#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djp s LEU 3009N 0.00 4.56 0.46 3.14 1.43 -1.26 -5.02 118.68 121.98 1djp s LEU 3009Ca 0.00 2.24 -0.21 0.00 -1.03 0.00 0.00 54.13 55.13 1djp s LEU 3009Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1djp s LEU 3009CO 0.00 -0.13 1.01 0.00 0.23 0.00 0.00 176.35 177.46 1djp s ALA 3010N -1.13 2.96 -0.40 4.21 0.00 -1.26 -4.68 121.76 121.46 1djp s ALA 3010Ca 0.44 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1djp s ALA 3010Cb -0.32 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1djp s ALA 3010CO 0.40 -0.14 0.63 -0.80 0.00 0.00 0.00 175.76 175.85 1djp s ASN 3011N -2.00 6.36 -0.11 0.00 0.01 -1.26 -0.94 114.94 117.00 1djp s ASN 3011Ca 0.64 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.69 1djp s ASN 3011Cb -0.14 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1djp s ASN 3011CO 0.18 -0.68 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.27 1djp s VAL 3012N 2.74 3.05 -0.15 1.60 1.01 0.29 -0.48 120.40 128.46 1djp s VAL 3012Ca 0.23 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1djp s VAL 3012Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1djp s VAL 3012CO 0.17 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 175.10 1djp s VAL 3013N 0.07 4.05 -0.38 2.92 1.01 -0.60 -1.89 120.40 125.58 1djp s VAL 3013Ca -0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1djp s VAL 3013Cb -0.15 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1djp s VAL 3013CO 0.04 0.50 0.21 -0.63 0.00 0.00 0.00 175.10 175.23 1djp s ILE 3014N 0.24 4.50 -0.47 2.22 1.01 -0.16 -0.82 121.20 127.72 1djp s ILE 3014Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 1djp s ILE 3014Cb -0.14 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1djp s ILE 3014CO 0.02 -0.28 0.61 -0.76 0.00 0.00 0.00 174.94 174.53 1djp s LEU 3015N 1.53 4.79 -0.10 2.97 1.43 0.14 -1.58 118.68 127.86 1djp s LEU 3015Ca 0.02 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.23 1djp s LEU 3015Cb -0.20 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1djp s LEU 3015CO 0.06 -0.81 0.56 0.00 0.23 0.00 0.00 176.35 176.38 1djp s ALA 3016N 2.63 3.42 -0.31 4.21 0.00 -0.47 -1.46 121.76 129.79 1djp s ALA 3016Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1djp s ALA 3016Cb -0.17 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1djp s ALA 3016CO 0.14 -0.03 0.45 0.25 0.00 0.00 0.00 175.76 176.57 1djp n THR 3017N 3.70 0.00 0.00 0.00 -2.24 -0.39 -1.64 114.28 113.71 1djp n THR 3017Ca -0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1djp n THR 3017Cb 0.51 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1djp n THR 3017CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1djp n GLY 3018N 0.46 0.25 4.10 3.38 0.00 -1.23 -1.38 105.19 110.76 1djp n GLY 3018Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1djp n GLY 3018CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djp n GLY 3019N 0.00 -2.21 0.18 -0.02 0.00 -0.26 -4.03 105.19 98.85 1djp n GLY 3019Ca 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 1djp n GLY 3019CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1djp h THR 3020N 0.00 1.33 -0.02 2.61 2.02 -1.88 -0.74 112.91 116.23 1djp h THR 3020Ca 0.00 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1djp h THR 3020Cb 0.00 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1djp h THR 3020CO 0.00 0.47 0.02 -0.29 0.37 0.00 0.00 175.52 176.08 1djp h ILE 3021N 0.11 0.81 -0.40 3.11 2.10 -1.78 0.10 117.51 121.56 1djp h ILE 3021Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 1djp h ILE 3021Cb 0.84 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1djp h ILE 3021CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.13 1djp n ALA 3022N -2.46 3.03 -1.97 0.18 0.00 -0.95 -4.34 120.51 114.00 1djp n ALA 3022Ca -0.02 -1.92 -0.25 0.00 0.00 0.00 0.00 53.44 51.25 1djp n ALA 3022Cb 0.11 -0.79 0.10 0.00 0.00 0.00 0.00 19.45 18.87 1djp n ALA 3022CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djp s GLY 3023N -1.40 1.76 -0.13 0.00 0.00 0.36 0.08 107.32 107.99 1djp s GLY 3023Ca 0.43 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 1djp s GLY 3023CO 0.14 -0.89 0.34 0.00 0.00 0.00 0.00 173.10 172.69 1djp s ALA 3024N -3.22 -0.83 0.41 3.20 0.00 0.58 -3.73 121.76 118.17 1djp s ALA 3024Ca 0.65 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.71 1djp s ALA 3024Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1djp s ALA 3024CO 0.45 -0.18 0.23 0.20 0.00 0.00 0.00 175.76 176.47 1djp s GLY 3025N 0.43 2.28 0.22 0.00 0.00 -1.26 -0.64 107.32 108.34 1djp s GLY 3025Ca -0.02 -2.05 -0.10 0.00 0.00 0.00 0.00 44.72 42.55 1djp s GLY 3025CO -0.02 -1.85 1.89 0.00 0.00 0.00 0.00 173.10 173.11 1djp h ALA 3026N 1.32 1.00 -4.33 3.20 0.00 -1.88 -3.46 119.26 115.11 1djp h ALA 3026Ca -0.42 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.08 1djp h ALA 3026Cb 1.26 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1djp h ALA 3026CO 0.66 0.41 -0.27 -1.13 0.00 0.00 0.00 179.25 178.92 1djp n SER 3027N -4.54 -1.06 0.20 0.00 3.41 -1.26 -5.03 113.62 105.33 1djp n SER 3027Ca 0.08 -2.95 0.14 0.00 -0.26 0.00 0.00 58.87 55.89 1djp n SER 3027Cb 0.02 2.11 0.55 0.00 -0.26 0.00 0.00 64.21 66.63 1djp n SER 3027CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djp h ALA 3028N 2.02 1.00 0.00 7.33 0.00 -1.90 -2.61 119.26 125.10 1djp h ALA 3028Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1djp h ALA 3028Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1djp h ALA 3028CO 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 1djp n ALA 3029N -1.93 2.62 -2.79 0.00 0.00 -1.26 -0.15 120.51 117.00 1djp n ALA 3029Ca 0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1djp n ALA 3029Cb 0.29 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1djp n ALA 3029CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1djp s ASN 3030N -4.12 6.50 0.00 0.00 -0.87 -0.98 -4.76 114.94 110.71 1djp s ASN 3030Ca 0.09 -1.64 0.16 0.00 -1.57 0.00 0.00 52.86 49.91 1djp s ASN 3030Cb 0.14 -2.46 -0.15 0.00 -0.02 0.00 0.00 41.25 38.76 1djp s ASN 3030CO 0.64 -1.29 0.73 -1.54 -2.57 0.00 0.00 177.10 173.07 1djp n SER 3031N 7.56 0.93 0.00 -1.22 3.41 -1.26 -4.43 113.62 118.61 1djp n SER 3031Ca 0.22 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1djp n SER 3031Cb 0.49 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 1djp n SER 3031CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djp n ALA 3032N -1.17 1.50 -3.55 7.33 0.00 -1.26 -4.44 120.51 118.91 1djp n ALA 3032Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1djp n ALA 3032Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 1djp n ALA 3032CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1djp s THR 3033N -1.49 3.20 0.30 0.00 2.01 -1.26 -5.07 115.64 113.33 1djp s THR 3033Ca 0.00 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 1djp s THR 3033Cb 0.00 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.90 1djp s THR 3033CO 0.00 0.11 0.89 -0.72 -0.69 0.00 0.00 174.62 174.21 1djp s TYR 3034N 1.36 0.09 -0.28 4.92 1.13 -1.26 -4.50 117.35 118.82 1djp s TYR 3034Ca -0.00 -0.65 -0.06 0.00 -1.41 0.00 0.00 57.07 54.94 1djp s TYR 3034Cb -0.17 0.78 0.00 0.00 -1.10 0.00 0.00 41.96 41.47 1djp s TYR 3034CO -0.02 -1.30 0.05 -1.14 -2.51 0.00 0.00 175.55 170.63 1djp s GLN 3035N -2.28 3.17 0.80 -3.49 2.00 0.18 -4.94 119.66 115.11 1djp s GLN 3035Ca 0.18 -0.80 -0.12 0.00 -2.00 0.00 0.00 55.36 52.63 1djp s GLN 3035Cb -0.04 -3.29 0.07 0.00 0.80 0.00 0.00 33.01 30.56 1djp s GLN 3035CO 0.09 -0.38 1.12 0.00 -0.50 0.00 0.00 175.29 175.61 1djp s ALA 3036N 1.49 2.33 -1.46 1.58 0.00 -1.26 -0.31 121.76 124.13 1djp s ALA 3036Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 1djp s ALA 3036Cb -0.17 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1djp s ALA 3036CO 0.01 -1.72 0.55 0.00 0.00 0.00 0.00 175.76 174.60 1djp n ALA 3037N -3.40 -1.82 -0.09 0.00 0.00 -0.33 -4.80 120.51 110.06 1djp n ALA 3037Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1djp n ALA 3037Cb 0.58 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 1djp n ALA 3037CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1djp n LYS 3038N -4.41 0.97 -3.95 0.00 4.76 0.62 -4.82 118.16 111.32 1djp n LYS 3038Ca -0.22 0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 54.89 1djp n LYS 3038Cb 0.64 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 1djp n LYS 3038CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1djp s VAL 3039N -2.43 5.19 0.66 -0.18 1.01 0.11 -5.03 120.40 119.74 1djp s VAL 3039Ca -0.14 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1djp s VAL 3039Cb 0.06 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1djp s VAL 3039CO 0.67 0.56 1.06 -0.83 0.00 0.00 0.00 175.10 176.56 1djp s GLY 3040N -0.57 1.65 0.29 4.51 0.00 -1.26 -4.79 107.32 107.15 1djp s GLY 3040Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1djp s GLY 3040CO 0.02 0.17 1.84 -0.24 0.00 0.00 0.00 173.10 174.89 1djp h VAL 3041N -0.51 0.92 -0.45 1.40 3.04 -1.96 -1.50 116.25 117.20 1djp h VAL 3041Ca -0.44 -0.34 -0.09 0.00 -1.01 0.00 0.00 66.70 64.82 1djp h VAL 3041Cb 1.21 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 1djp h VAL 3041CO 0.62 0.18 -0.07 0.44 -1.01 0.00 0.00 177.57 177.72 1djp h ASP 3042N 0.99 0.78 0.87 3.17 5.19 -1.94 0.06 116.42 125.53 1djp h ASP 3042Ca 0.49 -0.22 -0.14 0.00 -0.62 0.00 0.00 57.03 56.54 1djp h ASP 3042Cb 0.48 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1djp h ASP 3042CO -0.26 0.89 -0.65 0.50 -3.12 0.00 0.00 179.24 176.60 1djp h LYS 3043N 0.73 0.00 -0.17 3.56 3.11 -1.84 -1.88 116.57 120.08 1djp h LYS 3043Ca 0.13 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.82 1djp h LYS 3043Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1djp h LYS 3043CO 0.03 0.65 -0.52 1.25 -2.81 0.00 0.00 179.45 178.06 1djp h LEU 3044N 0.00 0.52 0.00 5.20 5.85 -0.74 -2.81 115.31 123.33 1djp h LEU 3044Ca -0.01 -0.26 -0.27 0.00 0.84 0.00 0.00 57.88 58.18 1djp h LEU 3044Cb 1.26 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.17 1djp h LEU 3044CO 0.08 0.94 -1.05 0.40 -0.34 0.00 0.00 178.44 178.48 1djp h ILE 3045N 0.37 1.28 0.00 4.05 2.04 -0.89 -3.25 117.51 121.11 1djp h ILE 3045Ca 0.01 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1djp h ILE 3045Cb 1.03 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1djp h ILE 3045CO 0.09 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1djp h ALA 3046N 0.40 1.00 0.00 1.87 0.00 -1.30 -2.35 119.26 118.88 1djp h ALA 3046Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1djp h ALA 3046Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1djp h ALA 3046CO 0.21 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1djp n GLY 3047N -0.35 -1.58 2.73 0.00 0.00 -1.07 -4.27 105.19 100.65 1djp n GLY 3047Ca 0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1djp n GLY 3047CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djp s VAL 3048N -3.04 1.97 0.44 1.61 1.01 -0.88 -4.96 120.40 116.54 1djp s VAL 3048Ca 0.13 -3.57 0.17 0.00 0.00 0.00 0.00 61.98 58.70 1djp s VAL 3048Cb 0.16 -2.31 0.19 0.00 0.00 0.00 0.00 36.38 34.42 1djp s VAL 3048CO 0.56 -1.05 1.99 -0.65 0.00 0.00 0.00 175.10 175.95 1djp h PRO 3049N 5.66 0.00 0.00 2.72 0.11 -1.75 -2.43 132.00 136.30 1djp h PRO 3049Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1djp h PRO 3049Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1djp h PRO 3049CO 0.59 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 1djp n GLU 3050N -4.19 0.41 0.03 1.05 4.71 -1.26 -2.65 120.64 118.74 1djp n GLU 3050Ca -0.02 0.05 -0.03 0.00 -0.01 0.00 0.00 57.16 57.14 1djp n GLU 