2.01 -1.25 -4.90 115.64 114.92 3kc4 s THR 104 Ca 0.00 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 3kc4 s THR 104 Cb 0.00 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.45 3kc4 s THR 104 CO 0.00 -0.01 0.07 -0.60 -0.69 0.00 0.00 174.62 173.39 3kc4 s ARG 105 N 3.96 2.46 0.90 4.92 3.00 -1.26 -4.81 118.95 128.12 3kc4 s ARG 105 Ca 0.84 -1.30 -0.15 0.00 -1.00 0.00 0.00 55.73 54.11 3kc4 s ARG 105 Cb -0.41 -3.35 0.23 0.00 0.00 0.00 0.00 34.95 31.42 3kc4 s ARG 105 CO 0.38 -0.70 0.57 -0.25 0.00 0.00 0.00 175.30 175.30 3kc4 n ASP 106 N 4.70 -3.07 -0.67 -2.12 9.92 -1.26 -5.09 116.55 118.95 3kc4 n ASP 106 Ca -0.12 -0.62 -0.03 0.00 -0.53 0.00 0.00 54.79 53.50 3kc4 n ASP 106 Cb 0.44 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 3kc4 n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kc4 n ALA 107 N -4.68 0.65 -2.81 2.24 0.00 -1.26 -5.07 120.51 109.58 3kc4 n ALA 107 Ca -0.13 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 3kc4 n ALA 107 Cb 0.38 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 3kc4 n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kc4 s ARG 108 N 0.00 3.18 0.12 0.00 0.52 -1.26 -4.99 118.95 116.52 3kc4 s ARG 108 Ca 0.00 -0.86 0.09 0.00 -0.52 0.00 0.00 55.73 54.44 3kc4 s ARG 108 Cb 0.00 -4.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.11 3kc4 s ARG 108 CO 0.00 -1.87 -0.21 -0.65 0.02 0.00 0.00 175.30 172.59 3kc4 s GLN 109 N 4.18 1.18 0.50 3.54 -0.21 -1.26 -5.09 119.66 122.50 3kc4 s GLN 109 Ca 0.26 -1.22 -0.22 0.00 0.02 0.00 0.00 55.36 54.19 3kc4 s GLN 109 Cb -0.14 -1.45 -0.08 0.00 1.00 0.00 0.00 33.01 32.34 3kc4 s GLN 109 CO 0.08 0.33 1.01 1.33 -2.12 0.00 0.00 175.29 175.93 3kc4 n VAL 110 N 0.95 2.96 -4.00 1.09 0.24 -1.26 -4.97 118.33 113.33 3kc4 n VAL 110 Ca -0.18 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.29 3kc4 n VAL 110 Cb 0.54 -1.20 -0.15 0.00 -1.47 0.00 0.00 33.84 31.56 3kc4 n VAL 110 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kc4 s GLU 111 N -2.35 1.96 1.00 7.34 2.02 -1.26 -5.07 118.70 122.34 3kc4 s GLU 111 Ca 0.68 -1.58 -0.18 0.00 0.02 0.00 0.00 54.97 53.91 3kc4 s GLU 111 Cb -0.49 -3.11 -0.13 0.00 0.10 0.00 0.00 34.13 30.50 3kc4 s GLU 111 CO 0.53 -0.76 -0.76 2.89 0.02 0.00 0.00 175.26 177.18 3kc4 n ARG 112 N 4.40 -0.06 -1.97 1.61 1.85 -1.26 -4.49 116.66 116.74 3kc4 n ARG 112 Ca -0.06 -0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.35 3kc4 n ARG 112 Cb 0.42 -1.10 -0.03 0.00 -1.05 0.00 0.00 32.46 30.70 3kc4 n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3kc4 s LYS 113 N -2.19 3.79 0.16 2.89 2.20 -1.26 -4.25 119.74 121.08 3kc4 s LYS 113 Ca 0.42 1.90 -0.16 0.00 -0.36 0.00 0.00 55.97 57.76 3kc4 s LYS 113 Cb -0.15 -4.09 -0.07 0.00 -1.51 0.00 0.00 37.83 32.01 3kc4 s LYS 113 CO 0.79 -1.31 0.60 0.15 -0.36 0.00 0.00 175.35 175.22 3kc4 s LYS 114 N 4.81 4.09 0.29 4.03 -0.14 -1.08 -4.97 119.74 126.76 3kc4 s LYS 114 Ca 0.78 0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 55.73 3kc4 s LYS 114 Cb -0.29 -2.95 -0.10 0.00 -1.68 0.00 0.00 37.83 32.80 3kc4 s LYS 114 CO 0.32 0.47 1.43 0.14 -0.76 0.00 0.00 175.35 176.95 3kc4 s VAL 115 N -1.44 2.52 0.00 3.17 -7.23 -1.26 -2.36 120.40 113.81 3kc4 s VAL 115 Ca 0.38 0.47 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 3kc4 s VAL 115 Cb -0.16 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.48 3kc4 s VAL 115 CO 0.20 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 3kc4 n GLY 116 N 1.67 0.74 3.36 2.32 0.00 -1.26 -4.97 105.19 107.05 3kc4 n GLY 116 