3050Cb 0.25 -1.50 0.21 0.00 -1.01 0.00 0.00 31.44 29.39 1djp n GLU 3050CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1djp h LEU 3051N 0.00 0.44 -1.44 -4.62 5.85 -1.79 -3.10 115.31 110.64 1djp h LEU 3051Ca 0.00 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1djp h LEU 3051Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1djp h LEU 3051CO 0.00 0.71 0.45 0.00 -0.34 0.00 0.00 178.44 179.26 1djp h ALA 3052N 1.32 1.76 0.00 1.25 0.00 -1.71 -1.22 119.26 120.65 1djp h ALA 3052Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1djp h ALA 3052Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1djp h ALA 3052CO 0.05 0.13 0.00 -0.44 0.00 0.00 0.00 179.25 178.99 1djp h ASP 3053N 0.68 0.00 0.17 0.00 3.32 -1.77 -3.25 116.42 115.56 1djp h ASP 3053Ca 0.29 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.99 1djp h ASP 3053Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1djp h ASP 3053CO -0.09 0.00 -1.85 -0.07 -1.72 0.00 0.00 179.24 175.51 1djp h LEU 3054N 0.00 0.55 -7.65 1.55 3.38 -1.34 -3.50 115.31 108.29 1djp h LEU 3054Ca 0.00 -0.95 0.26 0.00 0.09 0.00 0.00 57.88 57.28 1djp h LEU 3054Cb 0.53 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1djp h LEU 3054CO 0.00 1.82 0.71 0.00 0.09 0.00 0.00 178.44 181.06 1djp s ALA 3055N -2.57 -1.99 -0.42 1.53 0.00 -1.11 -4.52 121.76 112.68 1djp s ALA 3055Ca -0.18 0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1djp s ALA 3055Cb 0.06 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1djp s ALA 3055CO 0.82 -1.07 0.74 -0.80 0.00 0.00 0.00 175.76 175.45 1djp s ASN 3056N -3.24 6.43 -0.08 0.00 0.02 -0.11 -4.40 114.94 113.55 1djp s ASN 3056Ca 0.19 -0.02 -0.00 0.00 -1.02 0.00 0.00 52.86 52.00 1djp s ASN 3056Cb 0.01 -2.37 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 1djp s ASN 3056CO 0.00 -0.82 -0.04 0.68 0.02 0.00 0.00 177.10 176.95 1djp s VAL 3057N 3.11 3.96 -0.03 1.60 -7.23 -1.26 -0.55 120.40 119.99 1djp s VAL 3057Ca 0.28 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1djp s VAL 3057Cb -0.13 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1djp s VAL 3057CO 0.20 0.60 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.82 1djp s ARG 3058N -0.79 1.62 -0.10 4.82 3.52 -0.79 -5.00 118.95 122.23 1djp s ARG 3058Ca 0.12 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1djp s ARG 3058Cb -0.11 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.78 1djp s ARG 3058CO 0.02 0.28 0.07 0.20 -0.81 0.00 0.00 175.30 175.06 1djp s GLY 3059N -0.10 2.00 -0.07 8.12 0.00 -1.26 -0.99 107.32 115.01 1djp s GLY 3059Ca -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1djp s GLY 3059CO 0.01 -0.48 0.15 1.85 0.00 0.00 0.00 173.10 174.62 1djp s GLU 3060N -0.97 0.05 -0.63 2.90 2.12 -0.61 -4.95 118.70 116.60 1djp s GLU 3060Ca 0.14 0.47 -0.22 0.00 0.36 0.00 0.00 54.97 55.72 1djp s GLU 3060Cb -0.12 -0.24 0.07 0.00 0.26 0.00 0.00 34.13 34.10 1djp s GLU 3060CO 0.03 -0.25 0.90 -1.14 -0.54 0.00 0.00 175.26 174.27 1djp s GLN 3061N 1.80 3.11 0.10 4.30 2.00 -1.26 -1.37 119.66 128.34 1djp s GLN 3061Ca -0.02 -0.89 -0.10 0.00 -2.00 0.00 0.00 55.36 52.35 1djp s GLN 3061Cb -0.12 -4.22 -0.17 0.00 0.80 0.00 0.00 33.01 29.30 1djp s GLN 3061CO -0.06 -1.72 1.25 0.28 -0.50 0.00 0.00 175.29 174.54 1djp h VAL 3062N 5.96 1.32 -2.40 1.34 2.07 -1.66 -3.48 116.25 119.40 1djp h VAL 3062Ca -0.29 -2.28 0.15 0.00 0.82 0.00 0.00 66.70 65.10 1djp h VAL 3062Cb 1.07 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 33.09 1djp h VAL 3062CO 1.15 0.70 0.46 0.00 0.02 0.00 0.00 177.57 179.90 1djp s MET 3063N -3.36 1.15 -0.48 1.57 0.00 -1.10 -5.04 119.30 112.05 1djp s MET 3063Ca -0.08 -0.59 0.06 0.00 0.00 0.00 0.00 55.69 55.07 1djp s MET 3063Cb 0.08 0.42 0.21 0.00 0.00 0.00 0.00 34.83 35.54 1djp s MET 3063CO 0.90 -0.52 0.48 0.94 0.00 0.00 0.00 175.02 176.82 1djp n GLN 3064N -0.42 0.94 -4.45 3.16 -0.06 -1.25 -3.57 117.38 111.74 1djp n GLN 3064Ca -0.07 -3.59 -0.21 0.00 -2.00 0.00 0.00 57.00 51.12 1djp n GLN 3064Cb 0.61 -1.68 -0.11 0.00 -4.06 0.00 0.00 30.24 25.00 1djp n GLN 3064CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1djp s ILE 3065N -0.96 1.27 -0.25 1.69 -4.36 -0.48 -4.92 121.20 113.19 1djp s ILE 3065Ca 0.34 -2.02 -0.17 0.00 -0.26 0.00 0.00 60.65 58.54 1djp s ILE 3065Cb 0.09 -2.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 1djp s ILE 3065CO -0.14 -0.06 0.46 0.00 0.24 0.00 0.00 174.94 175.44 1djp s ALA 3066N -3.24 3.57 0.58 2.27 0.00 -1.26 -1.10 121.76 122.58 1djp s ALA 3066Ca 0.35 -0.62 0.29 0.00 0.00 0.00 0.00 51.96 51.97 1djp s ALA 3066Cb 0.08 -2.79 1.49 0.00 0.00 0.00 0.00 23.12 21.90 1djp s ALA 3066CO 0.15 -0.61 1.93 0.66 0.00 0.00 0.00 175.76 177.89 1djp h SER 3067N 7.88 0.00 0.68 0.00 4.64 -1.91 -1.66 113.55 123.18 1djp h SER 3067Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1djp h SER 3067Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1djp h SER 3067CO 0.70 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.71 1djp h GLU 3068N 0.00 0.00 -0.47 4.77 9.09 -1.93 -2.74 114.58 123.30 1djp h GLU 3068Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1djp h GLU 3068Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1djp h GLU 3068CO -0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1djp n SER 3069N -2.56 4.94 -4.77 3.06 7.64 -0.62 -5.01 113.62 116.29 1djp n SER 3069Ca 0.01 -2.88 -0.38 0.00 1.01 0.00 0.00 58.87 56.63 1djp n SER 3069Cb 0.22 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 1djp n SER 3069CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1djp s ILE 3070N -2.63 3.45 0.38 0.44 2.07 -1.03 -4.98 121.20 118.90 1djp s ILE 3070Ca 0.49 1.22 0.08 0.00 -1.41 0.00 0.00 60.65 61.03 1djp s ILE 3070Cb 0.37 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 39.24 1djp s ILE 3070CO 0.15 0.11 0.19 0.42 -1.91 0.00 0.00 174.94 173.90 1djp s THR 3071N -1.46 2.70 0.41 4.00 -4.23 -1.26 -5.01 115.64 110.79 1djp s THR 3071Ca 0.55 -1.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.50 1djp s THR 3071Cb -0.27 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.80 1djp s THR 3071CO 0.34 -0.09 2.01 0.78 -0.54 0.00 0.00 174.62 177.12 1djp h ASN 3072N 1.43 0.30 1.13 3.99 2.35 -2.00 -1.53 115.58 121.25 1djp h ASN 3072Ca -0.43 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.23 1djp h ASN 3072Cb 1.25 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1djp h ASN 3072CO 0.65 0.32 -0.27 0.44 -1.65 0.00 0.00 177.43 176.92 1djp h ASP 3073N 0.34 0.00 0.21 5.81 3.32 -1.99 -2.47 116.42 121.63 1djp h ASP 3073Ca 0.08 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1djp h ASP 3073Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1djp h ASP 3073CO -0.00 0.27 -0.72 0.44 -1.72 0.00 0.00 179.24 177.50 1djp h ASP 3074N 0.00 0.52 -0.16 6.45 3.45 -1.68 -2.16 116.42 122.84 1djp h ASP 3074Ca -0.00 -0.34 -0.02 0.00 0.43 0.00 0.00 57.03 57.10 1djp h ASP 3074Cb 0.90 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1djp h ASP 3074CO 0.03 1.08 0.02 -0.07 -1.57 0.00 0.00 179.24 178.74 1djp h LEU 3075N 0.30 0.25 -0.80 1.55 3.38 -1.21 -2.11 115.31 116.68 1djp h LEU 3075Ca -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1djp h LEU 3075Cb 1.30 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 1djp h LEU 3075CO 0.13 0.45 0.37 -0.07 0.09 0.00 0.00 178.44 179.41 1djp h LEU 3076N 0.05 1.05 0.11 1.67 3.38 -1.45 0.45 115.31 120.56 1djp h LEU 3076Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1djp h LEU 3076Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1djp h LEU 3076CO 0.00 0.90 -0.10 0.50 0.09 0.00 0.00 178.44 179.83 1djp h LYS 3077N 1.13 -0.21 -0.31 1.13 1.63 -1.35 0.13 116.57 118.72 1djp h LYS 3077Ca 0.27 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1djp h LYS 3077Cb 0.13 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1djp h LYS 3077CO -0.03 -0.14 0.06 1.25 -3.45 0.00 0.00 179.45 177.14 1djp h LEU 3078N -0.22 0.47 -0.66 5.20 5.85 -1.15 -1.86 115.31 122.94 1djp h LEU 3078Ca 0.00 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1djp h LEU 3078Cb 0.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1djp h LEU 3078CO -0.02 0.60 0.40 1.23 -0.34 0.00 0.00 178.44 180.31 1djp h GLY 3079N 0.33 0.96 1.79 3.75 0.00 0.10 -1.07 103.07 108.92 1djp h GLY 3079Ca 0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1djp h GLY 3079CO 0.00 0.23 -0.61 0.50 0.00 0.00 0.00 176.54 176.66 1djp h LYS 3080N 0.77 0.22 -0.16 4.80 1.57 -0.67 -2.15 116.57 120.95 1djp h LYS 3080Ca 0.27 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1djp h LYS 3080Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1djp h LYS 3080CO -0.13 0.76 -0.39 -0.09 -0.57 0.00 0.00 179.45 179.03 1djp h ARG 3081N 0.16 0.35 -0.24 3.15 9.65 -0.91 -2.04 114.38 124.50 1djp h ARG 3081Ca -0.01 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1djp h ARG 3081Cb 1.11 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 1djp h ARG 3081CO 0.09 0.69 -0.13 0.28 2.80 0.00 0.00 179.97 183.71 1djp h VAL 3082N 0.29 1.30 -0.83 0.20 2.07 -1.05 -2.27 116.25 115.96 1djp h VAL 3082Ca 0.03 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1djp h VAL 3082Cb 0.82 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1djp h VAL 3082CO 0.07 0.38 0.55 0.00 0.02 0.00 0.00 177.57 178.58 1djp h ALA 3083N 0.71 1.50 -0.27 1.67 0.00 -1.19 0.76 119.26 122.44 1djp h ALA 3083Ca 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1djp h ALA 3083Cb 0.63 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1djp h ALA 3083CO 0.04 0.41 -0.24 0.93 0.00 0.00 0.00 179.25 180.39 1djp h GLU 3084N 1.02 0.64 -0.61 0.00 5.08 -1.23 -2.52 114.58 116.97 1djp h GLU 3084Ca 0.33 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1djp h GLU 3084Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1djp h GLU 3084CO -0.10 0.93 0.15 -0.07 -1.00 0.00 0.00 179.01 178.92 1djp h LEU 3085N 0.37 0.91 -1.19 1.33 -0.00 -0.91 -2.94 115.31 112.89 1djp h LEU 3085Ca 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1djp h LEU 3085Cb 0.79 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1djp h LEU 3085CO 0.06 0.90 0.40 0.00 -0.00 0.00 0.00 178.44 179.80 1djp h ALA 3086N 1.04 1.39 0.00 1.53 0.00 -0.84 -2.37 119.26 120.02 1djp h ALA 3086Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1djp h ALA 3086Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1djp h ALA 3086CO 0.00 0.51 -0.20 -0.44 0.00 0.00 0.00 179.25 179.13 1djp h ASP 3087N 0.96 0.00 -3.39 0.00 3.45 -1.28 -3.45 116.42 112.72 1djp h ASP 3087Ca 0.25 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 57.18 1djp h ASP 3087Cb -0.00 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1djp h ASP 3087CO -0.04 0.20 0.56 -0.55 -1.57 0.00 0.00 179.24 177.84 1djp s SER 3088N -6.18 7.08 0.39 6.45 0.15 -0.89 -4.94 113.70 115.75 1djp s SER 3088Ca -0.01 2.18 0.20 0.00 0.70 0.00 0.00 55.95 59.02 1djp s SER 3088Cb 0.11 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.56 1djp s SER 3088CO 0.62 -0.40 1.76 0.78 1.20 0.00 0.00 173.24 177.19 1djp h ASN 3089N 5.68 0.00 0.00 5.45 4.21 -1.86 -3.01 115.58 126.05 1djp h ASN 3089Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1djp h ASN 3089Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1djp h ASN 3089CO 0.77 0.34 0.00 0.47 -1.29 0.00 0.00 177.43 177.72 1djp n ASP 3090N -3.51 0.00 -4.01 5.81 8.00 -1.26 -4.68 116.55 116.90 1djp n ASP 3090Ca -0.00 -1.66 -0.29 0.00 0.71 0.00 0.00 54.79 53.54 1djp n ASP 3090Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.42 1djp n ASP 3090CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1djp s VAL 3091N -2.00 1.46 -0.23 2.53 1.01 -1.14 -4.80 120.40 117.23 1djp s VAL 3091Ca 0.15 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1djp s VAL 3091Cb 0.07 -1.37 -0.19 0.00 0.00 0.00 0.00 36.38 34.89 1djp s VAL 3091CO 0.11 0.44 -0.12 0.47 0.00 0.00 0.00 175.10 176.00 1djp n ASP 3092N 4.60 1.80 -4.05 3.32 8.00 0.37 -4.87 116.55 125.71 1djp n ASP 3092Ca -0.17 -0.08 -0.07 0.00 0.71 0.00 0.00 54.79 55.18 1djp n ASP 3092Cb 0.50 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1djp n ASP 3092CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1djp s GLY 3093N -6.30 0.41 -0.06 0.44 0.00 -0.75 -4.24 107.32 96.83 1djp s GLY 3093Ca -0.31 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1djp s GLY 3093CO 0.64 -1.24 -0.09 -0.42 0.00 0.00 0.00 173.10 172.00 1djp s ILE 3094N -3.91 0.89 -0.11 0.90 1.01 -0.04 -1.55 121.20 118.38 1djp s ILE 3094Ca 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1djp s ILE 3094Cb 0.07 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1djp s ILE 3094CO -0.10 0.31 -0.22 -0.69 0.00 0.00 0.00 174.94 174.23 1djp s VAL 3095N 0.91 2.14 -0.20 2.92 1.01 -0.00 -0.09 120.40 127.09 1djp s VAL 3095Ca -0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1djp s VAL 3095Cb -0.15 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1djp s VAL 3095CO 0.01 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 1djp s ILE 3096N 0.48 2.53 -0.27 2.22 1.01 0.15 0.25 121.20 127.57 1djp s ILE 3096Ca -0.15 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 1djp s ILE 3096Cb -0.17 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 1djp s ILE 3096CO 0.06 0.44 0.79 0.42 0.00 0.00 0.00 174.94 176.65 1djp s THR 3097N 1.34 4.84 0.01 2.92 -4.23 -0.53 0.05 115.64 120.04 1djp s THR 3097Ca 0.04 1.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.92 1djp s THR 3097Cb -0.14 -4.10 -0.01 0.00 1.34 0.00 0.00 72.50 69.59 1djp s THR 3097CO -0.09 -0.13 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.53 1djp s HIS 3098N 2.84 0.42 0.41 3.99 5.04 0.68 -1.26 115.29 127.41 1djp s HIS 3098Ca 0.33 -0.21 -0.27 0.00 -1.54 0.00 0.00 55.06 53.37 1djp s HIS 3098Cb -0.15 -0.27 -0.10 0.00 0.04 0.00 0.00 32.58 32.11 1djp s HIS 3098CO 0.10 -0.04 1.46 0.20 -2.34 0.00 0.00 174.74 174.12 1djp s GLY 3099N -0.57 2.93 0.49 1.59 0.00 -1.26 -3.95 107.32 106.55 1djp s GLY 3099Ca -0.03 1.53 0.20 0.00 0.00 0.00 0.00 44.72 46.43 1djp s GLY 3099CO -0.00 2.19 2.05 -0.91 0.00 0.00 0.00 173.10 176.42 1djp h THR 3100N 2.70 0.88 -0.50 0.90 1.35 -1.94 -2.96 112.91 113.33 1djp h THR 3100Ca -0.51 -0.53 0.08 0.00 -0.55 0.00 0.00 66.41 64.89 1djp h THR 3100Cb 1.25 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 68.91 1djp h THR 3100CO 0.63 0.14 0.14 0.44 -0.25 0.00 0.00 175.52 176.62 1djp h ASP 3101N 0.00 0.10 -0.03 5.36 3.45 -1.92 -3.03 116.42 120.34 1djp h ASP 3101Ca -0.00 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1djp h ASP 3101Cb 0.30 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1djp h ASP 3101CO 0.02 0.08 0.00 0.35 -1.57 0.00 0.00 179.24 178.12 1djp n THR 3102N -5.05 1.85 -0.24 0.35 -2.24 -1.24 -4.72 114.28 102.98 1djp n THR 3102Ca 0.05 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 1djp n THR 3102Cb 0.22 -0.17 0.12 0.00 -2.10 0.00 0.00 70.33 68.41 1djp n THR 3102CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1djp h LEU 3103N 0.23 0.50 -2.01 3.22 6.46 -1.39 -0.56 115.31 121.76 1djp h LEU 3103Ca 0.00 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1djp h LEU 3103Cb 1.01 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1djp h LEU 3103CO 0.03 0.30 -0.05 1.05 -0.62 0.00 0.00 178.44 179.14 1djp h GLU 3104N 0.63 0.00 0.01 1.25 4.11 -1.85 0.10 114.58 118.84 1djp h GLU 3104Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 1djp h GLU 3104Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1djp h GLU 3104CO -0.24 0.05 -0.01 0.93 0.07 0.00 0.00 179.01 179.82 1djp h GLU 3105N 0.00 -0.01 -0.66 1.06 5.08 -1.47 -2.93 114.58 115.65 1djp h GLU 3105Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1djp h GLU 3105Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1djp h GLU 3105CO 0.01 0.73 0.27 1.15 -1.00 0.00 0.00 179.01 180.17 1djp h THR 3106N -0.79 1.24 -0.78 1.13 2.02 -1.11 -1.30 112.91 113.32 1djp h THR 3106Ca -0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1djp h THR 3106Cb 0.75 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1djp h THR 3106CO 0.00 0.29 0.49 0.00 0.37 0.00 0.00 175.52 176.68 1djp h ALA 3107N 1.12 0.99 -0.19 6.16 0.00 -0.90 -1.50 119.26 124.94 1djp h ALA 3107Ca 0.22 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1djp h ALA 3107Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1djp h ALA 3107CO -0.02 0.44 -0.54 -0.92 0.00 0.00 0.00 179.25 178.21 1djp h TYR 3108N 1.07 0.68 -0.02 0.00 3.20 -1.30 -2.56 116.97 118.03 1djp h TYR 3108Ca 0.28 -0.24 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1djp h TYR 3108Cb -0.08 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1djp h TYR 3108CO -0.01 0.96 0.01 0.35 -1.64 0.00 0.00 178.16 177.84 1djp h PHE 3109N 0.42 0.03 -0.44 -3.82 3.57 -0.85 -2.64 116.94 113.22 1djp h PHE 3109Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1djp h PHE 3109Cb 1.08 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1djp h PHE 3109CO 0.04 0.09 0.17 -0.07 -2.23 0.00 0.00 178.31 176.31 1djp h LEU 3110N -0.03 0.57 -1.51 0.59 3.38 -1.30 -2.14 115.31 114.87 1djp h LEU 3110Ca 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1djp h LEU 3110Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1djp h LEU 3110CO -0.00 0.52 0.16 -1.13 0.09 0.00 0.00 178.44 178.08 1djp h ASN 3111N 0.63 0.43 0.61 -0.43 -1.24 -1.15 -1.92 115.58 112.51 1djp h ASN 3111Ca 0.15 -0.03 -0.27 0.00 0.71 0.00 0.00 56.30 56.85 1djp h ASN 3111Cb 0.14 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1djp h ASN 3111CO -0.01 0.38 -1.49 -0.07 -1.29 0.00 0.00 177.43 174.95 1djp h LEU 3112N 0.48 0.08 0.00 0.34 3.38 -1.07 0.14 115.31 118.67 1djp h LEU 3112Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1djp h LEU 3112Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1djp h LEU 3112CO -0.02 1.11 -0.63 1.33 0.09 0.00 0.00 178.44 180.33 1djp n VAL 3113N -3.22 0.00 -3.12 1.22 0.24 -0.88 -4.33 118.33 108.25 1djp n VAL 3113Ca -0.13 -0.20 -0.44 0.00 -2.04 0.00 0.00 64.34 61.53 1djp n VAL 3113Cb 1.02 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 34.30 1djp n VAL 3113CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1djp s GLN 3114N -2.22 3.14 -1.26 7.34 -1.52 -0.73 -1.84 119.66 122.57 1djp s GLN 3114Ca 0.04 -0.83 -0.12 0.00 -1.95 0.00 0.00 55.36 52.51 1djp s GLN 3114Cb 0.10 -4.10 0.16 0.00 -0.22 0.00 0.00 33.01 28.95 1djp s GLN 3114CO 0.52 -1.26 1.72 1.17 -0.25 0.00 0.00 175.29 177.19 1djp n LYS 3115N 6.31 3.46 -3.77 2.91 4.81 -1.26 -4.10 118.16 126.53 1djp n LYS 3115Ca -0.06 -3.60 -0.13 0.00 -0.87 0.00 0.00 58.31 53.66 1djp n LYS 3115Cb 0.46 -3.02 -0.08 0.00 0.02 0.00 0.00 35.03 32.41 1djp n LYS 3115CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1djp s THR 3116N 1.18 0.07 -1.98 3.15 -1.32 -1.26 -4.76 115.64 110.71 1djp s THR 3116Ca 0.42 -0.57 0.24 0.00 -1.21 0.00 0.00 61.69 60.57 1djp s THR 3116Cb 0.05 -0.72 0.09 0.00 -1.51 0.00 0.00 72.50 70.40 1djp s THR 3116CO 0.00 -0.31 1.25 -0.90 -2.21 0.00 0.00 174.62 172.45 1djp n ASP 3117N 1.03 1.74 -4.77 8.08 5.68 -1.26 -3.84 116.55 123.22 1djp n ASP 3117Ca -0.21 -1.34 -0.39 0.00 -0.50 0.00 0.00 54.79 52.35 1djp n ASP 3117Cb 0.57 0.36 -0.00 0.00 -1.14 0.00 0.00 41.12 40.91 1djp n ASP 3117CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1djp s LYS 3118N -2.47 3.89 0.05 0.11 1.02 -1.26 -1.77 119.74 119.31 1djp s LYS 3118Ca 0.21 2.07 -0.30 0.00 0.02 0.00 0.00 55.97 57.96 1djp s LYS 3118Cb 0.19 -2.66 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1djp s LYS 3118CO 0.55 -0.53 1.73 -2.14 -0.92 0.00 0.00 175.35 174.03 1djp s PRO 3119N -2.35 4.18 -0.27 -1.68 0.02 -1.26 -4.84 135.00 128.79 1djp s PRO 3119Ca 0.59 2.39 -0.00 0.00 0.02 0.00 0.00 61.00 63.99 1djp s PRO 3119Cb -0.36 -3.75 0.04 0.00 0.02 0.00 0.00 34.50 30.45 1djp s PRO 3119CO 0.45 -0.80 -0.06 0.42 -0.33 0.00 0.00 177.00 176.68 1djp s ILE 3120N 3.17 2.69 -0.13 2.83 1.01 -1.26 -0.86 121.20 128.65 1djp s ILE 3120Ca 0.77 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1djp s ILE 3120Cb -0.40 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 1djp s ILE 3120CO 0.34 0.04 -0.19 -0.69 0.00 0.00 0.00 174.94 174.43 1djp s VAL 3121N 1.23 2.44 -0.14 2.92 1.01 0.87 -0.69 120.40 128.05 1djp s VAL 3121Ca -0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1djp s VAL 3121Cb -0.19 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1djp s VAL 3121CO -0.04 0.54 0.03 -0.69 0.00 0.00 0.00 175.10 174.94 1djp s VAL 3122N 0.54 4.54 0.01 2.92 1.01 0.94 0.31 120.40 130.67 1djp s VAL 3122Ca -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1djp s VAL 3122Cb -0.16 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1djp s VAL 3122CO 0.04 0.53 0.05 0.54 0.00 0.00 0.00 175.10 176.27 1djp s VAL 3123N -0.20 0.09 0.04 2.92 0.11 0.11 -3.11 120.40 120.36 1djp s VAL 3123Ca 0.06 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.36 1djp s VAL 3123Cb -0.12 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1djp s VAL 3123CO 0.02 -0.41 0.07 0.61 -3.33 0.00 0.00 175.10 172.06 1djp n GLY 3124N 1.63 2.62 3.18 6.54 0.00 -1.25 -0.23 105.19 117.68 1djp n GLY 3124Ca -0.23 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1djp n GLY 3124CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1djp s SER 3125N -1.26 0.16 0.03 1.61 1.04 -1.26 -4.85 113.70 109.16 1djp s SER 3125Ca 0.03 -0.66 0.23 0.00 0.48 0.00 0.00 55.95 56.03 1djp s SER 3125Cb -0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1djp s SER 3125CO 0.02 -0.69 0.98 0.23 0.98 0.00 0.00 173.24 174.76 1djp n MET 3126N 0.08 0.24 -4.66 4.02 2.81 -1.26 -4.46 117.12 113.88 1djp n MET 3126Ca -0.15 -0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.47 1djp n MET 3126Cb 0.62 -1.56 -0.14 0.00 -0.71 0.00 0.00 33.22 31.43 1djp n MET 3126CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1djp s ARG 3127N -3.17 1.31 0.54 0.03 0.52 -1.26 -4.82 118.95 112.10 1djp s ARG 3127Ca 0.04 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.29 1djp s ARG 3127Cb 0.15 -1.34 -0.06 0.00 0.52 0.00 0.00 34.95 34.23 1djp s ARG 3127CO 0.82 0.35 1.08 -1.25 0.02 0.00 0.00 175.30 176.32 1djp s PRO 3128N -0.85 3.47 0.35 3.54 0.04 -1.26 -4.48 135.00 135.82 1djp s PRO 3128Ca 0.06 1.41 0.17 0.00 0.04 0.00 0.00 61.00 62.68 1djp s PRO 3128Cb -0.08 -2.04 0.95 0.00 0.04 0.00 0.00 34.50 33.37 1djp s PRO 3128CO 0.01 -0.71 1.47 0.78 0.04 0.00 0.00 177.00 178.59 1djp h GLY 3129N 1.08 0.00 1.31 0.56 0.00 -1.72 -0.89 103.07 103.42 1djp h GLY 3129Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1djp h GLY 3129CO 0.58 0.00 -0.51 -1.30 0.00 0.00 0.00 176.54 175.31 1djp n THR 3130N -2.19 0.39 -1.88 4.70 -2.24 -1.26 -4.91 114.28 106.89 1djp n THR 3130Ca -0.01 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 1djp n THR 3130Cb 0.23 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1djp n THR 3130CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djp s ALA 3131N -3.15 2.91 0.30 6.98 0.00 -0.34 -3.97 121.76 124.49 1djp s ALA 3131Ca 0.07 0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 1djp s ALA 3131Cb 0.13 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 1djp s ALA 3131CO 0.70 -0.81 0.96 0.00 0.00 0.00 0.00 175.76 176.61 1djp s MET 3132N -4.80 4.65 -1.32 0.00 0.23 0.78 -3.38 119.30 115.46 1djp s MET 3132Ca 0.58 1.43 -0.08 0.00 -1.03 0.00 0.00 55.69 56.59 1djp s MET 3132Cb -0.12 -2.96 0.01 0.00 -1.53 0.00 0.00 34.83 30.22 1djp s MET 3132CO 0.48 0.32 1.02 0.43 -2.03 0.00 0.00 175.02 175.24 1djp n SER 3133N 0.86 -6.11 -4.72 -1.18 7.64 -1.26 -4.93 113.62 103.92 1djp n SER 3133Ca 0.01 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 1djp n SER 3133Cb 0.49 -4.77 -0.03 0.00 -1.01 0.00 0.00 64.21 58.89 1djp n SER 3133CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djp s ALA 3134N -3.27 3.74 -1.33 -0.43 0.00 -1.22 -4.92 121.76 114.32 1djp s ALA 3134Ca 0.51 1.32 0.29 0.00 0.00 0.00 0.00 51.96 54.07 1djp s ALA 3134Cb -0.22 -3.60 1.26 0.00 0.00 0.00 0.00 23.12 20.56 1djp s ALA 3134CO 0.63 -0.74 1.90 -0.40 0.00 0.00 0.00 175.76 177.15 1djp n ASP 3135N 3.94 0.18 -0.16 0.00 5.75 -1.26 -4.35 116.55 120.65 1djp n ASP 3135Ca 0.13 -0.10 -0.09 0.00 -0.01 0.00 0.00 54.79 54.72 1djp n ASP 3135Cb 0.39 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1djp n ASP 3135CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1djp h GLY 3136N 4.99 0.77 0.59 6.12 0.00 -1.89 -2.87 103.07 110.78 1djp h GLY 3136Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1djp h GLY 3136CO 0.00 0.44 -0.23 -0.33 0.00 0.00 0.00 176.54 176.42 1djp h MET 3137N 0.61 -0.41 -0.28 4.80 2.86 -1.96 -1.44 114.93 119.10 1djp h MET 3137Ca 0.15 0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1djp h MET 3137Cb 0.28 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1djp h MET 3137CO -0.00 -0.27 -0.15 1.25 1.06 0.00 0.00 176.91 178.79 1djp h LEU 3138N -0.42 0.48 -0.69 1.22 5.85 -1.86 -1.70 115.31 118.19 1djp h LEU 3138Ca 0.03 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1djp h LEU 3138Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1djp h LEU 3138CO -0.14 0.66 0.32 0.78 -0.34 0.00 0.00 178.44 179.72 1djp h ASN 3139N 0.45 0.92 -0.24 1.25 2.35 -1.25 0.69 115.58 119.75 1djp h ASN 3139Ca 0.08 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 1djp h ASN 3139Cb 0.54 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1djp h ASN 3139CO 0.03 0.81 -0.35 0.25 -1.65 0.00 0.00 177.43 176.53 1djp h LEU 3140N 0.97 0.81 0.03 1.61 6.46 -0.95 0.15 115.31 124.39 1djp h LEU 3140Ca 0.24 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1djp h LEU 3140Cb 0.15 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1djp h LEU 3140CO -0.03 1.08 -0.01 0.22 -0.62 0.00 0.00 178.44 179.08 1djp h TYR 3141N 0.64 -0.04 -0.29 1.25 3.20 -0.98 -1.55 116.97 119.22 1djp h TYR 3141Ca 0.06 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1djp h TYR 3141Cb 0.89 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1djp h TYR 3141CO 0.05 0.09 0.07 -0.91 -1.64 0.00 0.00 178.16 175.81 1djp h ASN 3142N -0.15 0.37 -0.08 -2.11 2.35 -0.74 -0.03 115.58 115.18 1djp h ASN 3142Ca -0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1djp h ASN 3142Cb 0.14 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1djp h ASN 3142CO 0.01 0.38 0.03 0.00 -1.65 0.00 0.00 177.43 176.20 1djp h ALA 3143N 1.67 0.11 -0.31 -0.83 0.00 -0.56 -1.48 119.26 117.87 1djp h ALA 3143Ca 0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1djp h ALA 3143Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1djp h ALA 3143CO -0.00 -0.28 -0.29 0.28 0.00 0.00 0.00 179.25 178.95 1djp h VAL 3144N -0.05 1.28 -0.62 0.00 2.07 -0.91 -0.89 116.25 117.12 1djp h VAL 3144Ca 0.03 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1djp h VAL 3144Cb 0.21 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1djp h VAL 3144CO -0.00 0.45 0.40 0.00 0.02 0.00 0.00 177.57 178.44 1djp h ALA 3145N 1.14 0.79 -0.10 1.67 0.00 -0.91 -2.15 119.26 119.70 1djp h ALA 3145Ca 0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1djp h ALA 3145Cb 0.78 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1djp h ALA 3145CO 0.06 0.19 -0.74 0.28 0.00 0.00 0.00 179.25 179.04 1djp h VAL 3146N 0.81 1.35 0.00 0.00 2.07 -1.06 -3.22 116.25 116.20 1djp h VAL 3146Ca 0.24 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1djp h VAL 3146Cb -0.05 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1djp h VAL 3146CO -0.07 0.64 -0.26 0.00 0.02 0.00 0.00 177.57 177.90 1djp h ALA 3147N 0.83 1.10 -0.56 1.67 0.00 -0.95 -2.75 119.26 118.60 1djp h ALA 3147Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1djp h ALA 3147Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1djp h ALA 3147CO 0.14 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1djp n SER 3148N -3.55 3.17 -4.63 0.00 3.41 -0.83 -4.15 113.62 107.04 1djp n SER 3148Ca -0.01 -1.98 -0.37 0.00 -0.26 0.00 0.00 58.87 56.25 1djp n SER 3148Cb 0.41 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1djp n SER 3148CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1djp s ASN 3149N -1.09 6.13 0.51 4.04 3.84 -1.04 -4.80 114.94 122.54 1djp s ASN 3149Ca 0.40 0.13 0.18 0.00 0.21 0.00 0.00 52.86 53.78 1djp s ASN 3149Cb 0.21 -2.13 1.26 0.00 -0.55 0.00 0.00 41.25 40.04 1djp s ASN 3149CO 0.28 -0.01 2.09 0.50 -2.79 0.00 0.00 177.10 177.17 1djp h LYS 3150N 7.84 0.06 0.00 0.43 3.11 -1.90 0.33 116.57 126.44 1djp h LYS 3150Ca -0.36 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 1djp h LYS 3150Cb 1.17 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1djp h LYS 3150CO 0.63 0.04 0.00 -0.25 -2.81 0.00 0.00 179.45 177.06 1djp n ASP 3151N -4.49 0.46 0.19 4.20 8.00 -1.26 -2.59 116.55 121.06 1djp n ASP 3151Ca 0.02 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.25 1djp n ASP 3151Cb 0.25 -0.71 0.35 0.00 -0.02 0.00 0.00 41.12 40.99 1djp n ASP 3151CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1djp h SER 3152N 0.00 0.00 -3.96 -2.24 0.02 -1.18 -3.46 113.55 102.73 1djp h SER 3152Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1djp h SER 3152Cb 0.37 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.99 1djp h SER 3152CO 0.00 0.00 0.61 -0.13 -1.14 0.00 0.00 176.83 176.17 1djp s ARG 3153N -3.25 3.90 -0.49 3.45 0.52 -1.07 -3.23 118.95 118.78 1djp s ARG 3153Ca 0.07 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 1djp s ARG 3153Cb 0.08 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1djp s ARG 3153CO 0.60 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1djp n GLY 3154N 0.65 0.67 0.15 -3.53 0.00 -0.73 -4.88 105.19 97.53 1djp n GLY 3154Ca 0.04 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1djp n GLY 3154CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1djp n LYS 3155N -1.85 0.36 0.00 1.61 4.76 -1.20 -5.03 118.16 116.82 1djp n LYS 3155Ca -0.05 -0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.10 1djp n LYS 3155Cb 0.28 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1djp n LYS 3155CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1djp n GLY 3156N 1.47 -1.81 3.74 0.72 0.00 -1.26 -4.81 105.19 103.24 1djp n GLY 3156Ca 0.06 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1djp n GLY 3156CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djp s VAL 3157N 0.00 4.06 0.14 1.61 1.01 -1.26 -4.47 120.40 121.49 1djp s VAL 3157Ca 0.00 1.79 0.10 0.00 0.00 0.00 0.00 61.98 63.88 1djp s VAL 3157Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1djp s VAL 3157CO 0.00 0.31 -0.22 -0.76 0.00 0.00 0.00 175.10 174.44 1djp s LEU 3158N -0.37 2.53 -0.14 3.92 1.43 0.14 -0.23 118.68 125.96 1djp s LEU 3158Ca 0.48 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1djp s LEU 3158Cb -0.27 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1djp s LEU 3158CO 0.33 0.16 -0.14 -0.69 0.23 0.00 0.00 176.35 176.24 1djp s VAL 3159N -1.26 1.56 -0.56 -1.59 1.01 -0.03 -0.04 120.40 119.49 1djp s VAL 3159Ca 0.18 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1djp s VAL 3159Cb -0.10 -1.45 0.14 0.00 0.00 0.00 0.00 36.38 34.98 1djp s VAL 3159CO 0.09 0.46 0.35 0.42 0.00 0.00 0.00 175.10 176.41 1djp s THR 3160N 1.35 3.34 0.03 3.92 -4.23 -1.18 -0.60 115.64 118.27 1djp s THR 3160Ca 0.02 -2.88 0.00 0.00 -1.18 0.00 0.00 61.69 57.65 1djp s THR 3160Cb -0.13 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.45 1djp s THR 3160CO -0.08 -0.82 -0.04 -0.04 -0.54 0.00 0.00 174.62 173.10 1djp s MET 3161N 0.10 0.39 -1.40 3.99 -1.94 -1.18 -4.68 119.30 114.58 1djp s MET 3161Ca 0.15 -0.73 -0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1djp s MET 3161Cb -0.22 0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.73 1djp s MET 3161CO -0.03 -0.05 1.12 -1.71 -0.01 0.00 0.00 175.02 174.34 1djp n ASN 3162N 1.34 -5.68 -0.20 3.03 5.15 -1.26 -1.70 115.26 115.95 1djp n ASN 3162Ca -0.22 -0.61 -0.03 0.00 -0.60 0.00 0.00 54.58 53.12 1djp n ASN 3162Cb 0.56 -4.71 -0.01 0.00 -0.53 0.00 0.00 39.78 35.09 1djp n ASN 3162CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1djp n ASP 3163N -2.97 -5.69 -4.77 1.20 10.43 -1.26 -4.97 116.55 108.52 1djp n ASP 3163Ca -0.00 0.06 -0.22 0.00 2.57 0.00 0.00 54.79 57.20 1djp n ASP 3163Cb 0.56 -3.42 -0.05 0.00 1.84 0.00 0.00 41.12 40.05 1djp n ASP 3163CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1djp s GLU 3164N -2.07 2.51 -0.32 -1.24 2.02 -0.69 -1.48 118.70 117.44 1djp s GLU 3164Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.57 1djp s GLU 3164Cb 0.00 -2.30 0.07 0.00 0.10 0.00 0.00 34.13 32.01 1djp s GLU 3164CO 0.00 0.15 0.02 0.42 0.02 0.00 0.00 175.26 175.86 1djp s ILE 3165N -2.36 2.66 0.07 -1.63 1.01 -0.52 -3.09 121.20 117.35 1djp s ILE 3165Ca 0.38 -1.79 0.03 0.00 0.00 0.00 0.00 60.65 59.27 1djp s ILE 3165Cb -0.04 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1djp s ILE 3165CO 0.24 -0.30 0.08 -1.10 0.00 0.00 0.00 174.94 173.86 1djp s GLN 3166N 1.11 2.90 0.17 2.79 -1.52 0.23 0.02 119.66 125.37 1djp s GLN 3166Ca -0.00 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 1djp s GLN 3166Cb -0.20 -2.74 -0.07 0.00 -0.22 0.00 0.00 33.01 29.77 1djp s GLN 3166CO -0.04 0.57 1.11 0.45 -0.25 0.00 0.00 175.29 177.13 1djp s SER 3167N -2.32 7.25 0.55 5.90 0.15 -1.26 -0.85 113.70 123.12 1djp s SER 3167Ca 0.29 2.09 0.32 0.00 0.70 0.00 0.00 55.95 59.35 1djp s SER 3167Cb -0.12 -2.60 1.57 0.00 -1.71 0.00 0.00 66.02 63.15 1djp s SER 3167CO 0.21 -0.24 2.09 1.23 1.20 0.00 0.00 173.24 177.73 1djp h GLY 3168N 5.19 0.00 0.84 9.45 0.00 -0.92 -2.80 103.07 114.84 1djp h GLY 3168Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1djp h GLY 3168CO 0.73 0.00 -0.41 -0.09 0.00 0.00 0.00 176.54 176.77 1djp h ARG 3169N 0.00 -1.09 -0.30 4.80 2.43 -1.83 -3.08 114.38 115.30 1djp h ARG 3169Ca -0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1djp h ARG 3169Cb 0.35 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1djp h ARG 3169CO 0.01 -0.73 0.00 -0.40 -1.51 0.00 0.00 179.97 177.34 1djp n ASP 3170N -5.39 2.80 -4.80 -3.80 3.85 -1.24 -4.81 116.55 103.16 1djp n ASP 3170Ca -0.14 -2.00 -0.34 0.00 -0.71 0.00 0.00 54.79 51.60 1djp n ASP 3170Cb 0.45 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 39.98 1djp n ASP 3170CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1djp s VAL 3171N -1.00 3.78 -0.04 2.12 0.11 -1.06 -4.38 120.40 119.94 1djp s VAL 3171Ca 0.20 1.11 -0.21 0.00 -2.93 0.00 0.00 61.98 60.15 1djp s VAL 3171Cb 0.10 -3.45 0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1djp s VAL 3171CO 0.14 -0.24 0.45 -0.55 -3.33 0.00 0.00 175.10 171.57 1djp s SER 3172N -1.99 -0.38 -0.54 3.54 0.15 0.34 -4.79 113.70 110.03 1djp s SER 3172Ca 0.67 0.37 -0.28 0.00 0.70 0.00 0.00 55.95 57.41 1djp s SER 3172Cb -0.16 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1djp s SER 3172CO 0.20 -0.49 1.50 -0.75 1.20 0.00 0.00 173.24 174.91 1djp s LYS 3173N -1.18 3.23 -0.03 5.44 2.20 -1.26 -1.40 119.74 126.74 1djp s LYS 3173Ca -0.12 0.57 0.12 0.00 -0.36 0.00 0.00 55.97 56.19 1djp s LYS 3173Cb -0.03 -4.16 -0.18 0.00 -1.51 0.00 0.00 37.83 31.94 1djp s LYS 3173CO 0.06 -2.02 0.24 0.43 -0.36 0.00 0.00 175.35 173.70 1djp n SER 3174N 10.01 2.21 -4.05 1.43 7.64 0.77 -4.98 113.62 126.65 1djp n SER 3174Ca 0.14 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.77 1djp n SER 3174Cb 0.49 1.46 -0.16 0.00 -1.01 0.00 0.00 64.21 64.99 1djp n SER 3174CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1djp s ILE 3175N -2.78 1.23 0.44 0.44 1.01 -0.83 -5.07 121.20 115.65 1djp s ILE 3175Ca -0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 1djp s ILE 3175Cb 0.07 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1djp s ILE 3175CO 0.50 0.37 0.79 0.20 0.00 0.00 0.00 174.94 176.81 1djp s ASN 3176N 0.55 6.42 0.00 3.58 0.01 -1.26 -4.28 114.94 119.96 1djp s ASN 3176Ca -0.13 1.08 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 1djp s ASN 3176Cb -0.15 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1djp s ASN 3176CO 0.04 -0.49 0.00 -0.38 -1.51 0.00 0.00 177.10 174.76 1djp n ILE 3177N -1.71 0.00 -2.07 0.60 5.41 -1.26 -4.93 119.36 115.40 1djp n ILE 3177Ca 0.02 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.43 1djp n ILE 3177Cb 0.54 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.49 1djp n ILE 3177CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1djp s LYS 3178N 0.00 3.22 0.53 0.38 1.02 -1.26 -4.88 119.74 118.75 1djp s LYS 3178Ca 0.00 1.38 0.30 0.00 0.02 0.00 0.00 55.97 57.67 1djp s LYS 3178Cb 0.00 -2.01 1.44 0.00 -0.52 0.00 0.00 37.83 36.74 1djp s LYS 3178CO 0.00 -0.91 2.04 1.79 -0.92 0.00 0.00 175.35 177.35 1djp h THR 3179N 0.64 0.41 -0.21 2.17 1.35 -1.93 -2.72 112.91 112.62 1djp h THR 3179Ca -0.48 -0.59 -0.07 0.00 -0.55 0.00 0.00 66.41 64.71 1djp h THR 3179Cb 1.24 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 69.03 1djp h THR 3179CO 0.56 0.11 0.09 -1.84 -0.25 0.00 0.00 175.52 174.20 1djp n GLU 3180N -3.44 1.64 -0.34 4.72 0.28 -1.26 -4.50 120.64 117.74 1djp n GLU 3180Ca -0.01 -0.80 0.20 0.00 -0.16 0.00 0.00 57.16 56.38 1djp n GLU 3180Cb 0.27 -1.48 0.44 0.00 1.43 0.00 0.00 31.44 32.09 1djp n GLU 3180CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1djp h ALA 3181N 2.09 1.98 -2.59 -1.84 0.00 -1.66 -3.41 119.26 113.82 1djp h ALA 3181Ca 0.09 0.09 -0.61 0.00 0.00 0.00 0.00 54.91 54.49 1djp h ALA 3181Cb 1.22 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1djp h ALA 3181CO 0.22 -0.42 0.03 -0.06 0.00 0.00 0.00 179.25 179.02 1djp s PHE 3182N -5.66 3.31 0.13 0.00 0.40 -1.26 -0.16 117.98 114.74 1djp s PHE 3182Ca -0.10 0.73 0.03 0.00 -0.60 0.00 0.00 56.93 57.00 1djp s PHE 3182Cb 0.26 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1djp s PHE 3182CO 0.80 -0.24 -0.08 0.15 0.70 0.00 0.00 175.22 176.55 1djp s LYS 3183N 2.15 0.98 -0.01 0.44 -0.14 -0.49 -4.89 119.74 117.78 1djp s LYS 3183Ca 0.24 -1.42 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 1djp s LYS 3183Cb -0.16 -0.45 0.00 0.00 -1.68 0.00 0.00 37.83 35.55 1djp s LYS 3183CO 0.09 0.03 -0.04 0.45 -0.76 0.00 0.00 175.35 175.12 1djp s SER 3184N -3.12 0.61 0.59 2.83 0.15 -1.26 -0.51 113.70 112.99 1djp s SER 3184Ca 0.15 -0.09 0.39 0.00 0.70 0.00 0.00 55.95 57.11 1djp s SER 3184Cb 0.04 -0.14 2.09 0.00 -1.71 0.00 0.00 66.02 66.29 1djp s SER 3184CO -0.01 0.02 2.20 0.00 1.20 0.00 0.00 173.24 176.65 1djp h ALA 3185N 6.36 1.00 -0.34 5.45 0.00 -1.77 -2.33 119.26 127.63 1djp h ALA 3185Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1djp h ALA 3185Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1djp h ALA 3185CO 0.50 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.66 1djp n TRP 3186N -2.92 0.69 -0.24 0.00 7.02 -1.26 -4.97 117.44 115.76 1djp n TRP 3186Ca -0.02 -0.63 0.03 0.00 -1.02 0.00 0.00 57.50 55.86 1djp n TRP 3186Cb 0.09 -0.13 -0.01 0.00 -2.42 0.00 0.00 31.31 28.83 1djp n TRP 3186CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1djp n GLY 3187N 0.23 -2.37 3.82 6.99 0.00 -0.88 -4.95 105.19 108.02 1djp n GLY 3187Ca 0.16 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1djp n GLY 3187CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1djp s PRO 3188N -2.67 3.31 0.14 1.61 0.04 -1.26 -4.79 135.00 131.38 1djp s PRO 3188Ca 0.00 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1djp s PRO 3188Cb 0.00 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1djp s PRO 3188CO 0.00 -0.81 1.31 -0.07 0.04 0.00 0.00 177.00 177.48 1djp h LEU 3189N 0.04 0.26 0.00 -3.56 3.38 -0.71 -3.43 115.31 111.29 1djp h LEU 3189Ca -0.45 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1djp h LEU 3189Cb 1.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1djp h LEU 3189CO 0.58 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.81 1djp n GLY 3190N 1.08 1.75 3.17 0.83 0.00 -1.10 -0.41 105.19 110.50 1djp n GLY 3190Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 1djp n GLY 3190CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1djp s MET 3191N 1.60 0.75 -0.17 1.61 -1.94 0.38 -1.43 119.30 120.10 1djp s MET 3191Ca 0.00 -0.98 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 1djp s MET 3191Cb 0.00 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.17 1djp s MET 3191CO 0.00 -0.21 -0.12 0.08 -0.01 0.00 0.00 175.02 174.76 1djp s VAL 3192N -3.67 1.58 -0.07 -6.03 1.01 -0.55 -0.08 120.40 112.58 1djp s VAL 3192Ca 0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1djp s VAL 3192Cb 0.05 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1djp s VAL 3192CO -0.10 0.32 -0.01 -0.69 0.00 0.00 0.00 175.10 174.63 1djp s VAL 3193N 1.46 0.45 -1.36 2.92 1.01 -0.18 -4.70 120.40 120.01 1djp s VAL 3193Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1djp s VAL 3193Cb -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1djp s VAL 3193CO -0.10 0.26 0.66 -0.62 0.00 0.00 0.00 175.10 175.31 1djp n GLU 3194N 4.99 -4.55 -0.30 2.72 1.02 -1.26 -1.94 120.64 121.32 1djp n GLU 3194Ca -0.10 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1djp n GLU 3194Cb 0.50 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 1djp n GLU 3194CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1djp n GLY 3195N -1.68 2.02 3.82 0.62 0.00 -1.26 -5.00 105.19 103.71 1djp n GLY 3195Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1djp n GLY 3195CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1djp s LYS 3196N -0.05 3.56 -0.14 1.61 2.36 -0.82 -4.84 119.74 121.42 1djp s LYS 3196Ca 0.00 -0.18 -0.06 0.00 -2.55 0.00 0.00 55.97 53.18 1djp s LYS 3196Cb 0.00 -3.19 -0.04 0.00 -1.05 0.00 0.00 37.83 33.55 1djp s LYS 3196CO 0.00 0.66 0.07 -1.12 1.55 0.00 0.00 175.35 176.51 1djp s SER 3197N -0.71 5.73 -0.18 1.43 0.01 -1.26 -1.01 113.70 117.73 1djp s SER 3197Ca 0.13 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.59 1djp s SER 3197Cb -0.12 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1djp s SER 3197CO 0.03 0.29 -0.12 -0.31 0.41 0.00 0.00 173.24 173.53 1djp s TYR 3198N -0.30 2.31 -0.07 2.43 1.51 0.88 -4.99 117.35 119.13 1djp s TYR 3198Ca 0.09 -1.43 -0.09 0.00 -1.01 0.00 0.00 57.07 54.63 1djp s TYR 3198Cb -0.12 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 1djp s TYR 3198CO 0.02 -0.71 0.22 -1.58 -1.11 0.00 0.00 175.55 172.39 1djp s TRP 3199N 1.43 3.63 0.00 2.71 0.52 -1.26 -0.47 118.94 125.50 1djp s TRP 3199Ca 0.02 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.78 1djp s TRP 3199Cb -0.15 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.14 1djp s TRP 3199CO -0.09 0.70 0.00 1.19 0.02 0.00 0.00 176.95 178.76 1djp n PHE 3200N 1.79 0.00 -3.94 -1.98 3.01 0.45 -4.96 117.46 111.84 1djp n PHE 3200Ca -0.17 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1djp n PHE 3200Cb 0.54 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.92 1djp n PHE 3200CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1djp s ARG 3201N -0.90 0.71 0.09 -1.08 1.81 -0.42 -5.03 118.95 114.12 1djp s ARG 3201Ca 0.00 -0.96 0.08 0.00 -1.72 0.00 0.00 55.73 53.13 1djp s ARG 3201Cb 0.00 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1djp s ARG 3201CO 0.00 -0.19 -0.22 -0.51 -0.68 0.00 0.00 175.30 173.70 1djp s LEU 3202N -2.66 2.26 0.48 2.53 1.43 -1.26 -4.79 118.68 116.68 1djp s LEU 3202Ca 0.03 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.27 1djp s LEU 3202Cb 0.04 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 1djp s LEU 3202CO -0.09 0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.51 1djp s PRO 3203N -1.69 3.76 -0.00 1.29 0.04 -1.26 -4.96 135.00 132.17 1djp s PRO 3203Ca 0.08 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.66 1djp s PRO 3203Cb -0.10 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1djp s PRO 3203CO 0.04 -0.48 0.35 0.00 0.04 0.00 0.00 177.00 176.95 1djp n ALA 3204N -0.89 3.05 -2.51 8.56 0.00 -1.26 -5.03 120.51 122.43 1djp n ALA 3204Ca 0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1djp n ALA 3204Cb 0.52 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1djp n ALA 3204CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1djp s LYS 3205N -1.94 3.68 0.40 0.00 -0.14 -1.26 -5.05 119.74 115.42 1djp s LYS 3205Ca 0.02 0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 54.43 1djp s LYS 3205Cb 0.07 -2.68 -0.09 0.00 -1.68 0.00 0.00 37.83 33.45 1djp s LYS 3205CO 0.37 0.28 1.41 1.03 -0.76 0.00 0.00 175.35 177.68 1djp s ARG 3206N -3.22 3.96 0.28 1.68 0.52 -0.31 -4.99 118.95 116.86 1djp s ARG 3206Ca 0.44 2.40 -0.21 0.00 -0.52 0.00 0.00 55.73 57.85 1djp s ARG 3206Cb -0.11 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.55 1djp s ARG 3206CO 0.27 -0.59 0.71 -3.38 0.02 0.00 0.00 175.30 172.33 1djp s HIS 3207N -1.18 -0.16 0.00 -0.53 -3.43 -1.26 -4.73 115.29 104.00 1djp s HIS 3207Ca 0.56 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 1djp s HIS 3207Cb -0.43 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 1djp s HIS 3207CO 0.57 -1.24 0.00 0.25 -2.00 0.00 0.00 174.74 172.32 1djp n THR 3208N -0.46 0.00 0.24 -5.38 -2.24 0.49 -0.35 114.28 106.58 1djp n THR 3208Ca -0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1djp n THR 3208Cb 0.59 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.42 1djp n THR 3208CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1djp h VAL 3209N 0.00 0.82 -0.48 2.28 -1.51 -1.71 -2.91 116.25 112.74 1djp h VAL 3209Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1djp h VAL 3209Cb 0.00 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1djp h VAL 3209CO 0.00 0.18 0.00 -0.46 -1.23 0.00 0.00 177.57 176.06 1djp n ASN 3210N -3.88 4.83 -4.83 4.19 6.94 0.53 -4.93 115.26 118.11 1djp n ASN 3210Ca -0.02 -2.82 -0.36 0.00 -0.02 0.00 0.00 54.58 51.37 1djp n ASN 3210Cb 0.28 -0.60 -0.06 0.00 -2.36 0.00 0.00 39.78 37.04 1djp n ASN 3210CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1djp s SER 3211N -1.19 6.91 0.00 0.53 0.15 -1.10 -4.54 113.70 114.47 1djp s SER 3211Ca 0.48 1.19 0.24 0.00 0.70 0.00 0.00 55.95 58.57 1djp s SER 3211Cb 0.36 -2.33 1.15 0.00 -1.71 0.00 0.00 66.02 63.50 1djp s SER 3211CO 0.15 0.10 1.78 -1.84 1.20 0.00 0.00 173.24 174.63 1djp n GLU 3212N 0.85 1.39 -4.08 5.44 0.28 -1.26 -4.85 120.64 118.40 1djp n GLU 3212Ca -0.05 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.16 56.10 1djp n GLU 3212Cb 0.51 -1.41 -0.06 0.00 1.43 0.00 0.00 31.44 31.91 1djp n GLU 3212CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1djp s PHE 3213N -1.94 3.14 -0.15 -1.84 0.40 -1.26 -5.11 117.98 111.21 1djp s PHE 3213Ca 0.36 0.00 -0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1djp s PHE 3213Cb 0.18 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 42.25 1djp s PHE 3213CO 0.29 0.52 0.31 0.34 0.70 0.00 0.00 175.22 177.38 1djp s ASP 3214N -2.86 0.17 0.57 1.36 3.68 -1.26 -4.62 116.67 113.71 1djp s ASP 3214Ca 0.30 0.71 0.27 0.00 2.13 0.00 0.00 52.55 55.96 1djp s ASP 3214Cb -0.11 0.90 1.57 0.00 -1.45 0.00 0.00 42.92 43.83 1djp s ASP 3214CO 0.22 -0.24 2.09 -0.29 0.13 0.00 0.00 175.17 177.09 1djp h ILE 3215N 6.25 0.58 -0.05 4.11 6.09 -1.72 -1.84 117.51 130.93 1djp h ILE 3215Ca -0.15 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.30 1djp h ILE 3215Cb 1.11 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 1djp h ILE 3215CO 0.13 0.00 -0.16 0.11 -3.07 0.00 0.00 178.15 175.16 1djp h LYS 3216N 0.00 0.07 0.00 2.19 1.79 -1.96 -2.59 116.57 116.07 1djp h LYS 3216Ca 0.10 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1djp h LYS 3216Cb 0.51 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1djp h LYS 3216CO -0.00 0.24 -0.80 1.96 -1.08 0.00 0.00 179.45 179.77 1djp h GLN 3217N 0.07 0.00 -6.09 3.15 4.20 -1.76 -3.46 115.11 111.22 1djp h GLN 3217Ca 0.01 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.15 1djp h GLN 3217Cb 0.