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3kc4 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kc4 s LEU 117 N 0.00 2.54 0.00 0.99 1.02 -0.99 -5.00 118.68 117.24 3kc4 s LEU 117 Ca 0.00 -1.00 0.14 0.00 0.02 0.00 0.00 54.13 53.29 3kc4 s LEU 117 Cb 0.00 -0.75 0.35 0.00 0.02 0.00 0.00 46.19 45.81 3kc4 s LEU 117 CO 0.00 -0.12 1.27 0.54 0.02 0.00 0.00 176.35 178.06 3kc4 n ARG 118 N -0.31 2.54 -4.05 1.70 1.74 -1.26 -4.57 116.66 112.45 3kc4 n ARG 118 Ca -0.08 -2.08 -0.13 0.00 -0.77 0.00 0.00 57.85 54.79 3kc4 n ARG 118 Cb 0.60 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.66 3kc4 n ARG 118 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3kc4 s LYS 119 N -1.03 1.80 0.30 5.56 1.02 -1.26 -5.00 119.74 121.13 3kc4 s LYS 119 Ca 0.28 -1.61 -0.00 0.00 0.02 0.00 0.00 55.97 54.66 3kc4 s LYS 119 Cb 0.15 0.45 0.50 0.00 -0.52 0.00 0.00 37.83 38.41 3kc4 s LYS 119 CO 0.20 -0.75 1.92 0.00 -0.92 0.00 0.00 175.35 175.80 3kc4 h ALA 120 N 2.17 1.48 -0.15 5.17 0.00 -1.79 -2.87 119.26 123.27 3kc4 h ALA 120 Ca -0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3kc4 h ALA 120 Cb 1.24 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.61 3kc4 h ALA 120 CO 0.39 0.40 -0.19 -2.13 0.00 0.00 0.00 179.25 177.72 3kc4 n ARG 121 N -4.47 0.27 -3.76 0.00 0.63 -1.26 -4.59 116.66 103.47 3kc4 n ARG 121 Ca 0.13 -1.03 -0.13 0.00 -0.92 0.00 0.00 57.85 55.90 3kc4 n ARG 121 Cb 0.16 -0.46 -0.10 0.00 0.45 0.00 0.00 32.46 32.52 3kc4 n ARG 121 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3kc4 s ARG 122 N 0.53 0.53 0.16 -0.14 3.52 -1.26 -5.16 118.95 117.13 3kc4 s ARG 122 Ca 0.27 0.11 0.07 0.00 -0.13 0.00 0.00 55.73 56.05 3kc4 s ARG 122 Cb 0.17 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 3kc4 s ARG 122 CO -0.11 -0.12 -0.02 1.03 -0.81 0.00 0.00 175.30 175.27 3kc4 s ARG 123 N -0.62 2.35 1.13 5.12 0.52 -1.26 -4.02 118.95 122.16 3kc4 s ARG 123 Ca -0.07 -1.09 -0.18 0.00 -0.52 0.00 0.00 55.73 53.86 3kc4 s ARG 123 Cb -0.04 -2.35 0.15 0.00 0.52 0.00 0.00 34.95 33.23 3kc4 s ARG 123 CO 0.02 0.46 0.16 -2.30 0.02 0.00 0.00 175.30 173.67 3kc4 n PRO 124 N 0.03 -2.05 -1.81 3.54 -0.02 -1.26 -5.03 135.00 128.40 3kc4 n PRO 124 Ca -0.10 -0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 60.39 3kc4 n PRO 124 Cb 0.55 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.35 3kc4 n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kc4 s GLN 125 N -3.59 3.92 0.27 -0.52 -1.52 -1.26 -5.07 119.66 111.90 3kc4 s GLN 125 Ca 0.53 2.49 0.11 0.00 -1.95 0.00 0.00 55.36 56.53 3kc4 s GLN 125 Cb -0.11 -2.83 -0.05 0.00 -0.22 0.00 0.00 33.01 29.81 3kc4 s GLN 125 CO 0.58 -0.65 -0.11 -0.06 -0.25 0.00 0.00 175.29 174.80 3kc4 s PHE 126 N -1.16 2.49 0.00 0.91 0.08 -1.26 -5.03 117.98 114.01 3kc4 s PHE 126 Ca 0.56 -0.28 0.10 0.00 0.12 0.00 0.00 56.93 57.44 3kc4 s PHE 126 Cb -0.45 -1.10 0.17 0.00 -0.57 0.00 0.00 43.02 41.07 3kc4 s PHE 126 CO 0.60 0.66 1.00 -1.13 -0.10 0.00 0.00 175.22 176.25 3kc4 n SER 127 N -0.71 0.08 -0.66 1.36 3.41 -1.26 -4.82 113.62 111.02 3kc4 n SER 127 Ca -0.06 -1.86 -0.02 0.00 -0.26 0.00 0.00 58.87 56.66 3kc4 n SER 127 Cb 0.59 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3kc4 n SER 127 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3kc4 n LYS 128 N 0.19 0.00 0.00 4.33 2.85 -1.26 -5.38 118.16 118.89 3kc4 n LYS 128 Ca -0.06 -0.33 0.04 0.00 -1.05 0.00 0.00 58.31 56.92 3kc4 n LYS 128 Cb 0.85 0.15 0.04 0.00 -0.65 0.00 0.00 35.03 35.42 3kc4 n LYS 128 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89