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1djp h GLN 3217CO 0.02 0.09 0.81 0.42 -0.67 0.00 0.00 178.83 179.51 1djp s ILE 3218N -3.22 4.62 -0.20 2.54 1.01 -0.98 -4.92 121.20 120.05 1djp s ILE 3218Ca 0.01 1.96 0.08 0.00 0.00 0.00 0.00 60.65 62.70 1djp s ILE 3218Cb 0.08 -4.26 -0.22 0.00 0.01 0.00 0.00 42.46 38.07 1djp s ILE 3218CO 0.76 -0.17 0.03 -1.20 0.00 0.00 0.00 174.94 174.36 1djp n SER 3219N 6.36 1.19 -3.55 3.58 7.64 -1.26 -4.99 113.62 122.58 1djp n SER 3219Ca 0.12 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.83 1djp n SER 3219Cb 0.46 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1djp n SER 3219CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djp s SER 3220N -6.17 -0.60 0.08 6.43 1.04 -1.26 -5.12 113.70 108.10 1djp s SER 3220Ca -0.22 0.62 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 1djp s SER 3220Cb 0.08 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 1djp s SER 3220CO 0.72 -0.60 0.38 -0.76 0.98 0.00 0.00 173.24 173.96 1djp s LEU 3221N -1.25 4.33 0.56 2.42 2.01 -1.26 -5.03 118.68 120.46 1djp s LEU 3221Ca -0.11 0.72 -0.19 0.00 0.01 0.00 0.00 54.13 54.55 1djp s LEU 3221Cb -0.01 -3.00 -0.05 0.00 0.01 0.00 0.00 46.19 43.14 1djp s LEU 3221CO 0.09 0.16 1.16 -2.84 1.01 0.00 0.00 176.35 175.93 1djp s PRO 3222N -2.04 3.25 -0.08 1.29 0.02 -1.26 -4.96 135.00 131.22 1djp s PRO 3222Ca 0.34 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 1djp s PRO 3222Cb -0.13 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 1djp s PRO 3222CO 0.19 -0.95 1.13 -1.14 -0.33 0.00 0.00 177.00 175.90 1djp s GLN 3223N -3.27 4.37 -0.03 5.54 0.74 -1.26 -4.83 119.66 120.92 1djp s GLN 3223Ca 0.74 1.56 0.02 0.00 0.05 0.00 0.00 55.36 57.73 1djp s GLN 3223Cb -0.26 -3.56 0.01 0.00 1.10 0.00 0.00 33.01 30.30 1djp s GLN 3223CO 0.29 -0.41 -0.07 0.08 -0.55 0.00 0.00 175.29 174.63 1djp s VAL 3224N 2.19 0.64 0.23 1.34 1.01 -1.26 -0.24 120.40 124.31 1djp s VAL 3224Ca 0.53 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1djp s VAL 3224Cb -0.22 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1djp s VAL 3224CO 0.20 0.22 -0.03 -1.81 0.00 0.00 0.00 175.10 173.68 1djp s ASP 3225N 0.38 2.00 -0.09 3.32 1.01 -1.04 -5.02 116.67 117.23 1djp s ASP 3225Ca -0.05 -1.18 0.04 0.00 0.71 0.00 0.00 52.55 52.06 1djp s ASP 3225Cb -0.10 -0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1djp s ASP 3225CO 0.00 -0.45 -0.23 -0.63 0.21 0.00 0.00 175.17 174.08 1djp s ILE 3226N -3.33 1.94 -0.09 0.77 1.01 -1.26 0.07 121.20 120.32 1djp s ILE 3226Ca 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1djp s ILE 3226Cb 0.05 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1djp s ILE 3226CO 0.08 0.54 -0.13 0.00 0.00 0.00 0.00 174.94 175.43 1djp s ALA 3227N 0.31 2.67 0.06 9.38 0.00 -0.34 -4.95 121.76 128.90 1djp s ALA 3227Ca -0.16 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1djp s ALA 3227Cb -0.17 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.77 1djp s ALA 3227CO 0.08 0.40 0.50 -0.47 0.00 0.00 0.00 175.76 176.27 1djp s TYR 3228N -0.19 3.73 -0.00 0.00 5.04 -1.26 -0.70 117.35 123.97 1djp s TYR 3228Ca 0.00 1.12 0.05 0.00 -2.44 0.00 0.00 57.07 55.80 1djp s TYR 3228Cb -0.13 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.76 1djp s TYR 3228CO 0.03 0.58 -0.14 0.45 -1.34 0.00 0.00 175.55 175.13 1djp s SER 3229N -1.24 4.10 0.13 4.32 0.15 -0.67 -4.92 113.70 115.57 1djp s SER 3229Ca 0.29 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 1djp s SER 3229Cb -0.17 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.34 1djp s SER 3229CO 0.17 0.30 0.35 0.00 1.20 0.00 0.00 173.24 175.26 1djp n TYR 3230N 1.85 -1.32 -2.12 3.44 4.11 -1.26 -4.49 117.16 117.36 1djp n TYR 3230Ca -0.16 -0.67 -0.41 0.00 -0.00 0.00 0.00 57.90 56.66 1djp n TYR 3230Cb 0.52 0.33 -0.03 0.00 -0.00 0.00 0.00 39.34 40.17 1djp n TYR 3230CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1djp s GLY 3231N -2.06 2.46 -1.24 -7.48 0.00 -1.26 -2.68 107.32 95.05 1djp s GLY 3231Ca 0.07 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1djp s GLY 3231CO 0.04 2.14 0.00 -2.01 0.00 0.00 0.00 173.10 173.27 1djp n ASN 3232N 2.29 -4.39 -4.77 1.64 5.15 -1.26 -4.99 115.26 108.93 1djp n ASN 3232Ca 0.06 0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.94 1djp n ASN 3232Cb 0.42 -2.96 -0.00 0.00 -0.53 0.00 0.00 39.78 36.70 1djp n ASN 3232CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1djp s VAL 3233N -2.45 2.93 0.52 3.44 0.11 -1.09 -5.05 120.40 118.82 1djp s VAL 3233Ca 0.00 0.70 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1djp s VAL 3233Cb 0.00 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1djp s VAL 3233CO 0.00 -0.01 0.10 0.42 -3.33 0.00 0.00 175.10 172.28 1djp s THR 3234N -1.51 1.28 -2.04 5.04 -4.23 -1.26 -4.86 115.64 108.07 1djp s THR 3234Ca 0.65 -1.87 0.30 0.00 -1.18 0.00 0.00 61.69 59.58 1djp s THR 3234Cb -0.31 -2.15 0.65 0.00 1.34 0.00 0.00 72.50 72.04 1djp s THR 3234CO 0.37 0.00 1.96 -0.90 -0.54 0.00 0.00 174.62 175.51 1djp n ASP 3235N -1.39 0.61 -0.28 3.99 5.68 -1.26 -4.47 116.55 119.42 1djp n ASP 3235Ca -0.15 -1.01 -0.05 0.00 -0.50 0.00 0.00 54.79 53.07 1djp n ASP 3235Cb 0.66 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1djp n ASP 3235CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1djp h THR 3236N 0.90 0.08 -0.59 2.12 2.02 -1.98 -1.18 112.91 114.27 1djp h THR 3236Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1djp h THR 3236Cb 0.27 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1djp h THR 3236CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 1djp h ALA 3237N 0.96 1.02 -0.28 6.16 0.00 -1.99 -2.06 119.26 123.07 1djp h ALA 3237Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djp h ALA 3237Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1djp h ALA 3237CO -0.80 0.62 0.16 1.88 0.00 0.00 0.00 179.25 181.11 1djp h TYR 3238N 0.91 0.38 -0.22 0.00 -1.99 -1.55 -2.41 116.97 112.09 1djp h TYR 3238Ca 0.18 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.72 1djp h TYR 3238Cb 0.42 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1djp h TYR 3238CO 0.03 0.30 -0.61 0.87 -0.00 0.00 0.00 178.16 178.75 1djp h LYS 3239N 0.35 0.76 -0.72 4.88 1.57 -1.30 -2.96 116.57 119.16 1djp h LYS 3239Ca 0.10 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1djp h LYS 3239Cb 0.04 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1djp h LYS 3239CO -0.02 1.14 0.24 0.00 -0.57 0.00 0.00 179.45 180.24 1djp h ALA 3240N 0.74 0.94 -0.41 3.86 0.00 -1.31 -0.78 119.26 122.30 1djp h ALA 3240Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1djp h ALA 3240Cb 1.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1djp h ALA 3240CO 0.13 0.61 -0.19 -0.07 0.00 0.00 0.00 179.25 179.72 1djp h LEU 3241N 1.06 0.88 -0.59 0.00 -0.00 -1.50 -2.45 115.31 112.71 1djp h LEU 3241Ca 0.23 -0.40 -0.06 0.00 -0.00 0.00 0.00 57.88 57.66 1djp h LEU 3241Cb 0.29 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1djp h LEU 3241CO -0.01 1.09 0.15 0.00 -0.00 0.00 0.00 178.44 179.67 1djp h ALA 3242N 0.82 0.78 0.00 1.53 0.00 -1.36 -2.33 119.26 118.70 1djp h ALA 3242Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1djp h ALA 3242Cb 0.75 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1djp h ALA 3242CO 0.06 0.48 -0.03 1.96 0.00 0.00 0.00 179.25 181.72 1djp h GLN 3243N 0.85 0.00 -0.41 0.00 4.20 -1.10 -2.42 115.11 116.23 1djp h GLN 3243Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1djp h GLN 3243Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1djp h GLN 3243CO 0.00 0.03 0.00 -1.71 -0.67 0.00 0.00 178.83 176.48 1djp n ASN 3244N -3.16 2.23 0.00 1.46 5.15 -0.91 -4.92 115.26 115.11 1djp n ASN 3244Ca -0.00 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 1djp n ASN 3244Cb 0.28 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1djp n ASN 3244CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djp n GLY 3245N 1.17 1.17 3.68 8.20 0.00 -0.91 -5.06 105.19 113.43 1djp n GLY 3245Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 1djp n GLY 3245CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djp n ALA 3246N -0.87 0.72 0.14 4.61 0.00 -1.01 -4.70 120.51 119.40 1djp n ALA 3246Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.76 1djp n ALA 3246Cb 0.00 -2.46 0.07 0.00 0.00 0.00 0.00 19.45 17.06 1djp n ALA 3246CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1djp h LYS 3247N 9.01 0.00 -2.97 0.00 1.79 -0.97 -3.43 116.57 119.99 1djp h LYS 3247Ca -0.48 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.86 1djp h LYS 3247Cb 1.28 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.71 1djp h LYS 3247CO 0.95 0.50 -0.29 0.00 -1.08 0.00 0.00 179.45 179.54 1djp s ALA 3248N -3.05 -0.82 -0.09 3.86 0.00 -1.23 -2.16 121.76 118.27 1djp s ALA 3248Ca 0.03 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1djp s ALA 3248Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1djp s ALA 3248CO 0.74 -0.22 -0.21 -0.51 0.00 0.00 0.00 175.76 175.56 1djp s LEU 3249N -0.71 2.29 -0.39 0.00 1.43 -0.36 -2.50 118.68 118.43 1djp s LEU 3249Ca -0.08 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 1djp s LEU 3249Cb -0.04 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1djp s LEU 3249CO 0.03 0.19 0.56 -0.63 0.23 0.00 0.00 176.35 176.73 1djp s ILE 3250N 0.15 4.95 -0.58 -0.59 -1.09 0.11 -2.02 121.20 122.14 1djp s ILE 3250Ca -0.11 0.18 -0.26 0.00 -2.23 0.00 0.00 60.65 58.23 1djp s ILE 3250Cb -0.16 -4.07 0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1djp s ILE 3250CO 0.06 -0.39 1.08 -2.28 -1.23 0.00 0.00 174.94 172.18 1djp s HIS 3251N 2.54 2.67 -1.33 3.97 5.65 -0.18 -1.20 115.29 127.40 1djp s HIS 3251Ca 0.20 0.17 -0.11 0.00 0.25 0.00 0.00 55.06 55.56 1djp s HIS 3251Cb -0.15 -4.32 0.12 0.00 -1.18 0.00 0.00 32.58 27.05 1djp s HIS 3251CO 0.15 -1.51 1.94 0.00 -0.65 0.00 0.00 174.74 174.67 1djp n ALA 3252N 8.05 5.22 -1.35 1.58 0.00 0.12 -0.56 120.51 133.57 1djp n ALA 3252Ca 0.05 -4.16 -0.29 0.00 0.00 0.00 0.00 53.44 49.04 1djp n ALA 3252Cb 0.48 -3.18 0.18 0.00 0.00 0.00 0.00 19.45 16.93 1djp n ALA 3252CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djp s GLY 3253N 1.88 1.59 0.43 0.00 0.00 -1.02 -1.67 107.32 108.53 1djp s GLY 3253Ca 0.43 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 44.36 1djp s GLY 3253CO -0.02 0.02 0.81 -0.51 0.00 0.00 0.00 173.10 173.40 1djp s THR 3254N -3.18 4.74 0.00 0.90 -4.23 -1.25 -1.22 115.64 111.40 1djp s THR 3254Ca 0.67 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 1djp s THR 3254Cb -0.13 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1djp s THR 3254CO 0.55 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1djp n GLY 3255N -1.39 2.91 2.41 3.99 0.00 -1.26 -1.35 105.19 110.50 1djp n GLY 3255Ca 0.03 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1djp n GLY 3255CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djp n ASN 3256N 2.36 7.97 -2.70 1.61 2.85 -1.26 -4.53 115.26 121.56 1djp n ASN 3256Ca 0.00 -2.74 -0.21 0.00 -0.11 0.00 0.00 54.58 51.53 1djp n ASN 3256Cb 0.00 -1.53 0.01 0.00 1.24 0.00 0.00 39.78 39.50 1djp n ASN 3256CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1djp n GLY 3257N 3.22 -0.51 3.76 8.20 0.00 -1.15 -4.57 105.19 114.14 1djp n GLY 3257Ca 0.71 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 46.41 1djp n GLY 3257CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djp s SER 3258N -2.34 5.70 -0.10 1.61 0.01 -0.46 -4.82 113.70 113.31 1djp s SER 3258Ca 0.14 2.55 0.03 0.00 1.31 0.00 0.00 55.95 59.99 1djp s SER 3258Cb -0.06 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1djp s SER 3258CO 0.17 -1.26 -0.21 -0.69 0.41 0.00 0.00 173.24 171.66 1djp s VAL 3259N -1.41 1.87 0.41 3.43 1.01 -1.26 -3.79 120.40 120.65 1djp s VAL 3259Ca 0.68 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 1djp s VAL 3259Cb -0.35 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1djp s VAL 3259CO 0.42 0.52 1.43 -0.55 0.00 0.00 0.00 175.10 176.92 1djp s SER 3260N 0.47 6.16 0.48 3.32 0.15 -1.26 -4.84 113.70 118.18 1djp s SER 3260Ca -0.17 2.93 0.22 0.00 0.70 0.00 0.00 55.95 59.64 1djp s SER 3260Cb -0.17 -2.66 1.25 0.00 -1.71 0.00 0.00 66.02 62.73 1djp s SER 3260CO 0.07 -0.99 1.94 0.77 1.20 0.00 0.00 173.24 176.23 1djp h SER 3261N 2.69 0.18 -0.11 5.45 4.64 -1.99 0.13 113.55 124.54 1djp h SER 3261Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1djp h SER 3261Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1djp h SER 3261CO 0.63 0.09 0.00 -2.11 -0.87 0.00 0.00 176.83 174.57 1djp n ARG 3262N -4.41 1.58 -0.00 4.77 1.85 -1.26 -3.65 116.66 115.53 1djp n ARG 3262Ca 0.14 -0.86 0.04 0.00 -1.00 0.00 0.00 57.85 56.17 1djp n ARG 3262Cb 0.65 -1.40 -0.07 0.00 -1.05 0.00 0.00 32.46 30.59 1djp n ARG 3262CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1djp n VAL 3263N 0.07 0.00 -0.14 8.89 0.31 0.39 -4.58 118.33 123.27 1djp n VAL 3263Ca 0.17 -0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1djp n VAL 3263Cb 0.28 0.33 0.04 0.00 -0.91 0.00 0.00 33.84 33.59 1djp n VAL 3263CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1djp h VAL 3264N 0.00 0.88 -0.47 2.52 2.07 -1.48 -2.52 116.25 117.26 1djp h VAL 3264Ca 0.00 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1djp h VAL 3264Cb 0.40 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1djp h VAL 3264CO 0.00 0.07 0.20 -0.65 0.02 0.00 0.00 177.57 177.20 1djp h PRO 3265N 0.36 0.38 -0.82 1.57 0.11 -1.83 -0.75 132.00 131.02 1djp h PRO 3265Ca 0.21 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.34 1djp h PRO 3265Cb 0.19 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 1djp h PRO 3265CO -0.20 0.25 0.52 0.00 -0.21 0.00 0.00 178.00 178.36 1djp h ALA 3266N 1.28 1.09 -0.31 -0.75 0.00 -1.79 -1.69 119.26 117.09 1djp h ALA 3266Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1djp h ALA 3266Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1djp h ALA 3266CO -0.19 0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 179.13 1djp h LEU 3267N 1.00 0.56 -0.08 0.00 4.07 -0.98 -0.69 115.31 119.20 1djp h LEU 3267Ca 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1djp h LEU 3267Cb 0.04 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1djp h LEU 3267CO -0.13 0.76 -0.03 1.56 -1.08 0.00 0.00 178.44 179.52 1djp h GLN 3268N 0.51 0.16 0.00 1.13 4.20 -0.54 -1.98 115.11 118.58 1djp h GLN 3268Ca 0.08 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1djp h GLN 3268Cb 0.61 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1djp h GLN 3268CO 0.04 0.52 -0.45 -0.56 -0.67 0.00 0.00 178.83 177.72 1djp h GLN 3269N -0.20 0.00 -0.29 1.46 3.07 -1.28 -1.00 115.11 116.87 1djp h GLN 3269Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.65 1djp h GLN 3269Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 1djp h GLN 3269CO 0.01 0.45 -0.27 -0.07 0.09 0.00 0.00 178.83 179.04 1djp h LEU 3270N 0.00 0.58 -0.19 0.06 4.07 -1.09 -1.35 115.31 117.40 1djp h LEU 3270Ca -0.00 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.64 1djp h LEU 3270Cb 0.81 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 1djp h LEU 3270CO 0.06 0.83 -0.29 -0.09 -1.08 0.00 0.00 178.44 177.87 1djp h ARG 3271N 0.50 0.52 0.00 1.13 9.65 -0.87 -1.25 114.38 124.06 1djp h ARG 3271Ca 0.07 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 1djp h ARG 3271Cb 0.72 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1djp h ARG 3271CO 0.06 0.91 -0.05 0.87 2.80 0.00 0.00 179.97 184.55 1djp h LYS 3272N 0.18 0.00 -0.35 0.20 1.57 -0.96 -1.44 116.57 115.77 1djp h LYS 3272Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1djp h LYS 3272Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1djp h LYS 3272CO 0.07 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 1djp n ASN 3273N -4.12 1.66 0.00 0.86 4.13 -0.53 -4.90 115.26 112.36 1djp n ASN 3273Ca -0.03 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.19 1djp n ASN 3273Cb 0.14 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1djp n ASN 3273CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1djp n GLY 3274N 0.87 0.52 3.68 7.41 0.00 -0.54 -5.05 105.19 112.08 1djp n GLY 3274Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1djp n GLY 3274CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1djp s THR 3275N -2.24 5.02 0.08 2.61 2.01 -0.49 -4.92 115.64 117.71 1djp s THR 3275Ca 0.00 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 1djp s THR 3275Cb 0.00 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 1djp s THR 3275CO 0.00 0.16 1.15 -1.10 -0.69 0.00 0.00 174.62 174.14 1djp s GLN 3276N 1.53 4.48 -0.35 4.92 -1.52 -0.92 -3.68 119.66 124.12 1djp s GLN 3276Ca 0.32 1.71 -0.09 0.00 -1.95 0.00 0.00 55.36 55.36 1djp s GLN 3276Cb -0.16 -3.35 0.03 0.00 -0.22 0.00 0.00 33.01 29.31 1djp s GLN 3276CO 0.13 -0.17 0.15 0.42 -0.25 0.00 0.00 175.29 175.57 1djp s ILE 3277N 0.80 4.20 -0.28 1.08 -1.09 -1.26 -1.22 121.20 123.43 1djp s ILE 3277Ca 0.56 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 1djp s ILE 3277Cb -0.28 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1djp s ILE 3277CO 0.30 -0.16 0.04 -0.63 -1.23 0.00 0.00 174.94 173.26 1djp s ILE 3278N 1.49 3.72 -0.46 2.92 1.01 -0.85 -0.89 121.20 128.14 1djp s ILE 3278Ca 0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.69 1djp s ILE 3278Cb -0.19 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.43 1djp s ILE 3278CO 0.05 0.15 0.97 -0.13 0.00 0.00 0.00 174.94 175.98 1djp s ARG 3279N 1.47 3.60 0.00 2.79 0.52 0.20 -1.02 118.95 126.51 1djp s ARG 3279Ca 0.03 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1djp s ARG 3279Cb -0.17 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.39 1djp s ARG 3279CO 0.01 -1.24 0.00 0.45 0.02 0.00 0.00 175.30 174.54 1djp n SER 3280N 7.28 1.82 -3.85 0.23 2.88 0.27 -1.07 113.62 121.19 1djp n SER 3280Ca 0.07 -0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.25 1djp n SER 3280Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1djp n SER 3280CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1djp s SER 3281N 0.30 -0.24 -0.49 -3.46 1.04 -1.26 -2.42 113.70 107.17 1djp s SER 3281Ca 0.00 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1djp s SER 3281Cb 0.00 0.72 0.49 0.00 0.10 0.00 0.00 66.02 67.33 1djp s SER 3281CO 0.00 -1.34 1.72 0.00 0.98 0.00 0.00 173.24 174.60 1djp n HIS 3282N -0.45 2.77 -3.73 5.02 1.44 -0.36 -4.27 115.22 115.64 1djp n HIS 3282Ca -0.04 -2.47 -0.28 0.00 -2.01 0.00 0.00 57.72 52.92 1djp n HIS 3282Cb 0.59 -0.96 -0.11 0.00 0.12 0.00 0.00 29.99 29.63 1djp n HIS 3282CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1djp n VAL 3283N -0.92 1.51 -0.83 0.61 0.31 -1.26 -4.96 118.33 112.78 1djp n VAL 3283Ca 0.53 -4.81 0.08 0.00 -0.01 0.00 0.00 64.34 60.13 1djp n VAL 3283Cb 0.92 -2.12 0.32 0.00 -0.91 0.00 0.00 33.84 32.06 1djp n VAL 3283CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1djp n ASN 3284N 1.76 4.65 -0.00 4.52 4.13 -1.26 -4.42 115.26 124.63 1djp n ASN 3284Ca 0.23 -2.80 -0.08 0.00 1.68 0.00 0.00 54.58 53.62 1djp n ASN 3284Cb 0.38 -0.58 -0.13 0.00 -1.54 0.00 0.00 39.78 37.91 1djp n ASN 3284CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1djp h GLN 3285N 3.06 0.00 -1.65 3.52 4.15 -1.98 -3.46 115.11 118.74 1djp h GLN 3285Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 1djp h GLN 3285Cb 1.58 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.17 1djp h GLN 3285CO 0.30 0.56 0.82 0.20 -1.93 0.00 0.00 178.83 178.79 1djp s GLY 3286N -5.02 -0.33 0.00 2.39 0.00 -1.26 -4.41 107.32 98.69 1djp s GLY 3286Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1djp s GLY 3286CO 0.82 1.32 0.00 0.61 0.00 0.00 0.00 173.10 175.85 1djp n GLY 3287N -0.58 -1.85 3.55 0.20 0.00 -1.26 -5.03 105.19 100.22 1djp n GLY 3287Ca -0.06 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1djp n GLY 3287CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1djp s PHE 3288N 0.00 -0.39 -0.22 1.61 -0.12 -1.26 -4.63 117.98 112.97 1djp s PHE 3288Ca 0.00 0.09 -0.23 0.00 -0.05 0.00 0.00 56.93 56.75 1djp s PHE 3288Cb 0.00 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 1djp s PHE 3288CO 0.00 -0.96 0.72 0.08 -0.05 0.00 0.00 175.22 175.01 1djp s VAL 3289N -3.81 4.94 -0.05 -2.49 1.01 0.11 -4.95 120.40 115.15 1djp s VAL 3289Ca 0.05 1.36 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 1djp s VAL 3289Cb -0.02 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1djp s VAL 3289CO -0.06 0.03 0.58 -0.22 0.00 0.00 0.00 175.10 175.42 1djp s LEU 3290N 2.32 4.35 0.27 3.92 0.20 -1.26 -3.93 118.68 124.55 1djp s LEU 3290Ca 0.32 1.06 -0.29 0.00 0.69 0.00 0.00 54.13 55.90 1djp s LEU 3290Cb -0.16 -2.88 -0.10 0.00 -0.43 0.00 0.00 46.19 42.63 1djp s LEU 3290CO 0.10 0.03 1.31 -0.60 -0.29 0.00 0.00 176.35 176.89 1djp s ARG 3291N 0.26 4.38 0.00 1.98 3.52 -1.26 -2.78 118.95 125.06 1djp s ARG 3291Ca 0.31 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1djp s ARG 3291Cb -0.17 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1djp s ARG 3291CO 0.15 -0.21 0.00 0.09 -0.81 0.00 0.00 175.30 174.52 1djp n ASN 3292N 1.73 -3.49 -0.01 -2.12 3.02 -1.22 -4.90 115.26 108.28 1djp n ASN 3292Ca 0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1djp n ASN 3292Cb 0.42 -2.04 -0.00 0.00 -0.61 0.00 0.00 39.78 37.55 1djp n ASN 3292CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djp h ALA 3293N 0.00 -0.03 0.00 5.41 0.00 -1.91 -3.41 119.26 119.32 1djp h ALA 3293Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1djp h ALA 3293Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1djp h ALA 3293CO 0.00 -0.03 -0.99 0.93 0.00 0.00 0.00 179.25 179.16 1djp h GLU 3294N -0.29 0.00 -3.66 0.00 4.39 -1.81 -3.47 114.58 109.75 1djp h GLU 3294Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1djp h GLU 3294Cb 0.01 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 28.44 1djp h GLU 3294CO 0.00 0.82 -0.58 -0.65 -1.16 0.00 0.00 179.01 177.44 1djp s GLN 3295N -2.76 0.35 -1.07 2.33 -1.52 -1.26 -4.87 119.66 110.86 1djp s GLN 3295Ca 0.01 -0.35 -0.22 0.00 -1.95 0.00 0.00 55.36 52.85 1djp s GLN 3295Cb 0.09 0.14 0.01 0.00 -0.22 0.00 0.00 33.01 33.03 1djp s GLN 3295CO 0.81 -0.07 1.71 -1.25 -0.25 0.00 0.00 175.29 176.24 1djp s PRO 3296N -1.09 3.23 0.40 2.91 0.04 -1.26 -3.44 135.00 135.79 1djp s PRO 3296Ca -0.12 -1.08 0.13 0.00 0.04 0.00 0.00 61.00 59.97 1djp s PRO 3296Cb -0.07 -5.30 0.84 0.00 0.04 0.00 0.00 34.50 30.01 1djp s PRO 3296CO 0.00 -2.80 1.90 -0.44 0.04 0.00 0.00 177.00 175.71 1djp h ASP 3297N 9.74 0.03 -0.03 6.66 3.32 -1.89 -1.39 116.42 132.87 1djp h ASP 3297Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1djp h ASP 3297Cb 0.97 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1djp h ASP 3297CO 1.35 0.30 -0.05 0.44 -1.72 0.00 0.00 179.24 179.56 1djp h ASP 3298N 0.03 0.09 -0.30 6.45 3.32 -1.86 0.50 116.42 124.65 1djp h ASP 3298Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.53 1djp h ASP 3298Cb 0.49 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1djp h ASP 3298CO 0.04 0.62 0.14 0.50 -1.72 0.00 0.00 179.24 178.81 1djp h LYS 3299N -0.44 0.28 -0.00 3.56 3.64 -1.93 -2.85 116.57 118.82 1djp h LYS 3299Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1djp h LYS 3299Cb 0.60 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1djp h LYS 3299CO 0.01 0.19 -0.33 0.09 -2.27 0.00 0.00 179.45 177.14 1djp n ASN 3300N -4.98 0.81 -3.18 4.20 3.02 -0.53 -4.97 115.26 109.63 1djp n ASN 3300Ca -0.00 -0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 53.74 1djp n ASN 3300Cb 0.08 0.16 0.08 0.00 -0.61 0.00 0.00 39.78 39.49 1djp n ASN 3300CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1djp n ASP 3301N -0.96 -2.68 -4.96 6.41 4.64 0.12 -4.98 116.55 114.14 1djp n ASP 3301Ca 0.10 -0.54 -0.19 0.00 -1.38 0.00 0.00 54.79 52.78 1djp n ASP 3301Cb 0.34 -4.61 -0.01 0.00 -1.04 0.00 0.00 41.12 35.80 1djp n ASP 3301CO 0.00 0.00 0.00 0.26 -0.82 0.00 0.00 177.20 176.64 1djp s TRP 3302N -3.31 2.99 -0.03 -0.67 0.51 0.13 -4.80 118.94 113.76 1djp s TRP 3302Ca 0.09 -0.29 0.07 0.00 -2.12 0.00 0.00 56.10 53.85 1djp s TRP 3302Cb -0.04 -2.04 -0.02 0.00 -0.81 0.00 0.00 33.47 30.56 1djp s TRP 3302CO 0.65 -0.06 -0.24 0.08 -0.51 0.00 0.00 176.95 176.87 1djp s VAL 3303N -2.25 2.21 -0.12 4.03 1.01 -0.07 -4.72 120.40 120.51 1djp s VAL 3303Ca 0.46 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1djp s VAL 3303Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1djp s VAL 3303CO 0.30 0.58 0.09 -0.69 0.00 0.00 0.00 175.10 175.38 1djp s VAL 3304N -0.56 5.05 -2.12 2.92 1.01 -1.26 0.61 120.40 126.04 1djp s VAL 3304Ca 0.08 0.04 0.18 0.00 0.00 0.00 0.00 61.98 62.28 1djp s VAL 3304Cb -0.11 -3.19 0.44 0.00 0.00 0.00 0.00 36.38 33.53 1djp s VAL 3304CO -0.00 0.60 1.55 0.00 0.00 0.00 0.00 175.10 177.25 1djp n ALA 3305N 2.20 2.55 -0.94 5.51 0.00 -0.23 -4.85 120.51 124.74 1djp n ALA 3305Ca -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1djp n ALA 3305Cb 0.54 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1djp n ALA 3305CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1djp n HIS 3306N -0.17 0.00 1.01 0.00 -0.00 -1.25 -2.20 115.22 112.61 1djp n HIS 3306Ca 0.14 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.42 1djp n HIS 3306Cb 0.20 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.01 1djp n HIS 3306CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1djp n ASP 3307N 9.85 1.16 -4.74 0.26 3.85 -1.26 0.06 116.55 125.72 1djp n ASP 3307Ca 0.00 -1.04 -0.41 0.00 -0.71 0.00 0.00 54.79 52.62 1djp n ASP 3307Cb 0.00 0.83 -0.03 0.00 -1.35 0.00 0.00 41.12 40.57 1djp n ASP 3307CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1djp s LEU 3308N -2.89 4.39 0.96 -2.12 1.43 -0.93 -4.94 118.68 114.58 1djp s LEU 3308Ca 0.11 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.64 1djp s LEU 3308Cb 0.17 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.94 1djp s LEU 3308CO 0.79 -0.65 1.12 0.54 0.23 0.00 0.00 176.35 178.39 1djp s ASN 3309N 0.42 3.02 0.17 2.29 2.20 -1.26 -4.65 114.94 117.14 1djp s ASN 3309Ca 0.59 1.02 -0.19 0.00 -0.94 0.00 0.00 52.86 53.34 1djp s ASN 3309Cb -0.40 -1.61 0.10 0.00 -2.00 0.00 0.00 41.25 37.34 1djp s ASN 3309CO 0.40 -2.86 1.64 -0.65 -2.94 0.00 0.00 177.10 172.69 1djp h PRO 3310N -1.71 -0.11 -0.01 3.55 0.11 -1.96 0.11 132.00 131.97 1djp h PRO 3310Ca -0.52 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1djp h PRO 3310Cb 1.33 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1djp h PRO 3310CO 0.59 -0.07 -0.25 1.05 -0.21 0.00 0.00 178.00 179.11 1djp h GLU 3311N -0.11 0.02 -0.05 1.05 9.09 -1.96 -1.10 114.58 121.52 1djp h GLU 3311Ca 0.20 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.51 1djp h GLU 3311Cb 0.42 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1djp h GLU 3311CO -0.48 0.27 -0.32 0.87 0.05 0.00 0.00 179.01 179.41 1djp h LYS 3312N 0.02 0.30 -0.82 1.06 1.79 -1.77 -3.00 116.57 114.15 1djp h LYS 3312Ca 0.00 -0.26 0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1djp h LYS 3312Cb 0.46 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 1djp h LYS 3312CO 0.03 0.92 0.54 0.00 -1.08 0.00 0.00 179.45 179.86 1djp h ALA 3313N 0.39 1.69 -0.31 3.86 0.00 -0.49 -1.88 119.26 122.52 1djp h ALA 3313Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1djp h ALA 3313Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1djp h ALA 3313CO 0.07 0.15 0.08 -0.09 0.00 0.00 0.00 179.25 179.46 1djp h ARG 3314N 0.81 0.50 -0.35 0.00 2.43 -1.20 -0.69 114.38 115.89 1djp h ARG 3314Ca 0.37 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1djp h ARG 3314Cb 0.38 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1djp h ARG 3314CO -0.14 0.56 0.18 0.82 -1.51 0.00 0.00 179.97 179.87 1djp h ILE 3315N 0.34 0.99 -0.57 1.20 1.08 -1.24 -0.48 117.51 118.84 1djp h ILE 3315Ca 0.10 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1djp h ILE 3315Cb 0.29 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1djp h ILE 3315CO 0.00 0.07 -0.04 0.25 -0.69 0.00 0.00 178.15 177.74 1djp h LEU 3316N 0.36 0.99 0.10 1.44 5.85 -1.26 -2.58 115.31 120.20 1djp h LEU 3316Ca 0.14 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1djp h LEU 3316Cb 0.05 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1djp h LEU 3316CO -0.10 1.06 -0.05 0.00 -0.34 0.00 0.00 178.44 179.02 1djp h ALA 3317N 1.03 -0.13 -0.25 1.25 0.00 -0.75 0.06 119.26 120.47 1djp h ALA 3317Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1djp h ALA 3317Cb 0.58 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1djp h ALA 3317CO 0.03 -0.57 -0.20 0.52 0.00 0.00 0.00 179.25 179.03 1djp h MET 3318N -0.13 -0.19 -0.12 0.00 2.86 -0.99 -1.47 114.93 114.90 1djp h MET 3318Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1djp h MET 3318Cb 0.10 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1djp h MET 3318CO 0.02 -0.12 0.04 0.28 1.06 0.00 0.00 176.91 178.18 1djp h VAL 3319N -0.19 1.18 -0.74 -2.22 2.07 -1.36 -3.17 116.25 111.81 1djp h VAL 3319Ca 0.14 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1djp h VAL 3319Cb 0.41 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1djp h VAL 3319CO -0.37 0.16 0.49 0.00 0.02 0.00 0.00 177.57 177.88 1djp h ALA 3320N 0.85 1.55 0.00 1.67 0.00 -0.73 -2.19 119.26 120.42 1djp h ALA 3320Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djp h ALA 3320Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1djp h ALA 3320CO -0.00 0.38 0.00 -1.33 0.00 0.00 0.00 179.25 178.30 1djp n MET 3321N -4.45 0.05 0.00 0.00 2.81 -0.57 -1.35 117.12 113.60 1djp n MET 3321Ca 0.09 0.26 0.15 0.00 -1.81 0.00 0.00 57.70 56.40 1djp n MET 3321Cb 0.11 -1.59 0.82 0.00 -0.71 0.00 0.00 33.22 31.85 1djp n MET 3321CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1djp n THR 3322N -1.68 0.00 0.00 2.03 -2.24 -0.82 -3.89 114.28 107.68 1djp n THR 3322Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1djp n THR 3322Cb 0.21 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1djp n THR 3322CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1djp n LYS 3323N -0.67 2.40 -3.67 -0.78 4.81 -0.73 -5.08 118.16 114.44 1djp n LYS 3323Ca 0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.52 1djp n LYS 3323Cb 0.19 -0.80 -0.08 0.00 0.02 0.00 0.00 35.03 34.36 1djp n LYS 3323CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1djp s THR 3324N -1.45 0.00 -0.39 3.15 -1.32 -0.46 -5.00 115.64 110.17 1djp s THR 3324Ca 0.00 -0.02 0.12 0.00 -1.21 0.00 0.00 61.69 60.58 1djp s THR 3324Cb 0.00 -0.80 0.32 0.00 -1.51 0.00 0.00 72.50 70.51 1djp s THR 3324CO 0.00 -0.01 1.25 1.67 -2.21 0.00 0.00 174.62 175.32 1djp n GLN 3325N 2.58 2.66 -3.14 7.08 0.00 -1.26 -3.97 117.38 121.33 1djp n GLN 3325Ca -0.14 -2.30 -0.40 0.00 -0.00 0.00 0.00 57.00 54.16 1djp n GLN 3325Cb 0.56 -1.45 -0.06 0.00 0.00 0.00 0.00 30.24 29.30 1djp n GLN 3325CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1djp s ASP 3326N -1.60 6.75 0.25 1.69 3.68 -1.26 -4.98 116.67 121.19 1djp s ASP 3326Ca 0.27 0.90 0.01 0.00 2.13 0.00 0.00 52.55 55.86 1djp s ASP 3326Cb 0.20 -2.35 0.31 0.00 -1.45 0.00 0.00 42.92 39.62 1djp s ASP 3326CO 0.09 -0.19 1.64 0.28 0.13 0.00 0.00 175.17 177.11 1djp h SER 3327N 7.20 0.49 -0.14 -0.34 0.02 -1.94 -0.10 113.55 118.74 1djp h SER 3327Ca -0.35 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.26 1djp h SER 3327Cb 1.16 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1djp h SER 3327CO 0.77 0.83 -0.36 0.11 -1.14 0.00 0.00 176.83 177.03 1djp h LYS 3328N 0.39 0.65 -0.00 3.45 1.79 -1.95 0.33 116.57 121.24 1djp h LYS 3328Ca 0.04 -0.31 -0.17 0.00 -2.18 0.00 0.00 60.65 58.02 1djp h LYS 3328Cb 0.85 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1djp h LYS 3328CO 0.07 0.91 -0.81 0.93 -1.08 0.00 0.00 179.45 179.48 1djp h GLU 3329N 0.55 0.05 -0.40 3.15 4.39 -1.95 -2.04 114.58 118.33 1djp h GLU 3329Ca 0.05 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1djp h GLU 3329Cb 0.87 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1djp h GLU 3329CO 0.08 0.83 -0.31 1.25 -1.16 0.00 0.00 179.01 179.70 1djp h LEU 3330N 0.03 0.91 -0.64 1.33 5.85 -0.76 -1.42 115.31 120.61 1djp h LEU 3330Ca -0.02 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1djp h LEU 3330Cb 1.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1djp h LEU 3330CO 0.11 1.14 0.10 -0.61 -0.34 0.00 0.00 178.44 178.85 1djp h GLN 3331N 0.74 1.06 -0.50 1.25 5.75 -0.80 -1.56 115.11 121.04 1djp h GLN 3331Ca 0.08 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1djp h GLN 3331Cb 0.87 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1djp h GLN 3331CO 0.08 0.98 0.09 -0.09 -2.65 0.00 0.00 178.83 177.24 1djp h ARG 3332N 0.97 0.77 -0.40 1.69 1.12 -1.18 -2.56 114.38 114.80 1djp h ARG 3332Ca 0.19 -0.16 -0.12 0.00 -1.11 0.00 0.00 59.98 58.78 1djp h ARG 3332Cb 0.44 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 1djp h ARG 3332CO 0.01 0.72 -0.24 0.82 -3.11 0.00 0.00 179.97 178.17 1djp h ILE 3333N 0.74 1.27 0.00 1.20 2.04 -0.84 -2.51 117.51 119.41 1djp h ILE 3333Ca 0.16 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1djp h ILE 3333Cb 0.32 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1djp h ILE 3333CO 0.00 0.46 0.00 0.49 0.00 0.00 0.00 178.15 179.10 1djp n PHE 3334N -4.10 0.44 0.90 1.37 3.72 -0.63 -1.87 117.46 117.29 1djp n PHE 3334Ca -0.00 0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.66 1djp n PHE 3334Cb 0.45 -0.77 -0.04 0.00 -0.94 0.00 0.00 39.48 38.18 1djp n PHE 3334CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1djp n TRP 3335N -1.90 0.00 -0.01 1.38 8.01 -0.98 -4.56 117.44 119.38 1djp n TRP 3335Ca 0.03 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1djp n TRP 3335Cb 0.23 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.50 1djp n TRP 3335CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1djp n GLU 3336N -0.51 2.12 0.00 -0.99 1.02 -1.01 -5.06 120.64 116.20 1djp n GLU 3336Ca 0.07 -0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1djp n GLU 3336Cb 0.38 -1.10 0.07 0.00 -0.02 0.00 0.00 31.44 30.77 1djp n GLU 3336CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97